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1

Roll-to-Roll Solution-Processible Small-Molecule OLEDs  

SciTech Connect

The objective of this program is to develop key knowledge and make critical connections between technologies needed to enable low-cost manufacturing of OLED lighting products. In particular, the program was intended to demonstrate the feasibility of making high performance Small-Molecule OLEDs (SM-OLED) using a roll-to-roll (R2R) wet-coating technique by addressing the following technical risks (1) Whether the wet-coating technique can provide high performance OLEDs, (2) Whether SM-OLED can be made in a R2R manner, (3) What are the requirements for coating equipment, and (4) Whether R2R OLEDs can have the same performance as the lab controls. The program has been managed and executed according to the Program Management Plan (PMP) that was first developed at the beginning of the program and further revised accordingly as the program progressed. Significant progress and risk reductions have been accomplished by the end of the program. Specific achievements include: (1) Demonstrated that wet-coating can provide OLEDs with high LPW and long lifetime; (2) Demonstrated R2R OLEDs can be as efficient as batch controls (Figure 1) (3) Developed & validated basic designs for key equipment necessary for R2R SM-OLEDs; (4) Developed know-hows & specifications on materials & ink formulations critical to wetcoating; (5) Developed key R2R processes for each OLED layer (6) Identified key materials and components such as flexible barrier substrates necessary for R2R OLEDs.

Liu, Jie Jerry

2012-07-31T23:59:59.000Z

2

Solution processable organic polymers and small molecules for bulk?heterojunction solar cells: A review  

Science Journals Connector (OSTI)

Solution processed bulk heterojunction (BHJ) organic solar cells (OSCs) have gained wide interest in past few years and are established as one of the leading next generation photovoltaic technologies for low cost power production. Power conversion efficiencies up to 6% and 6.5% have been reported in the literature for single layer and tandem solar cells respectively using conjugated polymers. A recent record efficiency about 8.13% with active area of 1.13 cm 2 has been reported. However Solution processable small molecules have been widely applied for photovoltaic (PV) devices in recent years because they show strong absorption properties and they can be easily purified and deposited onto flexible substrates at low cost. Introducing different donor and acceptor groups to construct donor—acceptor (D—A) structure small molecules has proved to be an efficient way to improve the properties of organic solar cells (OSCs). The power conversion efficiency about 4.4 % has been reported for OSCs based on the small molecules. This review deals with the recent progress of solution processable D—A structure small molecules and discusses the key factors affecting the properties of OSCs based on D—A structure small molecules: sunlight absorption charge transport and the energy level of the molecules.

G. D. Sharma

2011-01-01T23:59:59.000Z

3

Efficient solution-processed small molecule: Cadmium selenide quantum dot bulk heterojunction solar cells  

SciTech Connect

We report bulk heterojunction solar cells based on blends of solution-processed small molecule [7,7?-(4,4-bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b?]dithiophene-2,6-diyl) bis(6-fluoro-4-(5?-hexyl-[2,2?-bithiophen]-5yl)benzo[c] [1,2,5] thiadiazole)] p-DTS(FBTTh{sub 2}){sub 2}: Cadmium Selenide (CdSe) (70:30, 60:40, 50:50, and 40:60) in the device configuration: Indium Tin Oxide /poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS)/p-DTS(FBTTh{sub 2}){sub 2}: CdSe/Ca/Al. The optimized ratio of p-DTS(FBTTh{sub 2}){sub 2}:CdSe::60:40 leads to a short circuit current density (J{sub sc})?=?5.45?mA/cm{sup 2}, open circuit voltage (V{sub oc})?=?0.727?V, and fill factor (FF)?=?51%, and a power conversion efficiency?=?2.02% at 100 mW/cm{sup 2} under AM1.5G illumination. The J{sub sc} and FF are sensitive to the ratio of p-DTS(FBTTh{sub 2}){sub 2}:CdSe, which is a crucial factor for the device performance.

Gupta, Vinay, E-mail: drvinaygupta@netscape.net [Physics of Energy Harvesting Division, Organic and Hybrid Solar Cell Group, CSIR-National Physical Laboratory, New Delhi-110012 (India) [Physics of Energy Harvesting Division, Organic and Hybrid Solar Cell Group, CSIR-National Physical Laboratory, New Delhi-110012 (India); Department of Physics, University of California, Santa Barbara, California 93106 (United States); Upreti, Tanvi; Chand, Suresh [Physics of Energy Harvesting Division, Organic and Hybrid Solar Cell Group, CSIR-National Physical Laboratory, New Delhi-110012 (India)] [Physics of Energy Harvesting Division, Organic and Hybrid Solar Cell Group, CSIR-National Physical Laboratory, New Delhi-110012 (India)

2013-12-16T23:59:59.000Z

4

Vehicle Technologies Office Merit Review 2014: Roll-to-Roll Electrode...  

Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

Roll-to-Roll Electrode Processing NDE for Advanced Lithium Secondary Batteries Vehicle Technologies Office Merit Review 2014: Roll-to-Roll Electrode Processing NDE for Advanced...

5

Enhancing the Performance of Solution-Processed Bulk-Heterojunction Solar Cells Using Hydrogen-Bonding-Induced Self-Organization of Small Molecules  

Science Journals Connector (OSTI)

Small-molecule solar-cell performance is highly sensitive to the crystallinity and intermolecular connectivity of the molecules. In order to enhance the crystallinity for the solution-processed small molecule, it is possible to make use of carboxylic acid ...

Kwan Hang Lam; Thelese Ru Bao Foong; Zi En Ooi; Jie Zhang; Andrew Clive Grimsdale; Yeng Ming Lam

2013-11-11T23:59:59.000Z

6

Roll-to-Roll Electrode Processing and Materials NDE for Advanced...  

Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

Merit Review 2014: Roll-to-Roll Electrode Processing NDE for Advanced Lithium Secondary Batteries In-situ characterization and diagnostics of mechanical degradation in electrodes...

7

Design and manufacturing of high precision roll-to-roll multilayer printing machine -- machine upgrade  

E-Print Network (OSTI)

In 2008, a group of MIT Master of Engineering students built a roll to roll machine for printing thiol onto a flexible gold substrate by self-assembly. The machine demonstrated good performance in high speed printing (400 ...

Zhu, Yufei

2009-01-01T23:59:59.000Z

8

Comparative study on triphenylamine-based bi-armed and four-armed small molecule donors for solution processed organic solar cells  

Science Journals Connector (OSTI)

Abstract A novel four-armed triphenylamine (TPA)-based molecule named (TPATh)4TPA2B with 4,7-bis(4-diphenylaminophenyl)-2,1,3-benzothiadiazole unit as the central building block and triphenylamine-3-dodecylthiophene unit as the arms and a bi-armed TPA-based molecule named (TPATh)2(MTPA)2B with the same central building block and arms as those of (TPATh)4TPA2B were designed and synthesized by Pd-catalyzed Stille reaction. The thermal stability, photophysical and electrochemical properties of these small molecules are studied. Moreover, they are evaluated in solution processed bulk-heterojunction organic solar cells (OSCs). The device performances of the \\{OSCs\\} based on these small molecule donors and [6,6]-phenyl-C71-butyric acid methyl ester (PC71BM) were studied. With the same core, the four-armed molecule has the higher absorption and better miscibility with PC71BM than that of bi-armed molecule, while the bi-armed molecule (TPATh)2(MTPA)2B has the higher hole mobility. The power conversion efficiency of the \\{OSCs\\} based on (TPATh)4TPA2B as donor and PC71BM as acceptor is 1.3% with open-circuit voltage 0.71 V.

Hongyu Zhen; Zuosheng Peng; Lintao Hou; Tao Jia; Qi Li; Qiong Hou

2015-01-01T23:59:59.000Z

9

Roll-to-Roll Nanomanufacturing Processes and Applications to Display and Solar Cell Devices  

E-Print Network (OSTI)

Roll-to-Roll Nanomanufacturing Processes and Applications to Display and Solar Cell Devices% enhanced the power efficiency in organic solar cells as compared with devices made by ITO. BIOGRAPHY L. Jay related to nanotechnologies and photonics, including symposium chair of two MRS topical conferences

Keaveny, Tony

10

Vehicle Technologies Office Merit Review 2014: Roll-to-Roll Electrode Processing NDE for Advanced Lithium Secondary Batteries  

Energy.gov (U.S. Department of Energy (DOE))

Presentation given by Oak Ridge National Laboratory at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about roll-to-roll...

11

Continuous roll-to-roll a-Si photovoltaic manufacturing technology  

SciTech Connect

This report describes work performed by ECD to advance its roll-to-roll, triple-junction photovoltaic manufacturing technologies; to reduce the module production costs; to increase the stabilized module performance; and to expand the commercial capacity utilizing ECD technology. The 3-year goal is to develop advanced large-scale manufacturing technology incorporating ECD's earlier research advances with the capability of producing modules with stable 11% efficiency at a cost of approximately $1/W[sub p]. Major efforts during Phase I are (1) the optimization of the high-performance back-reflector system, (2) the optimization of a-Si-Ge narrow band-gap solar cell, and (3) the optimization of the stable efficiency of the module. The goal is to achieve a stable 8% efficient 0.3-m [times] 1.2-m (1-ft [times] 4-ft) module. Also, the efforts include work on a proprietary, high-deposition-rate, microwave plasma, CVD manufacturing technology; and on the investigation of material cost reduction.

Izu, M. (Energy Conversion Devices, Inc., Troy, MI (United States))

1993-04-01T23:59:59.000Z

12

Continuous roll-to-roll amorphous silicon photovoltaic manufacturing technology. Semiannual subcontract report, 1 April 1993--30 September 1993  

SciTech Connect

This report describes work for this reporting period under a 3-year program to advance Energy Conversion Device`s (ECD) roll-to-roll, triple-junction photovoltaic (PV) manufacturing technologies, to reduce the module production costs, to increase the stabilized module performance, and to expand commercial production capacity utilizing ECD technology. The specific 3-year goal is to develop advanced large-scale manufacturing technology incorporating ECD`s earlier research advances with the capability of producing modules with stable 11% efficiency at a cost of approximately $1.00 per peak watt. Major accomplishments during this reporting period include (1) the design, construction. amd testomg of a continuous roll-to-roll multipurpose amorphous silicon alloy solar cell deposition machine that incorporates improvements necessary to obtain higher efficiency solar cells; (2) development of a photothermal deflection spectroscopy (PDS) technique for evaluating back-reflector systems; (3) the development of an improved textured Ag/ZnO back-reflector system demonstrating 25% gain in J{sub sc} over previous textured Al back-reflector systems; and (4) the design of a serpentine web continuous roll-to-roll deposition chamber.

Izu, M. [Energy Conversion Devices, Inc., Troy, MI (United States)] [Energy Conversion Devices, Inc., Troy, MI (United States)

1994-06-01T23:59:59.000Z

13

Design and development of high precision elastomeric-stamp wrapping system for roll-to-roll multi-layer microcontact printing  

E-Print Network (OSTI)

Microcontact printing is an emerging printing technique that could potentially find application in the electronics industry. High-speed roll-to-roll equipment was built at Nano Terra, Inc in 2008, for microcontact printing. ...

Datar, Charudatta Achyut

2009-01-01T23:59:59.000Z

14

Direct and precise measurement of displacement and velocity of flexible web in roll-to-roll manufacturing systems  

SciTech Connect

Interest in the production of printed electronics using a roll-to-roll system has gradually increased due to its low mass-production costs and compatibility with flexible substrate. To improve the accuracy of roll-to-roll manufacturing systems, the movement of the web needs to be measured precisely in advance. In this paper, a novel measurement method is developed to measure the displacement and velocity of the web precisely and directly. The proposed algorithm is based on the traditional single field encoder principle, and the scale grating has been replaced with a printed grating on the web. Because a printed grating cannot be as accurate as a scale grating in a traditional encoder, there will inevitably be variations in pitch and line-width, and the motion of the web should be measured even though there are variations in pitch and line-width in the printed grating patterns. For this reason, the developed algorithm includes a precise method of estimating the variations in pitch. In addtion, a method of correcting the Lissajous curve is presented for precision phase interpolation to improve measurement accuracy by correcting Lissajous circle to unit circle. The performance of the developed method is evaluated by simulation and experiment. In the experiment, the displacement error was less than 2.5 ?m and the velocity error of 1? was about 0.25%, while the grating scale moved 30 mm.

Kang, Dongwoo; Lee, Eonseok; Choi, Young-Man; Lee, Taik-Min [Advanced Manufacturing Systems Research Division, Korea Institute of Machinery and Materials, 156 Gajeongbuk-Ro, Yuseong-Gu, Daejeon 305-343 (Korea, Republic of)] [Advanced Manufacturing Systems Research Division, Korea Institute of Machinery and Materials, 156 Gajeongbuk-Ro, Yuseong-Gu, Daejeon 305-343 (Korea, Republic of); Kim, Duk Young [Nano-Opto-Mechatronics Lab., Dept. of Mechanical Eng., KAIST, 335 Gwahangno, Yuseong-Gu, Daejeon 305-701 (Korea, Republic of)] [Nano-Opto-Mechatronics Lab., Dept. of Mechanical Eng., KAIST, 335 Gwahangno, Yuseong-Gu, Daejeon 305-701 (Korea, Republic of); Kim, Dongmin [Korea Research Institute of Standards and Science, 267 Gajeong-Ro, Yuseong-Gu, Daejeon 305-340 (Korea, Republic of)] [Korea Research Institute of Standards and Science, 267 Gajeong-Ro, Yuseong-Gu, Daejeon 305-340 (Korea, Republic of)

2013-12-15T23:59:59.000Z

15

In situ monitoring of structure formation in the active layer of polymer solar cells during roll-to-roll coating  

SciTech Connect

The active layer crystallization during roll-to-roll coating of organic solar cells is studied in situ. We developed an X-ray setup where the coater unit is an integrated part of the small angle X-ray scattering instrument, making it possible to control the coating process while recording scattering measurements in situ, enabling us to follow the crystal formation during drying. By varying the distance between the coating head and the point where the X-ray beam hits the film, we obtained measurements of 4 different stages of drying. For each of those stages, the scattering from as long a foil as possible is summed together, with the distance from coating head to scattering point kept constant. The results are average crystallographic properties for the active layer coated on a 30 m long foil. With this insight into the dynamics of crystallization in a roll-coated polymer film, we find that the formation of textured and untextured crystallites seems uncorrelated, and happens at widely different rates. Untextured P3HT crystallites form later in the drying process than expected which may explain previous studies speculating that untextured crystallization depends on concentration. Textured crystallites, however, begin forming much earlier and steadily increases as the film dries, showing a development similar to other in situ studies of these materials.

Rossander, Lea H.; Zawacka, Natalia K.; Dam, Henrik F.; Krebs, Frederik C.; Andreasen, Jens W., E-mail: jewa@dtu.dk [Department of Energy Conversion and Storage, Technical University of Denmark, Frederiksborgvej 399, DK-4000 (Denmark)

2014-08-15T23:59:59.000Z

16

ITO-free organic solar cells with roll-to-roll coated organic functional layers from non-halogenated solvents  

Science Journals Connector (OSTI)

Abstract This work reports on indium tin oxide (ITO)-free organic solar cells with roll to roll (R2R) processed organic functional layers. The device stack comprises a chromium–aluminum–chromium (Cr–Al–Cr) electron contact layer on a polyethylene terephthalate (PET) film, a photoactive layer of poly(3-hexylthiophene) (P3HT): (6,6)-phenyl C61 butyric acid methyl ester (PCBM), a hole transport layer of Poly(3,4-ethylenedioxythiophene) poly(styrenesulfonate) (PEDOT:PSS) and a silver (Ag) grid for current collection. For the photoactive layer the non-halogenated solvent o-Xylene was used in order to reduce the impact on health and environment for R2R coating on ambient atmospheric conditions. The Cr–Al–Cr layers were sputtered onto the PET rolls in a batch process while the photoactive layer as well as the hole transport layer were applied in a continuous R2R process by slot die coating. The Ag grid was either thermally evaporated through a shadow mask as reference process or deposited by aerosol printing as a more production compatible process. Device efficiencies up to 2.9% on an active area of 1.1 cm2 were obtained with no difference for the method of grid processing. These experimental results demonstrate that R2R coated organic functional layers in ITO-free devices obtain the same device performance as compared to spin coated laboratory cells.

Deepak Kaduwal; Hans-Frieder Schleiermacher; Jan Schulz-Gericke; Thomas Kroyer; Birger Zimmermann; Uli Würfel

2014-01-01T23:59:59.000Z

17

Continuous roll-to-roll a-Si photovoltaic manufacturing technology. Annual subcontractor report, 1 April 1992--31 March 1993  

SciTech Connect

This report describes work done under a 3-year program to advance ECD`s roll-to-roll, triple-junction photovoltaic manufacturing technologies, to reduce the module production costs, to increase the stabilized module performance, and to expand commercial capacity utilizing ECD technology. The specific 3-year goal is to develop advanced large-scale manufacturing technology incorporating ECD`s earlier research advances with the capability of producing modules with stable 11% efficiency at a cost of approximately $1.00 per peak watt. Accomplishments during Phase 1 included: (1) ECD successfully incorporated a high-performance Ag/metal-oxide back-reflector system into its continuous roll-to-roll commercial production operation. (2) High-quality a-Si-Ge narrow-band-gap solar cells were incorporated into the manufacturing. (3) ECD demonstrated the continuous roll-to-roll production of high-efficiency, triple-junction, two-band-gap solar cells consistently and uniformly throughout a 762-m (2500-ft) run with high yield. (4) ECD achieved 11.1% initial sub-cell efficiency of triple-junction, two-band-gap a-Si alloy solar cells in the production line. (5) The world`s first 0.37-m{sup 2} (4-ft{sup 2}) PV modules were produced utilizing triple-junction spectrum-splitting solar cells manufactured in the production line. (6) As a result of process optimization to reduce the layer thickness and to improve the gas utilization, ECD achieved a 77% material cost reduction for germane and 58% reduction for disilane. Additionally, ECD developed a new low-cost module that saves approximately 30% in assembly material costs.

Izu, M. [Energy Conversion Devices, Inc., Troy, MI (United States)

1993-12-01T23:59:59.000Z

18

Synthetic investigation of small-molecule probes.  

E-Print Network (OSTI)

??A series of small molecules was synthesized to probe three protein targets in order to elucidate the key small molecule-protein interactions required for potency. Triclosan… (more)

Bromba, Caleb

2012-01-01T23:59:59.000Z

19

Allosteric Modulation of DNA by Small Molecules  

NLE Websites -- All DOE Office Websites (Extended Search)

Allosteric Modulation of DNA by Small Allosteric Modulation of DNA by Small Molecules Signals originating at the cell surface are conveyed by a complex system of interconnected signaling pathways to the nucleus. They converge at transcription factors, which in turn regulate the transcription of sets of genes that result in the gene expression. Many human diseases are caused by dysregulated gene expression and the oversupply of transcription factors may be required for the growth and metastatic behavior of human cancers. Cell permeable small molecules that can be programmed to disrupt transcription factor-DNA interfaces could silence aberrant gene expression pathways. Pyrrole-imidazole polyamides are DNA minor groove binding small molecules that are programmable for a large repertoire of DNA motifs.

20

Solution-processed silver nanowires as a transparent conducting electrode for air-stable inverted organic solar cells  

Science Journals Connector (OSTI)

Abstract Highly efficient and air-stable inverted organic solar cells (IOSCs) were fabricated using solution-processed silver nanowire electrodes. The electrodes showed a low sheet resistance of ~ 16 ? sq? 1 and a high transmittance of ~ 95% at a wavelength of 550 nm. A solution-processed ZnO buffer layer is typically used for electron transport and effective passivation of the surface of Ag NW electrodes. The device performance of the \\{IOSCs\\} that used these Ag NW electrodes, which were fabricated on a glass or plastic substrate, was > 94% of that of devices containing indium tin oxide (ITO) electrodes. This indicates that solution-processed Ag NW electrode can replace commercialized ITO and can be utilized in roll-to-roll and large-area fabrication processes.

Myungkwan Song; Jong-Kuk Kim; Shi-Young Yang; Jae-Wook Kang

2014-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


21

Adsorption of small molecules on graphene  

Science Journals Connector (OSTI)

We investigate the adsorption process of small molecules on graphene through first-principles calculations and show the presence of two main charge transfer mechanisms. Which mechanism is the dominant one depends on the magnetic properties of the adsorbing ... Keywords: Adsorption, Graphene

O. Leenaerts; B. Partoens; F. M. Peeters

2009-04-01T23:59:59.000Z

22

Disordered binding of small molecules to A12-28 DISORDERED BINDING OF SMALL MOLECULES TO A12-28  

E-Print Network (OSTI)

.vitalis@bioc.uzh.ch. Keywords: Alzheimer's disease; intrinsically disordered proteins; molecular dynamics; protein aggregation of Alzheimer's amyloid- protein in subtle but complex fashion. Conclusion: Intrinsic disorder of diseaseDisordered binding of small molecules to A12-28 DISORDERED BINDING OF SMALL MOLECULES TO A12

Caflisch, Amedeo

23

Comparison of light out-coupling enhancements in single-layer blue-phosphorescent organic light emitting diodes using small-molecule or polymer hosts  

SciTech Connect

Single-layer blue phosphorescence organic light emitting diodes (OLEDs) with either small-molecule or polymer hosts are fabricated using solution process and the performances of devices with different hosts are investigated. The small-molecule device exhibits luminous efficiency of 14.7?cd/A and maximum power efficiency of 8.39?lm/W, which is the highest among blue phosphorescence OLEDs with single-layer solution process and small molecular hosts. Using the same solution process for all devices, comparison of light out-coupling enhancement, with brightness enhancement film (BEF), between small-molecule and polymer based OLEDs is realized. Due to different dipole orientation and anisotropic refractive index, polymer-based OLEDs would trap less light than small molecule-based OLEDs internally, about 37% better based simulation results. In spite of better electrical and spectroscopic characteristics, including ambipolar characteristics, higher carrier mobility, higher photoluminescence quantum yield, and larger triplet state energy, the overall light out-coupling efficiency of small molecule-based devices is worse than that of polymer-based devices without BEF. However, with BEF for light out-coupling enhancement, the improved ratio in luminous flux and luminous efficiency for small molecule based device is 1.64 and 1.57, respectively, which are significantly better than those of PVK (poly-9-vinylcarbazole) devices. In addition to the theoretical optical simulation, the experimental data also confirm the origins of differential light-outcoupling enhancement. The maximum luminous efficiency and power efficiency are enhanced from 14.7?cd/A and 8.39?lm/W to 23?cd/A and 13.2?lm/W, respectively, with laminated BEF, which are both the highest so far for single-layer solution-process blue phosphorescence OLEDs with small molecule hosts.

Chang, Yung-Ting [Institute of Chemistry, Academia Sinica, Taipei, Taiwan 11529, Taiwan (China); Department of Electrical Engineering, Graduate Institute of Photonics and Optoelectronics, National Taiwan University, Taipei, Taiwan 10617, Taiwan (China); Liu, Shun-Wei [Department of Electronic Engineering, Mingchi University of Technology, New Taipei, Taiwan 24301, Taiwan (China); Yuan, Chih-Hsien; Lee, Chih-Chien [Department of Electronic Engineering, National Taiwan University of Science and Technology, Taipei, Taiwan 10607, Taiwan (China); Ho, Yu-Hsuan; Wei, Pei-Kuen [Research Center for Applied Science Academia Sinica, Taipei, Taiwan 11527, Taiwan (China); Chen, Kuan-Yu [Chilin Technology Co., LTD, Tainan City, Taiwan 71758, Taiwan (China); Lee, Yi-Ting; Wu, Min-Fei; Chen, Chin-Ti, E-mail: cchen@chem.sinica.edu.tw, E-mail: chihiwu@cc.ee.ntu.edu.tw [Institute of Chemistry, Academia Sinica, Taipei, Taiwan 11529, Taiwan (China); Wu, Chih-I, E-mail: cchen@chem.sinica.edu.tw, E-mail: chihiwu@cc.ee.ntu.edu.tw [Department of Electrical Engineering, Graduate Institute of Photonics and Optoelectronics, National Taiwan University, Taipei, Taiwan 10617, Taiwan (China)

2013-11-07T23:59:59.000Z

24

CX-001152: Categorical Exclusion Determination  

Energy.gov (U.S. Department of Energy (DOE))

Roll-to-Roll Solution-Processable Small-Molecule Organic Light-Emitting Diodes (Niskayuna)CX(s) Applied: B3.6Date: 03/11/2010Location(s): Niskayuna, New YorkOffice(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory

25

Interfacial processes in small molecule organic solar cells  

Science Journals Connector (OSTI)

This paper presents an overview of the recent progress of small molecule organic solar cells mainly based on the previous works of ... mainly focus on the interfacial processes in the cells. The dissociation of e...

WenBin Li; QunLiang Song; XiaoYu Sun…

2010-02-01T23:59:59.000Z

26

Small-Molecule Inhibition of TNF-alpha  

NLE Websites -- All DOE Office Websites (Extended Search)

Small-Molecule Inhibition of TNF-alpha Tumour necrosis factor is a polypeptide cytokine involved in inflammation and the acute phase response. TNF-alpha is present in larger quantities in persons with rheumatoid arthritis or Crohn's disease. Direct inhibition of TNF-a by the commercial biological agents etanercept (Enbrel), infliximab (Remicade), adalimumab (Humira), has produced significant advances in rheumatoid arthritis treatment and validated the extra-cellular inhibition of this proinflammatory cytokine as an effective therapy. However, despite considerable incentives, viable leads for analogous small-molecule inhibitors of TNF-a have not been reported (1). Such drugs with attendant advantages in manufacturing, patient accessibility, administration, and compliance would represent a major advance in the treatment of TNF-a mediated diseases.

27

Two-color studies of autoionizing states of small molecules  

SciTech Connect

Two-color, resonantly enhanced multiphoton ionization is proving to be a valuable technique for the study of autoionizing states of small molecules. In this talk, results obtained by combining REMPI, photoelectron spectroscopy, and mass spectrometry will be discussed and will be illustrated by examples from our recent studies of rotational and vibrational autoionization in molecular hydrogen and rotational autoionization in nitric oxide. 2 refs., 1 fig.

Pratt, S.T.; Dehmer, P.M.; Dehmer, J.L.; Tomkins, F.S.; O'Halloran, M.A.

1989-01-01T23:59:59.000Z

28

Polymer and small molecule based hybrid light source  

DOE Patents (OSTI)

An organic electroluminescent device, includes: a substrate; a hole-injecting electrode (anode) coated over the substrate; a hole injection layer coated over the anode; a hole transporting layer coated over the hole injection layer; a polymer based light emitting layer, coated over the hole transporting layer; a small molecule based light emitting layer, thermally evaporated over the polymer based light emitting layer; and an electron-injecting electrode (cathode) deposited over the electroluminescent polymer layer.

Choong, Vi-En (Carlsbad, CA); Choulis, Stelios (Nuremberg, DE); Krummacher, Benjamin Claus (Regensburg, DE); Mathai, Mathew (Monroeville, PA); So, Franky (Gainesville, FL)

2010-03-16T23:59:59.000Z

29

Covalent stabilization of a small moleculeRNA complex Hayden Peacock, Radhika Bachu, Peter A. Beal  

E-Print Network (OSTI)

Covalent stabilization of a small molecule­RNA complex Hayden Peacock, Radhika Bachu, Peter A. Beal

Beal, Peter A.

30

Laser Coulomb-explosion imaging of small molecules  

SciTech Connect

We use intense few-cycle laser pulses to ionize molecules to the point of Coulomb explosion. We use Coulomb's law or ab initio potentials to reconstruct the molecular structure of D{sub 2}O and SO{sub 2} from the correlated momenta of exploded fragments. For D{sub 2}O, a light and fast system, we observed about 0.3 A and 15 deg. deviation from the known bond length and bond angle. By simulating the Coulomb explosion for equilibrium geometry, we showed that this deviation is mainly caused by ion motion during ionization. Measuring three-dimensional structure with half bond length resolution is sufficient to observe large-scale rearrangements of small molecules such as isomerization processes.

Legare, F. [National Research Council of Canada, 100 Sussex Drive, Ottawa, Ontario, K1A 0R6 (Canada); Departement de Chimie, Universite de Sherbrooke, Sherbrooke, Quebec, J1K 2R1 (Canada); Lee, Kevin F.; Dooley, P.W. [National Research Council of Canada, 100 Sussex Drive, Ottawa, Ontario, K1A 0R6 (Canada); Department of Physics and Astronomy, McMaster University, Hamilton, Ontario, L8S 4M1 (Canada); Litvinyuk, I.V. [Department of Physics, Kansas State University, Manhattan, Kansas 66506 (United States); Wesolowski, S.S.; Bunker, P.R.; Villeneuve, D.M.; Corkum, P.B. [National Research Council of Canada, 100 Sussex Drive, Ottawa, Ontario, K1A 0R6 (Canada); Dombi, P.; Krausz, F. [Technische Universitaet Wien, Vienna (Austria); Bandrauk, A.D. [Departement de Chimie, Universite de Sherbrooke, Sherbrooke, Quebec, J1K 2R1 (Canada)

2005-01-01T23:59:59.000Z

31

Categorical Exclusion Determinations: National Energy Technology Laboratory  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

1, 2010 1, 2010 CX-001158: Categorical Exclusion Determination An Evaluation of the Carbon Sequestration Potential of the Cambro-Ordovician Strata of the Illinois and Michigan Basins CX(s) Applied: A9 Date: 03/11/2010 Location(s): Bloomington, Indiana Office(s): Fossil Energy, National Energy Technology Laboratory March 11, 2010 CX-001153: Categorical Exclusion Determination Roll-to-Roll Solution-Processable Small-Molecule Organic Light-Emitting Diodes (Wilmington) Date: 03/11/2010 Location(s): Wilmington, Delaware Office(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory March 11, 2010 CX-001152: Categorical Exclusion Determination Roll-to-Roll Solution-Processable Small-Molecule Organic Light-Emitting Diodes (Niskayuna) CX(s) Applied: B3.6

32

Categorical Exclusion (CX) Determinations By Date | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

1, 2010 1, 2010 CX-001158: Categorical Exclusion Determination An Evaluation of the Carbon Sequestration Potential of the Cambro-Ordovician Strata of the Illinois and Michigan Basins CX(s) Applied: A9 Date: 03/11/2010 Location(s): Bloomington, Indiana Office(s): Fossil Energy, National Energy Technology Laboratory March 11, 2010 CX-001153: Categorical Exclusion Determination Roll-to-Roll Solution-Processable Small-Molecule Organic Light-Emitting Diodes (Wilmington) Date: 03/11/2010 Location(s): Wilmington, Delaware Office(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory March 11, 2010 CX-001152: Categorical Exclusion Determination Roll-to-Roll Solution-Processable Small-Molecule Organic Light-Emitting Diodes (Niskayuna) CX(s) Applied: B3.6

33

Page not found | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

51 - 11960 of 28,560 results. 51 - 11960 of 28,560 results. Download CX-001152: Categorical Exclusion Determination Roll-to-Roll Solution-Processable Small-Molecule Organic Light-Emitting Diodes (Niskayuna) CX(s) Applied: B3.6 Date: 03/11/2010 Location(s): Niskayuna, New York Office(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory http://energy.gov/nepa/downloads/cx-001152-categorical-exclusion-determination Download CX-001153: Categorical Exclusion Determination Roll-to-Roll Solution-Processable Small-Molecule Organic Light-Emitting Diodes (Wilmington) Date: 03/11/2010 Location(s): Wilmington, Delaware Office(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory http://energy.gov/nepa/downloads/cx-001153-categorical-exclusion-determination

34

Categorical Exclusion (CX) Determinations By Date | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

1, 2010 1, 2010 CX-001153: Categorical Exclusion Determination Roll-to-Roll Solution-Processable Small-Molecule Organic Light-Emitting Diodes (Wilmington) Date: 03/11/2010 Location(s): Wilmington, Delaware Office(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory March 11, 2010 CX-001152: Categorical Exclusion Determination Roll-to-Roll Solution-Processable Small-Molecule Organic Light-Emitting Diodes (Niskayuna) CX(s) Applied: B3.6 Date: 03/11/2010 Location(s): Niskayuna, New York Office(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory March 11, 2010 CX-001169: Categorical Exclusion Determination Pre-Combustion Carbon Dioxide Capture by a New Dual-Phase Ceramic Carbonate Membrane Reactor CX(s) Applied: B3.6

35

E-Print Network 3.0 - applied small molecule Sample Search Results  

NLE Websites -- All DOE Office Websites (Extended Search)

monolayers... .2.2 Deposition of Molecules For the investigation of the transport through small molecules such as hydro- gen... for several reasons. First, it strongly chemisorbs...

36

PubChem: Integrated Platform of Small Molecules and Biological Activities Evan E. Bolton1  

E-Print Network (OSTI)

PubChem: Integrated Platform of Small Molecules and Biological Activities Evan E. Bolton1 , Yanli organizations. PubChem provides a significant, publicly accessible platform for mining the biological information of small molecules. Keywords Database, repository, chemical structures, assay, biological activity

Levin, Judith G.

37

Group specific internal standard technology (GSIST) for simultaneous identification and quantification of small molecules  

DOE Patents (OSTI)

Reagents and methods are provided that permit simultaneous analysis of multiple diverse small molecule analytes present in a complex mixture. Samples are labeled with chemically identical but isotopically distince forms of the labeling reagent, and analyzed using mass spectrometry. A single reagent simultaneously derivatizes multiple small molecule analytes having different reactive functional groups.

Adamec, Jiri; Yang, Wen-Chu; Regnier, Fred E

2014-01-14T23:59:59.000Z

38

Small molecule inhibitors of glycogen synthase kinase-3 beta modulate radioprotection in developing hippocampus  

Science Journals Connector (OSTI)

...CA Small molecule inhibitors of glycogen synthase kinase-3 beta modulate radioprotection in developing hippocampus Dinesh Kumar Thotala Dennis Hallahan Eugenia Yazlovitskaya Vanderbilt University, Nashville, TN 98th AACR Annual Meeting-- Apr...

Dinesh Kumar Thotala; Dennis Hallahan; and Eugenia Yazlovitskaya

2007-05-01T23:59:59.000Z

39

PROTEINS: Structure,Function, and Genetics 1:109-115 (1986) Protein Fluorescence Quenchingby Small Molecules  

E-Print Network (OSTI)

by a molecular dynamics simulation12 which displayed an extreme dependence of protein penetration rate Molecules: Protein Penetration Versus Solvent Exposure DorothyB. Calhoun,' Jane M. Vanderkooi,' Gary R the thesis that acrylamide and similar small molecules can penetrate into proteins on a nanosecond time scale

Englander, S. Walter

40

Small Molecules That Recapitulate the Early Steps of Urodele Amphibian Limb Regeneration and Confer Multipotency  

Science Journals Connector (OSTI)

Small Molecules That Recapitulate the Early Steps of Urodele Amphibian Limb Regeneration and Confer Multipotency ... In urodele amphibians, an early step in limb regeneration is skeletal muscle fiber dedifferentiation into a cellulate that proliferates to contribute new limb tissue. ... Pluripotency is defined as the ability of a cell population to differentiate into the three germ layers (endoderm, mesoderm, and ectoderm) and their differentiated derivatives. ...

Woong-Hee Kim; Da-Woon Jung; Jinmi Kim; Sin-Hyeog Im; Seung Yong Hwang; Darren R. Williams

2012-01-23T23:59:59.000Z

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


41

Development of chiral LC-MS methods for small molecules and their applications i  

Office of Scientific and Technical Information (OSTI)

chiral LC-MS methods for small molecules and their applications i chiral LC-MS methods for small molecules and their applications i n the analysis of enantiomeric composition and pharmacokinetic studies Meera Jay Desai A dissertation submitted to the graduate faculty in partial fulfillment of the requirements for the degree of DOCTOR OF PHILOSOPHY Major: Analytical Chemistry Program of Study Committee: Daniel W. Armstrong, Major Professor Edward S. Yeung Robsrt S. Houk Victor S.-Y. Lin Gregory Phillips Iowa State University Ames, Iowa 2004 .. 11 Graduate College Iowa State University This is to certify that the doctoral dissertation of Meera Jay Desai has met the dissertation requirement of Iowa State University Major Professor ,&I w4/< For e Major Program ... 1 1 1 This dissertation i s Adicated tu Mypurt?ntsl for taking a chance on a better lge for themselves and their chilhen

42

Structural Analysis of a Novel Small Molecule Ligand Bound to the CXCL12 Chemokine  

Science Journals Connector (OSTI)

Emmanuel W. Smith †, Yan Liu ‡, Anthony E. Getschman §, Francis C. Peterson §, Joshua J. Ziarek §, Rongshi Li *‡, Brian F. Volkman *§, and Yu Chen *† ... Ziarek, J. J.; Liu, Y.; Smith, E.; Zhang, G.; Peterson, F. C.; Chen, J.; Yu, Y.; Chen, Y.; Volkman, B. F.; Li, R.Fragment-based optimization of small molecule CXCL12 inhibitors for antagonizing the CXCL12/CXCR4 interaction Curr. ... Ziarek, Joshua J.; Liu, Yan; Smith, Emmanuel; Zhang, Guolin; Peterson, Francis C.; Chen, Jun; Yu, Yongping; Chen, Yu; Volkman, Brian F.; Li, Rongshi ...

Emmanuel W. Smith; Yan Liu; Anthony E. Getschman; Francis C. Peterson; Joshua J. Ziarek; Rongshi Li; Brian F. Volkman; Yu Chen

2014-10-30T23:59:59.000Z

43

Using Light-Induced Thermocleavage in a Roll-to-Roll Process for Polymer Solar Cells  

Science Journals Connector (OSTI)

In addn., tandem or multi-junction solar cells offer the distinct advantage that photon energy is used more efficiently, because the voltage at which charges are collected in each subcell is closer to the energy of the photons absorbed in that cell. ... The entire process leading to polymer solar cells is broken down into the individual steps and the available techniques and materials for each step are described with focus on the particular advantages and disadvantages assocd. ...

Frederik C. Krebs; Kion Norrman

2010-03-01T23:59:59.000Z

44

Roll-to-Roll Electrode Processing and Materials NDE for Advanced Lithium Secondary Batteries  

Energy.gov (U.S. Department of Energy (DOE))

2012 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting

45

Development of Low Band Gap Polymers for Roll-to-Roll Coated Polymer Solar Cell Modules  

Science Journals Connector (OSTI)

Organic photovoltaics (OPV) have the potential for low production cost. Additionally, there has been an increase in both efficiency and stability of small-area OPV devices prepared in research laboratories wor...

Eva Bundgaard; Frederik Krebs

2011-01-01T23:59:59.000Z

46

Precision control of cylindrical stamp contact in a continuous roll-to-roll microcontact printing machine  

E-Print Network (OSTI)

Microcontact printing is a form of soft lithography that uses a molded elastomeric stamp to print patterns with micron and sub-micron scale features. This is an effective low-cost technique for replicating master patterns ...

Libert, Adam M. (Adam Marcus)

2014-01-01T23:59:59.000Z

47

Roll-to-Roll Electrode Processing and Materials NDE for Advanced Lithium Secondary Batteries  

Energy.gov (U.S. Department of Energy (DOE))

2013 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting

48

Roll-to-Roll Electrode Processing NDE for Advanced Lithium Secondary...  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Merit Review, June 18, 2014 Summary * Objective: This project facilitates lowering unit energy cost of EVs and PHEVs by addressing the electrode scrap rate, QC enhancement,...

49

Roll-to-Roll Electrode Processing and Materials NDE for Advanced...  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Merit Review, May 14, 2013 Summary * Objective: this project facilitates lowering unit energy cost of EVs and PHEVs by addressing the electrode scrap rate, QC enhancement, and...

50

Roll-to-Roll Electrode Processing and Materials NDE for Advanced...  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

by UT-Battelle for the U.S. Department of Energy May 17, 2012 Thickness Measurement on Patch Coated Electrode (Continuous Scanning) (a) (b) (a) (b) ridge on the foil -0.02 0 0.02...

51

Roll-to-Roll Electrode Processing and Materials NDE for Advanced...  

Energy Savers (EERE)

and Materials NDE for Advanced Lithium Secondary Batteries 2013 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation...

52

Simulation of a small molecule analogue of a lithium ionomer in an external electric field  

SciTech Connect

We have investigated the ion dynamics in lithium-neutralized 2-pentylheptanoic acid, a small molecule analogue of a precise poly(ethylene-co-acrylic acid) lithium ionomer. Atomistic molecular dynamics simulations were performed in an external electric field. The electric field causes alignment of the ionic aggregates along the field direction. The energetic response of the system to an imposed oscillating electric field for a wide range of frequencies was tracked by monitoring the coulombic contribution to the energy. The susceptibility found in this manner is a component of the dielectric susceptibility typically measured experimentally. A dynamic transition is found and the frequency associated with this transition varies with temperature in an Arrhenius manner. The transition is observed to be associated with rearrangements of the ionic aggregates.

Waters, Sara M.; McCoy, John D., E-mail: mccoy@nmt.edu; Brown, Jonathan R. [Department of Materials Engineering, New Mexico Institute of Mining and Technology, Socorro, New Mexico 87801 (United States)] [Department of Materials Engineering, New Mexico Institute of Mining and Technology, Socorro, New Mexico 87801 (United States); Frischknecht, Amalie L. [Sandia National Laboratories, Albuquerque, New Mexico 87185 (United States)] [Sandia National Laboratories, Albuquerque, New Mexico 87185 (United States)

2014-01-07T23:59:59.000Z

53

Effective Absorption Enhancement in Small Molecule Organic Solar Cells by Employing Trapezoid Gratings  

E-Print Network (OSTI)

We demonstrate the optical absorption has been enhanced in the small molecule organic solar cells by employing trapezoid grating structure. The enhanced absorption is mainly attributed to both waveguide modes and surface plasmon modes, which has been simulated by using finite-difference time-domain method. The simulated results show that the surface plasmon along the semitransparent metallic Ag anode is excited by introducing the periodical trapezoid gratings, which induce high intensity field increment in the donor layer. Meanwhile, the waveguide modes result a high intensity field in acceptor layer. The increment of field improves the absorption of organic solar cells, significantly, which has been demonstrated by simulating the electrical properties. The simulated results exhibiting 31 % increment of the short-circuit current has been achieved in the optimized device, which is supported by the experimental measurement. The power conversion efficiency of the grating sample obtained in experiment exhibits an...

Chun-Ping, Xiang; Yu, Jin; Bin-Zong, Xu; Wei-Min, Wang; Xin, Wei; Guo-Feng, Song; Yun, Xu

2013-01-01T23:59:59.000Z

54

Novel small molecule induces p53-dependent apoptosis in human colon cancer cells  

SciTech Connect

Using high-throughput screening with small-molecule libraries, we identified a compound, KCG165 [(2-(3-(2-(pyrrolidin-1-yl)ethoxy)-1,10b-dihydro-[1,2,4]triazolo[1,5-c] quinazolin-5(6H)-one)], which strongly activated p53-mediated transcriptional activity. KCG165-induced phosphorylations of p53 at Ser{sup 6}, Ser{sup 15}, and Ser{sup 20}, which are all key residues involved in the activation and stabilization of p53. Consistent with these findings, KCG165 increased level of p53 protein and led to the accumulation of transcriptionally active p53 in the nucleus with the increased occupancy of p53 in the endogenous promoter region of its downstream target gene, p21{sup WAF1/CIP}. Notably, KCG165-induced p53-dependent apoptosis in cancer cells. Furthermore, we suggested topoisomerase II as the molecular target of KCG165. Together, these results indicate that KCG165 may have potential applications as an antitumor agent.

Park, Sang Eun [Drug Discovery Division, Korea Research Institute of Chemical Technology, 100 Jang-dong, Yuseong-gu, Daejeon 305-600 (Korea, Republic of); Min, Yong Ki [Drug Discovery Division, Korea Research Institute of Chemical Technology, 100 Jang-dong, Yuseong-gu, Daejeon 305-600 (Korea, Republic of); Ha, Jae Du [Drug Discovery Division, Korea Research Institute of Chemical Technology, 100 Jang-dong, Yuseong-gu, Daejeon 305-600 (Korea, Republic of); Kim, Bum Tae [Drug Discovery Division, Korea Research Institute of Chemical Technology, 100 Jang-dong, Yuseong-gu, Daejeon 305-600 (Korea, Republic of); Lee, Woo Ghil [Drug Discovery Division, Korea Research Institute of Chemical Technology, 100 Jang-dong, Yuseong-gu, Daejeon 305-600 (Korea, Republic of)]. E-mail: bigguy@krict.re.kr

2007-07-06T23:59:59.000Z

55

Highly Sensitive in Vitro Selections for DNA-Linked Synthetic Small Molecules with Protein Binding Affinity and Specificity  

E-Print Network (OSTI)

Highly Sensitive in Vitro Selections for DNA-Linked Synthetic Small Molecules with Protein Binding oligonucleotides to corresponding synthetic molecules, either as a consequence of DNA-templated organic synthesis3 or as a result of conjugating DNA to synthetic molecules, in theory enables synthetic molecules to satisfy

Liu, David R.

56

Inhibitors of Leishmania GDP-Mannose Pyrophosphorylase Identified by High-Throughput Screening of Small-Molecule Chemical Library  

Science Journals Connector (OSTI)

...copy of the compound library and retested in triplicate...is a critical global public health priority. Leishmania...small-molecule chemical library of 80,000 drug-like...design of the chemical library being that lead-like...better cover diversity space. We have commented in...

Kurt Lackovic; John P. Parisot; Nerida Sleebs; Jonathan B. Baell; Laurent Debien; Keith G. Watson; Joan M. Curtis; Emanuela Handman; Ian P. Street; Lukasz Kedzierski

2010-02-16T23:59:59.000Z

57

Reactivity of low-valent nickel-1,3-BIS (o-Diphenylphosphinophenylthio) propane (arom-PSSP) with small molecules  

E-Print Network (OSTI)

The reactivity of NiO(arom-PSSP) with small molecules was studied in comparison to the reactivity of NIO(PSSP) which was studied by previous members of our group. The low-valent nickel atom in this arom-PSSP ligand exhibited reactivity toward small...

Kang, Jeehee

2012-06-07T23:59:59.000Z

58

Epigenetic Reactivation of Tumor Suppressor Genes by a Novel Small-Molecule Inhibitor of Human DNA Methyltransferases  

Science Journals Connector (OSTI)

...Small-Molecule Inhibitor of Human DNA Methyltransferases Bodo Brueckner 1 Regine Garcia Boy 1 2 Pawel Siedlecki 3 4 Tanja Musch 1...genes in human cancer cells. Nature 2002;416:552-6. 12 Brueckner B, Lyko F. DNA methyltransferase inhibitors: old and new...

Bodo Brueckner; Regine Garcia Boy; Pawel Siedlecki; Tanja Musch; H. Christian Kliem; Piotr Zielenkiewicz; Sandor Suhai; Manfred Wiessler; Frank Lyko

2005-07-15T23:59:59.000Z

59

The Generality of DNA-Templated Synthesis as a Basis for Evolving Non-Natural Small Molecules  

E-Print Network (OSTI)

a variety of reaction types (SN2 substitutions, additions to R, -unsaturated carbonyl systems, and additions to direct chemical reactions sequence-specifically in a manner much more general than has been reported thus of synthetic small molecules unrelated in structure to the DNA backbone in one-pot, parallel reactions. We

Liu, David R.

60

Solution-Processed Solar Cells using Colloidal Quantum Dots ...  

NLE Websites -- All DOE Office Websites (Extended Search)

of solar cells and light sensors based on solution-processed semiconductors." He is a Fellow of the IEEE "... for contributions to colloidal quantum dot optoelectronic devices."...

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


61

Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor-ligand complex  

Science Journals Connector (OSTI)

The identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor-ligand complex are reported.

Andersen, J.L.

2014-01-29T23:59:59.000Z

62

All-small-molecule efficient white organic light-emitting diodes by multi-layer blade coating  

E-Print Network (OSTI)

Letter All-small-molecule efficient white organic light-emitting diodes by multi-layer blade-molecule organic light-emitting diodes are fabricated by multi-layer blade coating on hot plate at 80 °C with hot.3 lm/W). Orange emitter iridium(III)bis (4-(4-t-butylphenyl) thie- no[3,2-c]pyridinato-N,C20

Meng, Hsin-Fei

63

Vertical morphology in solution-processed organic solar cells  

Science Journals Connector (OSTI)

Motivated by a report of an all-solution processed P3HT/PCBM ‘bilayer’ organic solar cell, we have investigated the vertical morphology by using a combination of...

Lee, Kwan H; Schwenn, Paul E; Smith, Arthur R G; Cavaye, Hamish; Shaw, Paul E; James, Michael; Krueger, Karsten B; Gentle, Ian R; Meredith, Paul; Burn, Paul L

64

Influence of the Position of the Side Chain on Crystallization and Solar Cell Performance of DPP-Based Small Molecules  

Science Journals Connector (OSTI)

Three isomeric ?-conjugated molecules based on diketopyrrolopyrrole and bithiophene (DPP2T) substituted with hexyl side chains in different positions are investigated for use in solution-processed organic solar cells. ... Solution-processed organic photovoltaic cells are considered to be a viable option in meeting the future global energy demand when high efficiencies can be combined with fast printing production techniques. ... solar cell based on merocyanine dyes - traditional colorants that can easily be mass-produced and purified - is presented. ...

Veronique S. Gevaerts; Eva M. Herzig; Mindaugas Kirkus; Koen H. Hendriks; Martijn M. Wienk; Jan Perlich; Peter Müller-Buschbaum; René A. J. Janssen

2013-12-12T23:59:59.000Z

65

Design, Synthesis, and Biological Evaluation of Highly Potent Small Molecule–Peptide Conjugates as New HIV-1 Fusion Inhibitors  

Science Journals Connector (OSTI)

Among them, conjugates Aoc??Ala–P26 and Noc??Ala–P26 exhibited a low nanomolar IC50 in the cell–cell fusion assay and effectively inhibited T20-sensitive and -resistant HIV-1 strains. ... (15) Although C-peptide fusion inhibitors are very potent at inhibiting HIV-1 infection, appearance of T20-resisitant strains, high production cost, and lack of oral bioavailability hinder its further development; thus, these drawbacks have led to a blooming discovery of small molecule fusion inhibitors targeting the gp41 fusion intermediate. ...

Chao Wang; Weiguo Shi; Lifeng Cai; Lu Lu; Qian Wang; Tianhong Zhang; Jinglai Li; Zhenqing Zhang; Kun Wang; Liang Xu; Xifeng Jiang; Shibo Jiang; Keliang Liu

2013-03-04T23:59:59.000Z

66

Surface-supported Ag islands stabilized by a quantum size effect: Their interaction with small molecules relevant to ethylene epoxidation  

SciTech Connect

This dissertation focuses on how QSE-stabilized, surface-supported Ag nanoclusters will interact with ethylene or oxygen. Experiments are performed to determine whether the QSE-mediated Ag islands react differently toward adsorption of ethylene or oxygen, or whether the adsorption of these small molecules will affect the QSE-mediated stability of Ag islands. Studies of the interaction of oxygen with Ag/Si(111)-7×7 were previously reported, but these studies were performed at a low Ag coverage where 3D Ag islands were not formed. So the study of such a system at a higher Ag coverage will be a subject of this work. The interaction of ethylene with Ag/Si(111)-7×7, as well as the interaction of oxygen with Ag/NiAl(110) are also important parts of this study.

Shao, Dahai

2013-05-15T23:59:59.000Z

67

Design and development of a roll-to-roll machine for continuous high-speed microcontact printing  

E-Print Network (OSTI)

Microcontact printing ([mu]CP) is an emerging technique for patterning micro-scale features for electronics, optics, surface modifications, and a variety of other applications. Its many advantages over traditional techniques ...

Stagnaro, Adam

2008-01-01T23:59:59.000Z

68

Identification of small-molecule binding pockets in the soluble monomeric form of the A?42 peptide  

Science Journals Connector (OSTI)

The aggregation of intrinsically disordered peptides and proteins is associated with a wide range of highly debilitating neurological and systemic disorders. In this work we explored the potential of a structure-based drug discovery procedure to target one such system the soluble monomeric form of the A?42 peptide. We utilised for this purpose a set of structures of the A?42 peptide selected from clusters of conformations within an ensemble generated by molecular dynamics simulations. Using these structures we carried out fragment mapping calculations to identify binding “hot spots” on the monomeric form of the A?42 peptide. This procedure provided a set of hot spots with ligand efficiencies comparable to those observed for structured proteins and clustered into binding pockets. Such binding pockets exhibited a propensity to bind small molecules known to interact with the A?42 peptide. Taken together these results provide an initial indication that fragment-based drug discovery may represent a potential therapeutic strategy for diseases associated with the aggregation of intrinsically disordered proteins.

Michele Vendruscolo

2013-01-01T23:59:59.000Z

69

Small molecules activators of the Nrf2-HO-1 antioxidant axis modulate heme metabolism and inflammation in BV2 microglia cells  

E-Print Network (OSTI)

1 Small molecules activators of the Nrf2-HO-1 antioxidant axis modulate heme metabolism, 16163 Genova, Italy d Department of Clinical and Molecular Biomedicine, Section of Pharmacology-associated protein-1; INF- , interferon- ISL, isoliquiritigenin; LPS, lipopolysaccharide; Nrf2, HF-E2 p45-related

Boyer, Edmond

70

Actinide solution processing at the Rocky Flats Environmental Technology Site  

SciTech Connect

The Department of Energy (DOE) has prepared an Environmental Assessment (EA), DOE/EA-1039, for radioactive solution removal and processing at Rocky Flats Environmental Technology Site, Golden, Colorado. The proposal for solution removal and processing is in response to independent safety assessments and an agreement with the State of Colorado to remove mixed residues at Rocky Flats and reduce the risk of future accidents. Monthly public meetings were held during the scoping and preparation of the EA. The scope of the EA included evaluations of alternative methods and locations of solution processing. A comment period from February 20, 1995 through March 21, 1995 was provided to the public and the State of Colorado to offer written comment on the EA. Comments were received from the State of Colorado and the U.S. Environmental Protection Agency. A response to the agency comments is included in the Final EA.

NONE

1995-04-01T23:59:59.000Z

71

Page not found | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

61 - 6270 of 29,416 results. 61 - 6270 of 29,416 results. Download CX-001153: Categorical Exclusion Determination Roll-to-Roll Solution-Processable Small-Molecule Organic Light-Emitting Diodes (Wilmington) Date: 03/11/2010 Location(s): Wilmington, Delaware Office(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory http://energy.gov/nepa/downloads/cx-001153-categorical-exclusion-determination Download CX-001158: Categorical Exclusion Determination An Evaluation of the Carbon Sequestration Potential of the Cambro-Ordovician Strata of the Illinois and Michigan Basins CX(s) Applied: A9 Date: 03/11/2010 Location(s): Bloomington, Indiana Office(s): Fossil Energy, National Energy Technology Laboratory http://energy.gov/nepa/downloads/cx-001158-categorical-exclusion-determination

72

Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site  

SciTech Connect

c-Abl kinase activity is regulated by a unique mechanism involving the formation of an autoinhibited conformation in which the N-terminal myristoyl group binds intramolecularly to the myristoyl binding site on the kinase domain and induces the bending of the {alpha}I helix that creates a docking surface for the SH2 domain. Here, we report a small-molecule c-Abl activator, DPH, that displays potent enzymatic and cellular activity in stimulating c-Abl activation. Structural analyses indicate that DPH binds to the myristoyl binding site and prevents the formation of the bent conformation of the {alpha}I helix through steric hindrance, a mode of action distinct from the previously identified allosteric c-Abl inhibitor, GNF-2, that also binds to the myristoyl binding site. DPH represents the first cell-permeable, small-molecule tool compound for c-Abl activation.

Yang, Jingsong; Campobasso, Nino; Biju, Mangatt P.; Fisher, Kelly; Pan, Xiao-Qing; Cottom, Josh; Galbraith, Sarah; Ho, Thau; Zhang, Hong; Hong, Xuan; Ward, Paris; Hofmann, Glenn; Siegfried, Brett; Zappacosta, Francesca; Washio, Yoshiaki; Cao, Ping; Qu, Junya; Bertrand, Sophie; Wang, Da-Yuan; Head, Martha S.; Li, Hu; Moores, Sheri; Lai, Zhihong; Johanson, Kyung; Burton, George; Erickson-Miller, Connie; Simpson, Graham; Tummino, Peter; Copeland, Robert A.; Oliff, Allen (GSKPA)

2014-10-02T23:59:59.000Z

73

1,5-Diaminonaphthalene Hydrochloride Assisted Laser Desorption/Ionization Mass Spectrometry Imaging of Small Molecules in Tissues Following Focal Cerebral Ischemia  

Science Journals Connector (OSTI)

In the present study, 1,5-naphthalenediamine (1,5-DAN) hydrochloride was prepared for matrix-assisted laser desorption/ionization (MALDI) mass spectrometry imaging (MSI) of small molecules in liver, brain, and kidneys from mice. ... Rat brains were removed and immediately frozen under ?80 °C. ... In this study, we conducted IMS on rat brains damaged by ischemic injury and detected various phospholipids that showed unique distributions between normal and damaged areas of the brain. ...

Huihui Liu; Rui Chen; Jiyun Wang; Suming Chen; Caiqiao Xiong; Jianing Wang; Jian Hou; Qing He; Ning Zhang; Zongxiu Nie; Lanqun Mao

2014-09-23T23:59:59.000Z

74

Efficient one-cycle affinity selection of binding proteins or peptides specific for a small-molecule using a T7 phage display pool  

Science Journals Connector (OSTI)

Here, we report an efficient one-cycle affinity selection using a natural-protein or random-peptide T7 phage pool for identification of binding proteins or peptides specific for small-molecules. The screening procedure involved a cuvette type 27-MHz quartz-crystal microbalance (QCM) apparatus with introduction of self-assembled monolayer (SAM) for a specific small-molecule immobilization on the gold electrode surface of a sensor chip. Using this apparatus, we attempted an affinity selection of proteins or peptides against synthetic ligand for FK506-binding protein (SLF) or irinotecan (Iri, CPT-11). An affinity selection using SLF-SAM and a natural-protein T7 phage pool successfully detected FK506-binding protein 12 (FKBP12)-displaying T7 phage after an interaction time of only 10 min. Extensive exploration of time-consuming wash and/or elution conditions together with several rounds of selection was not required. Furthermore, in the selection using a 15-mer random-peptide T7 phage pool and subsequent analysis utilizing receptor ligand contact (RELIC) software, a subset of SLF-selected peptides clearly pinpointed several amino-acid residues within the binding site of FKBP12. Likewise, a subset of Iri-selected peptides pinpointed part of the positive amino-acid region of residues from the Iri-binding site of the well-known direct targets, acetylcholinesterase (AChE) and carboxylesterase (CE). Our findings demonstrate the effectiveness of this method and general applicability for a wide range of small-molecules.

Yoichi Takakusagi; Kouji Kuramochi; Manami Takagi; Tomoe Kusayanagi; Daisuke Manita; Hiroko Ozawa; Kanako Iwakiri; Kaori Takakusagi; Yuka Miyano; Atsuo Nakazaki; Susumu Kobayashi; Fumio Sugawara; Kengo Sakaguchi

2008-01-01T23:59:59.000Z

75

Continuous Flow Liquid Microjunction Surface Sampling Probe Connected On-line with HPLC/MS for Spatially Resolved Analysis of Small Molecules and Proteins  

SciTech Connect

RATIONALE: A continuous flow liquid microjunction surface sampling probe extracts soluble material from surfaces for direct ionization and detection by MS. Demonstrated here is the on-line coupling of such a probe with HPLC/MS enabling extraction, separation and detection of small molecules and proteins from surfaces in a spatially resolved (~0.5 mm diameter spots) manner. Methods: A continuous flow liquid microjunction surface sampling probe was connected to a 6-port, 2-position valve for extract collection and injection to an HPLC column. A QTRAP 5500 hybrid triple quadrupole linear ion trap equipped with a Turbo V ion source operated in positive ESI mode was used for all experiments. System operation was tested with extraction, separation and detection of propranolol and associated metabolites from drug dosed tissues and proteins from dried sheep blood spots on paper. Results: Confirmed in the tissue were the parent drug and two different hydroxypropranolol glucuronides. The mass spectrometric response for these compounds from different locations in the liver showed an increase with increasing extraction time (5, 20 and 40 s extractions). For on-line separation and detection/identification of extracted proteins from dried sheep blood spots, two major protein peaks dominated the chromatogram and could be correlated with the expected masses for the hemoglobin and chains. Conclusions: Spatially resolved sampling, separation, and detection of small molecules and proteins from surfaces can be accomplished using a continuous flow liquid microjunction surface sampling probe coupled on-line with HPLC/MS detection.

Van Berkel, Gary J [ORNL; Kertesz, Vilmos [ORNL

2013-01-01T23:59:59.000Z

76

D-A-D structured organic molecules with diketopyrrolopyrrole acceptor unit for solution-processed organic solar cells  

Science Journals Connector (OSTI)

...for solution-processed organic solar cells Jing Zhang Chang He Zhi-Guo Zhang...in solution-processed organic solar cells (OSCs). The molecules show broad...illumination of AM1.5, 100cm2. organic solar cells|solution-processable organic...

2014-01-01T23:59:59.000Z

77

Reactive scattering of small molecules  

SciTech Connect

In an ultrahigh vacuum system equipped with an effusive molecular beam source, several molecular beam relaxation spectroscopy studies were performed on a stepped Pt(111) single crystal. Carbon monoxide adsorption/desorption was studied as a function of sulfur coverage. Sulfur adsorption at step sites was found to slightly decrease the sticking probability but strongly decrease the carbon monoxide interaction with the surface. The kinetics of desorption were characteristic of the tightest binding state accessible to the adsorbed carbon monoxide. Hydrogen atom recombination and desorption was studied following formaldehyde decomposition. The reaction was second order and the desorption proceeded by two pathways: one associated with the step sites and the other with the terraces. The activation energies for desorption were 25 and 19 kcal/mol for the steps and terraces, respectively and the pre-exponential factors were of the order 0.01 cm/sup 2//s. Adsorbed sulfur and high carbon monoxide surface coverages blocked the high energy hydrogen recombination pathway. The kinetics and mechanism of the hydrogen-oxygen reaction was studied in the temperature range 400 to 1000 K. The reaction proceeded by the sequential addition of hydrogen to oxygen, first to form hydroxyls and then to form water.

Gdowski, G.E.

1985-01-01T23:59:59.000Z

78

Including screening in van der Waals corrected density functional theory calculations: The case of atoms and small molecules physisorbed on graphene  

SciTech Connect

The Density Functional Theory (DFT)/van der Waals-Quantum Harmonic Oscillator-Wannier function (vdW-QHO-WF) method, recently developed to include the vdW interactions in approximated DFT by combining the quantum harmonic oscillator model with the maximally localized Wannier function technique, is applied to the cases of atoms and small molecules (X=Ar, CO, H{sub 2}, H{sub 2}O) weakly interacting with benzene and with the ideal planar graphene surface. Comparison is also presented with the results obtained by other DFT vdW-corrected schemes, including PBE+D, vdW-DF, vdW-DF2, rVV10, and by the simpler Local Density Approximation (LDA) and semilocal generalized gradient approximation approaches. While for the X-benzene systems all the considered vdW-corrected schemes perform reasonably well, it turns out that an accurate description of the X-graphene interaction requires a proper treatment of many-body contributions and of short-range screening effects, as demonstrated by adopting an improved version of the DFT/vdW-QHO-WF method. We also comment on the widespread attitude of relying on LDA to get a rough description of weakly interacting systems.

Silvestrelli, Pier Luigi; Ambrosetti, Alberto [Dipartimento di Fisica e Astronomia, Università di Padova, via Marzolo 8, I–35131 Padova, Italy and DEMOCRITOS National Simulation Center of the Italian Istituto Officina dei Materiali (IOM) of the Italian National Research Council (CNR), Trieste (Italy)] [Dipartimento di Fisica e Astronomia, Università di Padova, via Marzolo 8, I–35131 Padova, Italy and DEMOCRITOS National Simulation Center of the Italian Istituto Officina dei Materiali (IOM) of the Italian National Research Council (CNR), Trieste (Italy)

2014-03-28T23:59:59.000Z

79

Solution-processed infrared photovoltaic devices with >10% monochromatic internal quantum efficiency  

E-Print Network (OSTI)

, solution-cast photovoltaics are of urgent interest to realize low-cost solar cells. Polymer, polymerSolution-processed infrared photovoltaic devices with >10% monochromatic internal quantum-fullerene, and polymer-nanocrystal photovoltaics absorb light only to wavelengths as long as 750 nm, with the exception

80

Room temperature solution-processed electron transport layer for organic solar cells  

Science Journals Connector (OSTI)

Abstract We present a new recipe for a solution-processed titanium oxide (TiOx) based electron transport layer at room temperature. Due to its high chemical compatibility with all types of organic blends (semi-crystalline or amorphous) and it is good adhesion to both surfaces of glass/ITO substrate and the active layer (blend), the buffer layer is suitable for use in organic solar cell devices with conventional, inverted or multi-junction structures. The main goal of this recipe is producing with easiness an repeatable and stable precursor that will leads to titanium oxide buffer layer each time with the same quality. Since the processing of the titanium oxide layer itself does not require any initial or additional treatment before and after the coating, and can even be carried in air as well as under protective atmosphere, our room temperature solution-processed electron transport layer is highly versatile and very promising for cost effective mass production of organic solar cells.

A. Hadipour; R. Müller; P. Heremans

2013-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


81

Atomic scale investigations of the thermal and electron induced chemistry of small molecules on platinum(111) as revealed by scanning tunneling microscopy  

SciTech Connect

The work presented here can be divided into two parts: 1) an experimental and analysis section dealing with the investigation of small molecules such as methyl bromide, carbon dioxide, diatomic nitrogen, methane and methane?s photochemical derivative methyl radical adsorbed onto the Pt(111) surface, and 2) A detailed explanation of the current STM and chamber, with included designs and detailed instructions for operation and maintenance of both the STM and chamber. The investigations of the methyl bromide molecule show interesting dipole-dipole interactions on the Pt(111) surface. With a (6 x 3) lattice being described as the full monolayer that was created by overdosing and annealing to 104 K. The (6 x 3) lattice is shown to occupy top sites and three fold hollow sites on the Pt(111) surface giving rise to a very sharp and symmetrically split ?2 RAIRS mode, and the absence of the ?5 mode in RAIRS is indicative that the molecules are all aligned with their C-Br bond parallel to the surface normal. Additional sub-monolayer structures were observed that had components that were not aligned with the surface normal. The submonolayer lattices ranging from a structured 0.12 ML to a random coverages estimated at 0.20 ML, to a shift in the (6 x 3) lattice resulting in a high local line coverage of 0.33 ML. Analysis of the CO2 molecules adsorbed onto the Pt(111) surface shows that there is a preferred high temperature dosing that results in a thermodynamically stable system of a (3 x 3) lattice consisting of both horizontal and vertical molecules. The coverage of the (3 x 3) lattice of vertical molecules is 0.11 ML which can be assigned to the RAIRS peak of 2287 cm-1. The vertical molecules are seen to occupy the hollow sites within the horizontal (3 x 3) lattice. The low temperature dosage of multilayers and annealing, to 78 K, show that the (3 x 3) lattice is compressed into a lattice of (5 x 3) with some of the molecules in the unit cell that are incommensurate with the Pt(111) lattice. However, isolated unit cells of the horizontal (3 x 3) lattices remain after the compression which allows a single vertical CO2 molecule to occupy the hollow site resulting in the characteristic 2277 cm-1 peak in RAIRS. The resulting local coverage of the (5 x 3) lattice is calculated to be 0.40 ML. Methane was found to adsorb onto the Pt(111) lattice in a (?3 x ?3) configuration yielding a coverage of 0.33 ML in perfect agreement with previous coverage assignments. With a full coverage of methane adsorbed onto the crystal surface an ArF excimer laser was used to photodissociate the molecules to create methyl radicals that could be imaged by STM. After photochemical deposition of methyl radicals and annealing the surface to 175 K, the STM was used to image the surface. The methyl radical were estimated to arrange in a (?3 by ?3) lattice same as the methane, and imaged as roughly 0.4 ? high protrusions from the surface with a diameter of 5.5 ?. The last molecule that was studied, was the adsorption of diatomic nitrogen on the Pt(111) surface at a temperature of 25 K. Due to the very low desorption temperature of N2 (i.e. 46 K) and the relatively high temperature of the crystal, only chemisorbed molecules were able to be resolved. The results confirm that diatomic nitrogen binds to the top side of the Pt(111) step edge in agreement with Yates RAIRS studies, and calculations by Norskov. However, there was observed a stable cluster of molecules bound to the lower side of the step edge in a (2 x 2) lattice configuration which has previously unknown before these images and is the most likely source of the photoactivity of nitrogen molecules on the crystal surface. It is the hopes of this author that the experiments described within the dissertation lead to new and better understanding of the role that the microscopic scale structures of adsorbates on the surface play in catalysis. Also that the general information of STM design, construction and tip fabrication will be useful to all students who follow me in working

Schwendemann, Todd Charles

2006-01-01T23:59:59.000Z

82

Submitted to DOI: 10.1002/adfm.((please insert DOI)  

E-Print Network (OSTI)

O pathways hinders charge carrier collection, limiting the power conversion efficiency. 1. Introduction By combining considerable power conversion efficiencies with desirable properties such as low weight for generating renewable energy. The use of roll-to roll solution processing of devices adds to the prospects

Schmidt, Volker

83

Highly conductive p-type amorphous oxides from low-temperature solution processing  

SciTech Connect

We report solution-processed, highly conductive (resistivity 1.3-3.8 m{Omega} cm), p-type amorphous A-B-O (A = Bi, Pb; B = Ru, Ir), processable at temperatures (down to 240 Degree-Sign C) that are compatible with plastic substrates. The film surfaces are smooth on the atomic scale. Bi-Ru-O was analyzed in detail. A small optical bandgap (0.2 eV) with a valence band maximum (VBM) below but very close to the Fermi level (binding energy E{sub VBM} = 0.04 eV) explains the high conductivity and suggests that they are degenerated semiconductors. The conductivity changes from three-dimensional to two-dimensional with decreasing temperature across 25 K.

Li Jinwang [Japan Science and Technology Agency (JST), ERATO, Shimoda Nano-Liquid Process Project, 2-5-3 Asahidai, Nomi, Ishikawa 923-1211 (Japan); Green Devices Research Center, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan); Tokumitsu, Eisuke [Japan Science and Technology Agency (JST), ERATO, Shimoda Nano-Liquid Process Project, 2-5-3 Asahidai, Nomi, Ishikawa 923-1211 (Japan); Green Devices Research Center, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan); School of Materials Science, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan); Precision and Intelligence Laboratory, Tokyo Institute of Technology, 4259-R2-19 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan); Koyano, Mikio [Green Devices Research Center, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan); School of Materials Science, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan); Mitani, Tadaoki [Japan Science and Technology Agency (JST), ERATO, Shimoda Nano-Liquid Process Project, 2-5-3 Asahidai, Nomi, Ishikawa 923-1211 (Japan); Shimoda, Tatsuya [Japan Science and Technology Agency (JST), ERATO, Shimoda Nano-Liquid Process Project, 2-5-3 Asahidai, Nomi, Ishikawa 923-1211 (Japan); Green Devices Research Center, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan); School of Materials Science, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan)

2012-09-24T23:59:59.000Z

84

Interfacial Engineering for Highly Efficient-Conjugated Polymer-Based Bulk Heterojunction Photovoltaic Devices  

SciTech Connect

The aim of our proposal is to apply interface engineering approach to improve charge extraction, guide active layer morphology, improve materials compatibility, and ultimately allow the fabrication of high efficiency tandem cells. Specifically, we aim at developing: i. Interfacial engineering using small molecule self-assembled monolayers ii. Nanostructure engineering in OPVs using polymer brushes iii. Development of efficient light harvesting and high mobility materials for OPVs iv. Physical characterization of the nanostructured systems using electrostatic force microscopy, and conducting atomic force microscopy v. All-solution processed organic-based tandem cells using interfacial engineering to optimize the recombination layer currents vi. Theoretical modeling of charge transport in the active semiconducting layer The material development effort is guided by advanced computer modeling and surface/ interface engineering tools to allow us to obtain better understanding of the effect of electrode modifications on OPV performance for the investigation of more elaborate device structures. The materials and devices developed within this program represent a major conceptual advancement using an integrated approach combining rational molecular design, material, interface, process, and device engineering to achieve solar cells with high efficiency, stability, and the potential to be used for large-area roll-to-roll printing. This may create significant impact in lowering manufacturing cost of polymer solar cells for promoting clean renewable energy use and preventing the side effects from using fossil fuels to impact environment.

Alex Jen; David Ginger; Christine Luscombe; Hong Ma

2012-04-02T23:59:59.000Z

85

Solution Processed Tungsten Oxide Interfacial Layer for Efficient Hole-Injection in Quantum Dot Light-Emitting Diodes  

E-Print Network (OSTI)

2/2014 Solution Processed Tungsten Oxide Interfacial Layer for Efficient Hole-Injection in Quantum Layer for Efficient Hole-Injection in Quantum Dot Light- Emitting Diodes Xuyong Yang, Evren Mutlugun-based devices, the organic interfacial buffer layers have inferior thermal stability. Efforts to replace PEDOT

Demir, Hilmi Volkan

86

Solution-Processed Organic Solar Cells with Power Conversion Efficiencies of 2.5% using Benzothiadiazole/Imide-Based Acceptors  

E-Print Network (OSTI)

Solution-Processed Organic Solar Cells with Power Conversion Efficiencies of 2.5% using achieved 0.1% power-conversion efficiency. KEYWORDS: organic electronics, solar cells, photovoltaic devices significantly different behav- iors in bulk heterojunction (BHJ) solar cells using poly(3-hexylthiophene) (P3HT

McGehee, Michael

87

Laser Direct Writing Organic Small Molecule Luminophores  

E-Print Network (OSTI)

security � Renewables � Solar energy not economically competative #12;VS. Solar Cell Technology High-generation photovoltaics #12;Energy, Society, and Environment � Search for a new energy paradigm: � Global warming � Energy) #12;Analysis Polyimide 0 20 40 60 80 100 120 0 10 20 30 40 50 60 70 energy (uJ) #12;More Analysis

Petta, Jason

88

Development of Proneurogenic, Neuroprotective Small Molecules  

Science Journals Connector (OSTI)

We discovered the first synthetic molecule, named P7C3, which protects newborn neurons from apopotic cell death, and thus promotes neurogenesis in mice and rats in the subgranular zone of the hippocampal dentate gyrus, the site of normal neurogenesis in adult mammals. ... Compounds were introduced over 7 days at a concentration of 10 ?M each (12 ?L/day at a constant rate). ... Animals were sacrificed at varying times after dosing by inhalation overdose of CO2. ...

Karen S. MacMillan; Jacinth Naidoo; Jue Liang; Lisa Melito; Noelle S. Williams; Lorraine Morlock; Paula J. Huntington; Sandi Jo Estill; Jamie Longgood; Ginger L. Becker; Steven L. McKnight; Andrew A. Pieper; Jef K. De Brabander; Joseph M. Ready

2011-01-06T23:59:59.000Z

89

New Small-Molecule Synthetic Antimycobacterials  

Science Journals Connector (OSTI)

...difficult to deliver unless substantial infrastructure is in place. Detecting drug resistance...4-Quinolylhydrazones, structural hybrids of isoniazid and quinolones (96, 96A...biosynthesis (94). This compound, a dimeric hybrid of a galactofuranosyl ethambutol analogue...

Lluis Ballell; Robert A. Field; Ken Duncan; Robert J. Young

2005-06-01T23:59:59.000Z

90

Infrared spectroscopy of small-molecule endofullerenes  

Science Journals Connector (OSTI)

...vJNLlambdaM lambda are where is the frequency for translational oscillations within the cavity. The meaning of different parts of the...1994 Incorporation of helium, neon, argon, krypton, and xenon into fullerenes using high pressure. J. Am. Chem. Soc...

2013-01-01T23:59:59.000Z

91

A Small Molecule Transcriptional Activation Domain  

Science Journals Connector (OSTI)

1 These activation domains often contain surreptitious repeats of 6?14 amino acids,4,5 and the minimal repeat unit of a natural transcriptional activator can itself function as an activator when attached to a DBD. ...

Aaron R. Minter; Brian B. Brennan; Anna K. Mapp

2004-08-07T23:59:59.000Z

92

Final Closeout report for grant FG36-08GO18018, titled: Functional Multi-Layer Solution Processable Polymer Solar Cells  

SciTech Connect

The original objectives were: (1) Develop a method to deposit multiple conjugated polymer film layers and avoid the problem of dissolution from mutually solubility; (2) Use this deposition method to develop multi-layer polymer based solar cells with layers that are function specific; (3) characterize these layers and devices; (4) develop electrical and optical models that describe and predict the properties of the multi-layers; and (5) Ultimate efficiency goals are {approx}6.75% with J{sub sc} = 12 mA/cm{sup 2}, FF = 0.75, and V{sub oc} = 0.75. The question of whether photovoltaic (PV) cells will ever be able to replace fossil fuels as the main provider of electrical power is not just a question of device efficiency; it is a question of how much power can be provided for what price. It has been well documented that PV devices at 10% power efficiency can provide for all of the world's power needs without covering too much of the earth's surface. Assuming desert like cloud coverage, an area equivalent to the land area of Texas would have to be covered. However, it has also been shown that using the current state-of-the-art silicon devices, the price-per-Watt will never be low enough to be economically feasible for large-scale development. Solution-processable PV devices based on polymers are a very attractive alternative to traditional Silicon PV because this technology is much lower in materials cost and in environmentally toxic waste production. Solution-based polymers can be rapidly deposited using printing technologies and are compatible with light-weight flexible substrates that can increase the range of available PV applications. In the past ten years, the efficiency of polymer based PV devices has increased from {approx}1% to over 10%. The highest efficiency organic solar cells are based upon a single layer than consists of a mixture of donor and acceptor moieties. This one layer has multiple optical and electrical functions, so the design of a single heterojunction layer is based upon the idea of balancing good and bad properties within a single film. This proposal addresses the idea that the use of multiple layers that have differing electrical and optical functions could lead to greater efficiency because fewer materials compromises must be made. This idea is not new, multiple functional layer have been successfully used in cross-linked OLED's and organic small molecule evaporated PV devices. The main reason that multiple layers of polymers are not commonly deposited is that most conjugated polymers are mutually soluble in the same solvents. The work outlined in the proposal was intended to develop a new deposition strategy that would allow multiple organic layers to be deposited from solution using spin coating. The deposition method that we proposed was successful, sometimes, but ultimately not reliable. Instead we focused on more reliable methods to implement doping along the interface between layers. This work has been very successful. We found that using PEDOT:PSS, the PSS would form a surface layer of {approx}2-3 nm thickness that would mix with and electrochemically react with P3HT upon heating. This mechanism is also a crosslinking reaction in that H{sub 2} is released and permanent new bonds are formed. Using the Plextronics Inc. replacement to PEDOT:PSS, for which there are no mobile dopants, we were able to show that a second and different mechanism can be used to p-type dope organic materials. We are currently working with Plextronics to develop a new product. Finally we produced n-type doping of a thin fullerene layer near the cathode also using a self-assembly method. Low work function metals will diffuse into the BHJ layer and dope the fullerene upon heating. This doping also affects the vertical segregation of BHJ materials in a predictable way. We accomplished all of the scientific goals that we set out in the proposal written in May 2007. Some of the methods we proposed were not fully successful, but we did come up with better methods to achieve the same goal. We did not achieve the efficiency g

Adam J. Moule

2012-05-01T23:59:59.000Z

93

Solution Processed Al-Doped ZnO Nanoparticles/TiOx Composite for Highly Efficient Inverted Organic Solar Cells  

Science Journals Connector (OSTI)

Solution Processed Al-Doped ZnO Nanoparticles/TiOx Composite for Highly Efficient Inverted Organic Solar Cells ... This metal-oxide composition, called AZOTi, has two important elements that benefit production of low cost devices. ... After successful utilization of AZOTi in the fabrication of optimized single layer P3HT/PCBM-inverted solar cells, we also fabricated tandem cells comprising ITO/AZOTi/P3HT/PCBM in the front cell and a blend of a low band gap polymer [2,1,3-benzothiadiazole-4,7-diyl [4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b?]dithiophene-2,6-diyl

Abay Gadisa; Travis Hairfield; Leila Alibabaei; Carrie L. Donley; Edward T. Samulski; Rene Lopez

2013-08-27T23:59:59.000Z

94

Slide 1  

Office of Environmental Management (EM)

criticality 5. Roll-to-Roll Processing * Roll-to-roll (R2R) applications such as flexible solar panels, printed electronics, thin film batteries, and membranes * Deposition...

95

This content has been downloaded from IOPscience. Please scroll down to see the full text. Download details  

E-Print Network (OSTI)

perfluoropolyether (PFPE) composite molds on a custom designed roll-to-roll nanoimprinter. The efficiency

Rothstein, Jonathan

96

Targeting unique nucleic acid structures with small molecules  

E-Print Network (OSTI)

compressibilities of synthetic and natural DNA duplexes atspecific DNA sequences with synthetic oligonucleotides; b)1–3 These synthetic oligonucleotides both modify their DNA

Tam, Victor Kin-man

2007-01-01T23:59:59.000Z

97

Activation of gene expression by small molecule transcription factors  

E-Print Network (OSTI)

acids (13­15). These synthetic DNA binding ligands are cell permeable, and one such compound was shown

Dervan, Peter B.

98

Targeting unique nucleic acid structures with small molecules  

E-Print Network (OSTI)

2 min and then flash cooling on ice for 2 min. Incubated atfor 2 min then flash cooling on ice for 2 min. The extendedminutes, followed by flash cooling on ice for 2 minutes. The

Tam, Victor Kin-man

2007-01-01T23:59:59.000Z

99

Small molecule activators of sirtuins extend Saccharomyces cerevisiae lifespan  

Science Journals Connector (OSTI)

... families were then tested for their effect on yeast replicative lifespan. Three compounds—butein, fisetin and resveratrol—increased average lifespan by 31%, 55% and 70%, respectively, and ...

Konrad T. Howitz; Kevin J. Bitterman; Haim Y. Cohen; Dudley W. Lamming; Siva Lavu; Jason G. Wood; Robert E. Zipkin; Phuong Chung; Anne Kisielewski; Li-Li Zhang; Brandy Scherer; David A. Sinclair

2003-08-24T23:59:59.000Z

100

Small-Molecule Control of Protein Degradation Using Split Adaptors  

E-Print Network (OSTI)

Targeted intracellular degradation provides a method to study the biological function of proteins and has numerous applications in biotechnology. One promising approach uses adaptor proteins to target substrates with ...

Davis, Joseph H.

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


101

G-quadruplex recognition and isolation with small molecules  

E-Print Network (OSTI)

dimethyl sulfoxide DNA deoxyribonucleic acid Dr. doctor ds-DNA double-stranded DNA equiv. equivalent(s) EDTA ethylenediaminetetraacetate e.g. exempli gratia EBr ethidium bromide EtOAc ethyl acetate EtOH ethanol FACS fluorescence-activated cell sorting FAM 6... TERT human telomerase reverse transcriptase Hz Hertz i.e. id est K Kelvin K+ potassium cation KCl potassium chloride ? wavelength LC50 half maximal lethal concentration LiCl lithium chloride Ltd. Limited µl microliter M molar mAU milli enzyme activity units...

Müller, Sebastian

2011-01-11T23:59:59.000Z

102

Engineering small molecule specificity in nearly identical cellular environments  

E-Print Network (OSTI)

(SLF), and the result- ing bifunctional molecule (MTXSLF) potently inhibits either enzyme but not both detoxification; Metho- trexate; SLF; FKBP. * Corresponding author. Tel.: +1 650 723 4005; fax: +1 650 725 4665; e

Wandless, Tom

103

Multimonth controlled small molecule release from biodegradable thin films  

Science Journals Connector (OSTI)

...phosphate, pH 7.4. For (chitosan/PGA-TriEG-Diclof) n films, 2 mg/mL chitosan in 100 mM sodium acetate...with a COX fluorescent inhibitor screening assay kit...The films studied, (chitosan/PGA-TriEG-Diclof...activity (i.e., no inhibitor). Total film loadings...

Bryan B. Hsu; Myoung-Hwan Park; Samantha R. Hagerman; Paula T. Hammond

2014-01-01T23:59:59.000Z

104

Small Molecule Sensing by Local pH Modulation  

E-Print Network (OSTI)

, ortho-rhodamine B conjugated POPE (1-hexadecanoyl-2-(9Z-octa-decenoyl)-sn-glycero-3-phosphoethanolamine), as a membrane imbedded reporter molecule to monitor ligand-receptor interactions on SLBs by measuring the fluorescence intensity change. Also...

Huang, Da

2013-11-14T23:59:59.000Z

105

SOLUTION-PROCESSED INORGANIC ELECTRONICS  

E-Print Network (OSTI)

layers for organic diodes and solar cells, and contacts tosensitized solar cells, as well as organic and inorganicorganic semiconductors in both diode (OLED and solar cell)[

Bakhishev, Teymur

2011-01-01T23:59:59.000Z

106

Solution-Processed Organic Photovoltaics  

Science Journals Connector (OSTI)

The technology of organic solar cells has matured to an extent that commercialization of first products has already started. However, with the first products pushing into the market, the research community realiz...

Claudia N. Hoth; Pavel Schilinsky…

2013-01-01T23:59:59.000Z

107

The Application of Highly Doped Single-Layer Graphene as the Top Electrodes of Semitransparent Organic Solar Cells  

Science Journals Connector (OSTI)

Besides its use as the bottom electrode for organic solar cells, we find that graphene is an excellent candidate for the top electrode of a semitransparent organic solar cell since large area graphene films can be easily transferred to the top of various substrates by a solution process at room temperature. ... reported roll-to-roll production of single-layer CVD graphene film with the resistance of only 125 ?/?. ... Today, graphene is limited to small sizes because it is produced mostly by exfoliating graphite. ...

Zhike Liu; Jinhua Li; Zhen-Hua Sun; Guoan Tai; Shu-Ping Lau; Feng Yan

2011-12-11T23:59:59.000Z

108

Advances in solar photovoltaics are urgently needed to increase the performance and reduce the cost of harvesting solar power. Solution-processed photovoltaics are cost-effective to manufacture and offer the potential for physical flexibility.  

E-Print Network (OSTI)

, Toronto, M5S 3G4, Canada. O ne hundred and twenty thousand terawatts of solar power irradiate EarthAdvances in solar photovoltaics are urgently needed to increase the performance and reduce the cost of harvesting solar power. Solution-processed photovoltaics are cost-effective to manufacture and offer

109

Surface Plasmon Enhanced Phosphorescent Organic Light Emitting Diodes  

SciTech Connect

The objective of the proposed work was to develop the fundamental understanding and practical techniques for enhancement of Phosphorescent Organic Light Emitting Diodes (PhOLEDs) performance by utilizing radiative decay control technology. Briefly, the main technical goal is the acceleration of radiative recombination rate in organometallic triplet emitters by using the interaction with surface plasmon resonances in noble metal nanostructures. Increased photonic output will enable one to eliminate constraints imposed on PhOLED efficiency by triplet-triplet annihilation, triplet-polaron annihilation, and saturation of chromophores with long radiative decay times. Surface plasmon enhanced (SPE) PhOLEDs will operate more efficiently at high injection current densities and will be less prone to degradation mechanisms. Additionally, introduction of metal nanostructures into PhOLEDs may improve their performance due to the improvement of the charge transport through organic layers via multiple possible mechanisms ('electrical bridging' effects, doping-like phenomena, etc.). SPE PhOLED technology is particularly beneficial for solution-fabricated electrophosphorescent devices. Small transition moment of triplet emitters allows achieving a significant enhancement of the emission rate while keeping undesirable quenching processes introduced by the metal nanostructures at a reasonably low level. Plasmonic structures can be introduced easily into solution-fabricated PhOLEDs by blending and spin coating techniques and can be used for enhancement of performance in existing device architectures. This constitutes a significant benefit for a large scale fabrication of PhOLEDs, e.g. by roll-to-roll fabrication techniques. Besides multieexciton annihilation, the power efficacy of PhOLEDs is often limited by high operational bias voltages required for overcoming built-in potential barriers to injection and transport of electrical charges through a device. This problem is especially pronounced in solution processed OLEDs lacking the accuracy and precision of fabrication found in their small molecule counterparts. From this point of view, it seems beneficial to develop materials allowing reduction of the operation bias voltage via improvement of the charge injection. The materials sought have to be compatible with solution-based fabrication process and allow easy incorporation of metal nanostructures.

Guillermo Bazan; Alexander Mikhailovsky

2008-08-01T23:59:59.000Z

110

Efficient indium-tin-oxide free inverted organic solar cells based on aluminum-doped zinc oxide cathode and low-temperature aqueous solution processed zinc oxide electron extraction layer  

SciTech Connect

Indium-tin-oxide (ITO) free inverted organic solar cells (IOSCs) based on aluminum-doped zinc oxide (AZO) cathode, low-temperature aqueous solution processed zinc oxide (ZnO) electron extraction layer, and poly(3-hexylthiophene-2, 5-diyl):[6, 6]-phenyl C{sub 61} butyric acid methyl ester blend were realized in this work. The resulted IOSC with ZnO annealed at 150?°C shows the superior power conversion efficiency (PCE) of 3.01%, if decreasing the ZnO annealing temperature to 100?°C, the obtained IOSC also shows a PCE of 2.76%, and no light soaking issue is observed. It is found that this ZnO film not only acts as an effective buffer layer but also slightly improves the optical transmittance of AZO substrates. Further, despite the relatively inferior air-stability, these un-encapsulated AZO/ZnO IOSCs show comparable PCEs to the referenced ITO/ZnO IOSCs, which demonstrates that the AZO cathode is a potential alternative to ITO in IOSCs. Meanwhile, this simple ZnO process is compatible with large area deposition and plastic substrates, and is promising to be widely used in IOSCs and other relative fields.

Chen, Dazheng; Zhang, Chunfu, E-mail: cfzhang@xidian.edu.cn; Wang, Zhizhe; Zhang, Jincheng; Tang, Shi; Wei, Wei; Sun, Li; Hao, Yue, E-mail: yhao@xidian.edu.cn [State Key Discipline Laboratory of Wide Band Gap Semiconductor Technology, School of Microelectronics, Xidian University, No. 2 South Taibai Road, Xi'an 710071 (China)

2014-06-16T23:59:59.000Z

111

Antiandrogenic properties of parabens and other phenolic containing small molecules in personal care products  

E-Print Network (OSTI)

-induced transcriptional activity. Triclosan inhibited transcriptional activity induced by T by more than 92 receptor; Bioassay; Parabens; Phenolic moiety; Triclosan; Thymol Introduction Public concern regarding

Hammock, Bruce D.

112

Antiandrogenic properties of parabens and other phenolic containing small molecules in personal care products  

SciTech Connect

To identify the androgenic potency of commonly used antimicrobials, an in vitro androgen receptor-mediated transcriptional activity assay was employed to evaluate the androgenic/antiandrogenic activity of parabens and selected other antimicrobials containing a phenolic moiety. This cell-based assay utilizes a stably transfected cell line that lacks critical steroid metabolizing enzymes and is formatted in a 96-well format. At a concentration of 10 {mu}M, methyl-, propyl- and butyl-4-hydroxybenzoate (parabens) inhibited testosterone (T)-induced transcriptional activity by 40%, 33% and 19%, respectively (P < 0.05), while 4-hydroxybenzoic acid, the major metabolite of parabens, had no effect on T-induced transcriptional activity. Triclosan inhibited transcriptional activity induced by T by more than 92% at a concentration of 10 {mu}M, and 38.8% at a concentration of 1.0 {mu}M (P < 0.05). Thirty-four percent of T-induced transcriptional activity was inhibited by thymol at 10 {mu}M (P < 0.05). Cell proliferation and/or cytotoxicity were not observed in any of the treatments. None of the compounds appeared to be androgenic when tested individually without T. The data presented in this report demonstrate that some widely used antimicrobial compounds have antiandrogenic properties and warrant further investigation to fully understand their potential impact on human reproductive health.

Chen Jiangang [Center for Health and the Environment, University of California, Davis, CA 95616 (United States); Ahn, Ki Chang [Department of Entomology, University of California, Davis, CA 95616 (United States); Gee, Nancy A. [Center for Health and the Environment, University of California, Davis, CA 95616 (United States); California National Primate Research Center, University of California, Davis, CA 95616 (United States); Gee, Shirley J. [Department of Entomology, University of California, Davis, CA 95616 (United States); Hammock, Bruce D. [Department of Entomology, University of California, Davis, CA 95616 (United States); Cancer Research Center, University of California, Davis, CA 95616 (United States); Lasley, Bill L. [Center for Health and the Environment, University of California, Davis, CA 95616 (United States) and California National Primate Research Center, University of California, Davis, CA 95616 (United States)]. E-mail: bllasley@ucdavis.edu

2007-06-15T23:59:59.000Z

113

The evolving biology of small molecules: controlling cell fate and identity  

Science Journals Connector (OSTI)

...Ding, S. 2008 A combined chemical and genetic approach for the generation...induced pluripotent stem cells with chemical complementation of Klf4. Proc...0903860106 ) 75 Lin, T. , 2009 A chemical platform for improved induction of human...

2011-01-01T23:59:59.000Z

114

Trans-chalcone: a novel small molecule inhibitor of mammalian alpha-amylase  

Science Journals Connector (OSTI)

Trans...-chalcone (1,3-diphenyl-2-propen-1-one), a biphenolic core structure of flavonoids precursor was tested for inhibitory activity toward alpha-amylase. Porcine pancreatic alpha-amylase was ...

Mahmoud Najafian; Azadeh Ebrahim-Habibi; Nastaran Hezareh…

2011-03-01T23:59:59.000Z

115

Small Molecules, Big Players: the National Cancer Institute's Initiative for Chemical Genetics  

Science Journals Connector (OSTI)

...Methodologies and Library Development, located...chemical and biological space. The creation of...space and biological space. ChemBank makes...data collection and public data dissemination...chemistry and biology space. Through ChemBank...novel compounds or libraries, (b) assist biologists...

Nicola Tolliday; Paul A. Clemons; Paul Ferraiolo; Angela N. Koehler; Timothy A. Lewis; Xiaohua Li; Stuart L. Schreiber; Daniela S. Gerhard; and Scott Eliasof

2006-09-15T23:59:59.000Z

116

E-Print Network 3.0 - agonist small-molecule agonists Sample...  

NLE Websites -- All DOE Office Websites (Extended Search)

Summary: . - Adrenoceptor agonists have been used to treat asthma for more than a century. The mechanisms of action of 2... -adrenoceptor agonists are well characterized...

117

Synthesis of Small Molecule Candidate Insulin Mimics by the Claisen Rearrangement  

E-Print Network (OSTI)

growth factor receptor iPr Isopropyl IR Insulin receptor IRR = Bu 78 R = allyl 79 R = iPr DIPEA, toluene rt, Ar O O N RR = Me 109 R = Bu 110 R = iPr Scheme 2.34 Sonogashira-indole

Nalbandian, Jenifer N.

2013-01-01T23:59:59.000Z

118

Small Molecules, Big Players: the National Cancer Institute's Initiative for Chemical Genetics  

Science Journals Connector (OSTI)

...material science research instrumentation and technologies to engineer a low tech alternative therapy that represents an unconventional...that when they achieve improvements in their own health, the quality of life of the community as a whole improves significantly...

Nicola Tolliday; Paul A. Clemons; Paul Ferraiolo; Angela N. Koehler; Timothy A. Lewis; Xiaohua Li; Stuart L. Schreiber; Daniela S. Gerhard; and Scott Eliasof

2006-09-15T23:59:59.000Z

119

THz detection of small molecule vapors in the atmospheric transmission windows  

E-Print Network (OSTI)

transmission windows. We investigate two types of apparatus. In the first type the THz beam propagates along is controlled to simulate dry or humid conditions. In the second apparatus the THz beam propagates over a much brightness temperature spectra at near-millimeter and submillimeter wavelengths with a Fourier-transform

Oklahoma State University

120

Bypassing Kinase Activity of the Tomato Pto Resistance Protein with Small Molecule Ligands*S  

E-Print Network (OSTI)

Zhang§ , Kevan M. Shokat§ , and Guido Sessa2 From the Department of Plant Sciences, Tel-Aviv University lycopersicum) protein kinase Pto con- fers resistance to Pseudomonas syringae pv. tomato bacteria expressing recognition and signal transduction. Strikingly, while PP1 analogs efficiently inhibited kinase activity

Sessa, Guido

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


121

The Design of Organic Polymers and Small Molecules to Improve the Efficiency of Excitonic Solar Cells  

E-Print Network (OSTI)

1044. [13] Rajaram, S. ; Armstrong, P. B. ; Kim, B. J. ;7. [8] (a) Scully, S. R. ; Armstrong, P. B. ; Edder, C. ;Cells by Paul Barber Armstrong A dissertation submitted in

Armstrong, Paul Barber

2010-01-01T23:59:59.000Z

122

Small molecule inhibitors targeting protein-protein interaction in the RAD51 family of recombinases  

E-Print Network (OSTI)

(2), 656-663. [11] T. Oltersdorf, S. W. Elmore, A. R. Shoemaker, R. C. Armstrong, D. J. Augeri, B. A. Belli, M. Bruncko, T. L. Deckwerth, J. Dinges, P. J. Hajduk, M. K. Joseph, S. Kitada, S. J. Korsmeyer, A. R. Kunzer, A. Letai, C. Li, M. J. Mitten, D. G... . Mason, M. J. Mitten, P. M. Nimmer, A. Oleksijew, C. H. Park, C. M. Park, D. C. Phillips, A. W. Roberts, D. Sampath, J. F. Seymour, M. L. Smith, G. M. Sullivan, S. K. Tahir, C. Tse, M. D. Wendt, Y. Xiao, J. C. Xue, H. C. Zhang, R. A. Humerickhouse, S. H...

Scott, Duncan E.; Coyne, Anthony G.; Venkitaraman, Ashok; Blundell, Tom L.; Abell, Chris; Hyvönen, Marko

2014-12-02T23:59:59.000Z

123

A Focused Small-Molecule Screen Identifies 14 Compounds with Distinct Effects on Toxoplasma gondii  

Science Journals Connector (OSTI)

...Compounds with Distinct Effects on Toxoplasma gondii Edwin T. Kamau Ananth R. Srinivasan Mark J. Brown Matthew G. Fair Erin J. Caraher Jon P. Boyle Address correspondence to Jon P. Boyle, boylej@pitt.edu . University of Pittsburgh, Department of Biological...

Edwin T. Kamau; Ananth R. Srinivasan; Mark J. Brown; Matthew G. Fair; Erin J. Caraher; Jon P. Boyle

2012-08-20T23:59:59.000Z

124

Inner-shell electron spectroscopy and chemical properties of atoms and small molecules  

SciTech Connect

The program has been concerned with gas-phase carbon 1s photoelectron spectroscopy of a number of molecules of potential chemical interest. The primary goals have been to determine carbon 1s ionization energies with a view of relating these to other chemical properties such as electronegativity, acidity, basicity, and reactivity, in order to provide a better understanding of these fundamental properties. The role of electron-donating (methyl) and electron-withdrawing (fluoro) substituents on the carbon 1s ionization energies of substituted benzenes has been studied., and these results have been related to measurements of the reactivities of the same molecule as well as to their affinities for protons (basicity). Opportunities for investigation in unplanned areas have arisen, and the program has been modified to take advantage of these. One has been the realization that, under certain circumstances, inner-shell ionization energies may depend on the molecular conformation. Several examples of this phenomenon have been investigated and it has been shown that this technique provides a tool for the measurement of the energy differences between different conformers of the same substance. The other has been the demonstration that photoelectron recoil can lead to the excitation of vibrational modes that are forbidden in the normal view of photoemission and to rotational heating of the molecule that increases with the energy of the exciting radiation.

T. Darrah Thomas

2009-01-21T23:59:59.000Z

125

Yucca: An Efficient Algorithm for Small-Molecule Docking1 by Vicky Choi  

E-Print Network (OSTI)

docking algorithms have been developed (see reviews [1][2] and comparison studies [3 ± 5]). Broadly and Genome Informatics�. #12;algorithms are based on genetic algorithms and/or Monte Carlo-simulated, multi-conformer docking algorithms separately generate a set of low-energy conformers, and then do rigid

Choi, Vicky

126

Reversing chemoresistance by small molecule inhibition of the translation initiation complex eIF4F  

E-Print Network (OSTI)

for ribosome loading (2, 3). Gene expression profiling has identified mRNA transcripts whose translation 30322 Edited* by David E. Housman, Massachusetts Institute of Technology, Cambridge, MA, and approved is associated with cancer initiation and progression. The rate-limiting step of protein synthesis is the loading

Vajda, Sandor

127

TBP expression and the investigation of on-bead assays for small molecule recognition  

E-Print Network (OSTI)

The TATA binding protein, TBP, plays a central role in transcription by binding to DNA and recruiting other proteins through complementary surface-surface interactions. Understanding the nature of these interactions not only broadens...

Bhattarai, Kiran

2002-01-01T23:59:59.000Z

128

Developments and Applications of Electrophoresis and Small Molecule Laser Desorption Ionization Mass Spectrometry  

SciTech Connect

Ultra-sensitive native fluorescence detection of proteins with miniaturized one- and two-dimensional polyacrylamide gel electrophoresis was achieved with laser side-entry excitation, which provides both high excitation power and low background level. The detection limit for R-phycoerythrin protein spots in 1-D SDS-PAGE was as low as 15 fg, which corresponds to 40 thousand molecules only. The average detection limit of six standard native proteins was 5 pg per band and the dynamic range spanned more than 3 orders of magnitude. Approximately 150 protein spots from 30 ng of total Escherichia coli extraction were detected on a 0.8 cm x 1 cm gel in two-dimensional separation. Estrogen-DNA adducts as 4-OHE{sub 1}(E{sub 2})-1-N3Ade and 4-OHEI(E2)-2-NacCys were hypothesized as early risk assessment of prostate and breast cancers. Capillary electrophoresis, luminescence/absorption spectroscopy and LC-MS were used to characterize and detect these adducts. Monoclonal antibodies against each individual adduct were developed and used to enrich such compounds from urine samples of prostate and breast cancer patients as well as healthy people. Adduct 4-OHE{sub 1}-1-N3Ade was detected at much higher level in urine from subjects with prostate cancer patients compared to healthy males. The same adduct and 4-OHEI-2-NacCys were also detected at a much higher level in urine from a woman with breast carcinoma than samples from healthy controls. These two DNA adducts may serve as novel biomarkers for early diagnostic of cancers. The adsorption properties of R-phycoerythrin (RPE), on the fused-silica surface were studied using capillary electrophoresis (CE) and single molecule spectroscopy. The band shapes and migration times were measured in CE. Adsorption and desorption events were recorded at the single-molecule level by imaging of the evanescent-field layer using total internal reflection. The adsorbed RPE molecules on the fused-silica prism surface were counted with confidence based on Imagej software. The capacity factor and desorption rate were estimated from the counting results. The mobility-based adsorption isotherms were constructed from both computer simulations and experiments to determine the capacity factor.

Hui Zhang

2007-12-01T23:59:59.000Z

129

An Fc Domain Protein–Small Molecule Conjugate as an Enhanced Immunomodulator  

Science Journals Connector (OSTI)

Hurwitz, E.; Arnon, R.; Sahar, E.; Danon, Y.; Ann, N. Y. Acad. ... Hurwitz, E.; Arnon, R.; Sahar, E.; Danon, Y. ...

Meng-Jung Chiang; Marc A. Holbert; Jay H. Kalin; Young-Hoon Ahn; John Giddens; Mohammed N. Amin; Martin S. Taylor; Samuel L. Collins; Yee Chan-Li; Adam Waickman; Po-Yuan Hsiao; David Bolduc; Daniel J. Leahy; Maureen R. Horton; Lai-Xi Wang; Jonathan D. Powell; Philip A. Cole

2014-02-17T23:59:59.000Z

130

The Design of Organic Polymers and Small Molecules to Improve the Efficiency of Excitonic Solar Cells.  

E-Print Network (OSTI)

??The harvesting of solar energy using photovoltaics has the potential to provide a significant portion of the world's energy. For this to happen, the cost… (more)

Armstrong, Paul Barber

2010-01-01T23:59:59.000Z

131

The Design of Organic Polymers and Small Molecules to Improve the Efficiency of Excitonic Solar Cells  

E-Print Network (OSTI)

bulk heterojunction organic solar cells, blends of a p-typecells, including organic solar cells and dye-sensitizedin a bilayer organic solar cell. At top is a cross section

Armstrong, Paul Barber

2010-01-01T23:59:59.000Z

132

Charge recombination in organic small-molecule solar cells by Jiye Lee.  

E-Print Network (OSTI)

??To enhance the power conversion efficiency in organic solar cells, charge recombination loss needs to be minimized. First, we perform transient absorption spectroscopy to study… (more)

Lee, Jiye

2008-01-01T23:59:59.000Z

133

Electrically Triggered Release of a Small Molecule Drug from a Polyelectrolyte Multilayer Coating  

E-Print Network (OSTI)

Electrically triggered drug delivery represents an attractive option for actively and remotely controlling the release of a therapeutic from an implantable device (e.g., a “pharmacy-on-a-chip”). Here we report the fabrication ...

Schmidt, Daniel J.

134

Small Molecules, Big Players: the National Cancer Institute's Initiative for Chemical Genetics  

Science Journals Connector (OSTI)

...itself) using a standard microarray scanner...reviewed by a screening review committee, an impartial...processed using a standard error model, i...are well-designed plans for follow-up experimentation...for public data-mining once the screening...Lee JK, et al. Mining and visualizing large...

Nicola Tolliday; Paul A. Clemons; Paul Ferraiolo; Angela N. Koehler; Timothy A. Lewis; Xiaohua Li; Stuart L. Schreiber; Daniela S. Gerhard; and Scott Eliasof

2006-09-15T23:59:59.000Z

135

Binding affinity of a small molecule to an amorphous polymer in a solvent  

E-Print Network (OSTI)

Crystallization is a commonly used purification process in industrial practice. It usually begins with heterogeneous nucleation on a foreign surface. The complicated mechanism of heterogeneous nucleation is not well ...

Chunsrivirot, Surasak

2011-01-01T23:59:59.000Z

136

Small Molecule Hsp90 Modulator and Neuregulin-induced Peripheral Demyelination  

E-Print Network (OSTI)

Cognate Protein73 HSF-1 Heat Shock Factor-1 HSP Heat Shock Protein HSR Heat Shock Response Ig Immunoglobulin JNK C-jun N-terminal Kinase Kv Voltage-gated Potassium Channel KO/-/- Knockout LM1 IV3NeuAc-nLcOse4... and insulating properties of nerves in 1791 (Clarke and O'Malley, 1968), the role of myelin and nodes of Ranvier in enabling saltatory impulse conduction was first demonstrated by Tasaki in 1939. However, whether myelin derived from axons or glial cells...

Li, Chengyuan

2012-08-31T23:59:59.000Z

137

Using small molecule complexes to elucidate features of photosynthetic water oxidation  

Science Journals Connector (OSTI)

...cofactors. In Photosystem II: the light-driven water: plastoquinone...Springer. Vincent, J.B , Christmas, C, Chang, H.R, Li, Q...Wydrzynski, T Photosystem II: the light-driven water: plastoquinone...ions. In Photosystem II: the light-driven water: plastoquinone...

2008-01-01T23:59:59.000Z

138

The Design of Organic Polymers and Small Molecules to Improve the Efficiency of Excitonic Solar Cells  

E-Print Network (OSTI)

J. The physics of solar cells; Imperial College Press,for organic polymer solar cells investigated to date. TheHarvesting in Dye-Sensitized Solar Cells Through the Use of

Armstrong, Paul Barber

2010-01-01T23:59:59.000Z

139

A Chemical Screen for Biological Small Molecule-RNA Conjugates Reveals CoA-Modified RNA  

E-Print Network (OSTI)

purification system using Flash+ silica gel columns. The 1 H and 13 C NMR spectra were recorded on a Varian addition of n-butylamine to the C4H4O3 unknown and the loss of two molecules of water (observed [M+H]+ m and were used without further purification. Flash column chromatography was carried out on a Biotage SP4

Liu, David R.

140

Multi-photon excitation in uncaging the small molecule bioregulator nitric oxide  

Science Journals Connector (OSTI)

...LF) state with an energy of approximately 1...populated by internal conversion/intersystem crossing from the higher energy states formed by excitation...dots as hydrophilic carriers and two-photon excited energy donors in photodynamic...

2013-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


141

Graphene Signal Amplification for Sensitive and Real-Time Fluorescence Anisotropy Detection of Small Molecules  

E-Print Network (OSTI)

Graphene Signal Amplification for Sensitive and Real-Time Fluorescence Anisotropy Detection graphene oxide (GO) as the signal amplifier. Because of the extraordinarily larger volume of GO

Tan, Weihong

142

Small Molecules, Big Players: the National Cancer Institute's Initiative for Chemical Genetics  

Science Journals Connector (OSTI)

...and automation engineers, computational...creating a research environment in which new scientific...resource and research environment, ChemBank. 6...and software engineers. The goal was...and automation engineers, computational...creating a research environment in which new scientific...

Nicola Tolliday; Paul A. Clemons; Paul Ferraiolo; Angela N. Koehler; Timothy A. Lewis; Xiaohua Li; Stuart L. Schreiber; Daniela S. Gerhard; and Scott Eliasof

2006-09-15T23:59:59.000Z

143

Harnessing Chaperones to Generate Small-Molecule Inhibitors of Amyloid ß Aggregation  

Science Journals Connector (OSTI)

...surfaces. Fig. 1. The combination of SLF-CR and FKBP inhibits aggregation of A...steric bulk. (B) The chemical structure of SLF-CR is shown with the targeting domain, CR, in red and the recruiting domain, SLF, in black. (C) Inhibition of A{beta...

Jason E. Gestwicki; Gerald R. Crabtree; Isabella A. Graef

2004-10-29T23:59:59.000Z

144

Functionalized Dibenzoborepins as Components of Small Molecule and Polymeric ?-Conjugated Electronic Materials  

Science Journals Connector (OSTI)

A.C. is supported by a JHU Chemistry Alumni Graduate Fellowship. ... (b) Ashe, A. J., III; Klein, W.; Rousseau, R. Organometallics 1993, 12, 3224– 3231 ...

Anthony Caruso, Jr.; John D. Tovar

2011-02-25T23:59:59.000Z

145

Small-molecule mimics of an a-helix for efficient transport of proteins into cells  

E-Print Network (OSTI)

­57) of HIV-1 Tat, the third helix of antennapedia homeodomain (penetratin)3,4 and designed variants was galvanized by a report6 on the ability of HIV-1 Tat fusion proteins to deliver b-galactosi- dase to multiple

Cai, Long

146

Combinatorial design and synthesis of peptidomimics and small molecules for protein-protein interactions  

E-Print Network (OSTI)

pharmacophores and to adjust the solubilities of the products. The fluorinated template also gave libraries of cyclic peptidomimetics on solid phase in good yields and purities. These libraries have improved water solubility over the iodinated libraries. The 3...

Park, Chihyo

2007-04-25T23:59:59.000Z

147

Small-molecule inhibitor binding to an N-acyl-homoserine lactone synthase  

Science Journals Connector (OSTI)

...and 6C at the Pohang Accelerator Laboratory, Pohang, Korea. Structures...mg; 2.06 mmol). Nuclear magnetic resonance...concentrated under a vacuum. Ethyl 4...and 6C at the Pohang Accelerator Laboratory, Korea...then evaporated under vacuum. The remaining reaction...

Jiwoung Chung; Eunhye Goo; Sangheon Yu; Okhee Choi; Jeehyun Lee; Jinwoo Kim; Hongsup Kim; Jun Igarashi; Hiroaki Suga; Jae Sun Moon; Ingyu Hwang; Sangkee Rhee

2011-01-01T23:59:59.000Z

148

Small molecule inhibitors of the RNA-dependent protein kinase Narasimham V. Jammi,1  

E-Print Network (OSTI)

. Whitby, and Peter A. Beal* Department of Chemistry, University of Utah, Salt Lake City, UT 84112, USA.elsevier.com/locate/ybbrc BBRC * Corresponding author. Fax: 1-801-581-8433. E-mail address: beal@chem.utah.edu (P.A. Beal). 1

Beal, Peter A.

149

Printing Highly-aligned Single-crystalline Organic Electronic Thin Films |  

NLE Websites -- All DOE Office Websites (Extended Search)

Printing Highly-aligned Single-crystalline Organic Electronic Thin Films Printing Highly-aligned Single-crystalline Organic Electronic Thin Films Monday, September 23, 2013 Organic semiconductor materials have some intriguing advantages compared to their inorganic counterparts: low-cost and versatile manufacturing (e.g. roll-to-roll printing), material abundance and new form factors (e.g. flexible, transparent and stretchable). However, solution-processed organic devices are usually made and optimized with poorly scalable fabrication using lab-based techniques such as spin coating or dip coating. A better route for organic-electronics fabrication is printing, which can potentially realize large-area, high-throughput, low-cost fabrication on an industrial scale. Fluence image FLUENCE: fluid-enhanced crystal engineering. Solution shearing (a) using a

150

Innovati  

NLE Websites -- All DOE Office Websites (Extended Search)

of nanomate- rials and nanoscale devices and sensors. "Advanced research being done with sensors, pho- tovoltaics (or solar cell films), and roll-to-roll processing (or the...

151

Helianthos | Open Energy Information  

Open Energy Info (EERE)

Helianthos Jump to: navigation, search Name: Helianthos Place: Netherlands Sector: Solar Product: Developer of patented technology for the roll-to-roll manufacture of flexible...

152

Functional Polymer Architectures for Solution Processed Organic Light Emitting Diodes  

E-Print Network (OSTI)

through formation of the tetrazole from 4-bromobenzonitrile13 5-(4-Bromophenyl)tetrazole, 7 2-(4-tert- Butylphenyl)-5-(

Poulsen, Daniel Andrew

2010-01-01T23:59:59.000Z

153

Solution-processed photovoltaics with advanced characterization and analysis  

E-Print Network (OSTI)

solar cell concepts, ranging from single-crystal silicon to thin-film technologies,solar cells. [4,5] With a highest demonstrated cell efficiency of 17.3%, CdTe- based photovoltaic technology

Duan, Hsin-Sheng

2014-01-01T23:59:59.000Z

154

High-efficiency solution processable polymer photovoltaic cells by  

E-Print Network (OSTI)

. Polymer solar cells have shown potential to harness solar energy in a cost-effective way. Significant as a promising cost-effective alternative to silicon-based solar cells1­3 . Some of the important advantages, Los Angeles, California 90095, USA 2 National Renewable Energy Laboratory, Golden, Colorado 80401, USA

155

Functional Polymer Architectures for Solution Processed Organic Light Emitting Diodes  

E-Print Network (OSTI)

for high energy blue phosphorescent materials. Therefore,this high triplet energy block copolymer as host material, afind materials with sufficiently high triplet energy to be

Poulsen, Daniel Andrew

2010-01-01T23:59:59.000Z

156

Solution-processed photovoltaics with advanced characterization and analysis  

E-Print Network (OSTI)

at the 37th IEEE Photovoltaics Specialists Conference (D. B. Mitzi, Prog. Photovoltaics 2011, 20, 6. [23] S. Bag,R. Noufi, IEEE J. Photovoltaics 2012, T. Todorov, J. Tang,

Duan, Hsin-Sheng

2014-01-01T23:59:59.000Z

157

Effect of Secondary Interactions on the Fundamental Properties of Small Molecule Models of the Diiron Hydrogenase Active Site  

E-Print Network (OSTI)

mixed-valent FeIFeII complexes. An X-ray crystal structure of one of these complexes, (?-SCH2 C(CH3)2CH2S-)[Fe(CO)2PMe3]2PF6 shows both a semi-bridging carbonyl and an open site similar to the 2-Fe subsite in the Hox state of the enzyme active site...

Singleton, Michael Lee

2012-02-14T23:59:59.000Z

158

Identification and design of small molecules that associate with aggregated Alzheimer's-related beta-amyloid peptides  

E-Print Network (OSTI)

through a NANOPure Diamond TM water purification system fromthrough a NANOPure Diamond TM water purification system from

Bautista, Mahealani Roberts

2009-01-01T23:59:59.000Z

159

Abstract 1624: A fragment-based approach to the development of small-molecule STAT3 transcription factor inhibitors  

Science Journals Connector (OSTI)

...dimerization inhibition potential using an in-house fluorescent polarisation assay and a time-resolved fluorescent resonance energy transfer assay (TR-FRET), and their cytotoxicity in tumor cells was evaluated using a MTT assay. Interestingly, two fragments...

Kazi Sharmin Nahar; Christopher Chamberlain; Aanchal Grover; Paul Jackson; Khondaker M. Rahman; David E. Thurston

2014-10-01T23:59:59.000Z

160

Orally bioavailable small-molecule inhibitor of transcription factor Stat3 regresses human breast and lung cancer xenografts  

Science Journals Connector (OSTI)

...C (100 MHz, d-CDCl3...an H2 gas atmosphere for 3 h...H (400 MHz, d6-DMSO...culture until large colonies...the denuded area over a 16-h...left flank area with 1 × 106...and b is the largest superficial...paired t test. Plasma and Tumor...spray and atmospheric pressure chemical...

Xiaolei Zhang; Peibin Yue; Brent D. G. Page; Tianshu Li; Wei Zhao; Andrew T. Namanja; David Paladino; Jihe Zhao; Yuan Chen; Patrick T. Gunning; James Turkson

2012-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


161

A Small-Molecule Blocking Ribonucleotide Reductase Holoenzyme Formation Inhibits Cancer Cell Growth and Overcomes Drug Resistance  

Science Journals Connector (OSTI)

...Program (DTP) NCI Diversity Set free-for-public access database of compounds representing the NCI library of 250,253 compounds (NCI2000) was virtually...ligand-binding mode, in which there is a space between COH20 and Gly233-hRRM2 of the...

Bingsen Zhou; Leila Su; Shuya Hu; Weidong Hu; M.L. Richard Yip; Jun Wu; Shikha Gaur; D. Lynne Smith; Yate-Ching Yuan; Timothy W. Synold; David Horne; and Yun Yen

2013-11-01T23:59:59.000Z

162

Twisted Mannitol Crystals Establish Homologous Growth Mechanisms for High-Polymer and Small-Molecule Ring-Banded Spherulites  

Science Journals Connector (OSTI)

Alexander G. Shtukenberg *, Xiaoyan Cui , John Freudenthal , Erica Gunn , Eric Camp , and Bart Kahr * ... In the last decade of the 19th century(2) and the first decade of the 20th,(3-16) when crystals with decidedly noncrystallographic helical morphologies were discovered, there was a determination to characterize these objects in order to build a bridge between microscopic and macroscopic chiral forms. ...

Alexander G. Shtukenberg; Xiaoyan Cui; John Freudenthal; Erica Gunn; Eric Camp; Bart Kahr

2012-03-13T23:59:59.000Z

163

Abstract 1629: Identification and biological characterization of a novel class of small molecules to inhibit c-myc transcription  

Science Journals Connector (OSTI)

...2905: The activity of a new class of biologics: trastuzumab conjugates...equimolar equivalents, BT2111 had greater anti-tumor activity than trastuzumab...is the first example of a new class of biologics that demonstrates...Gabathuler. The activity of a new class of biologics: trastuzumab conjugates...

Kenneth M. Felsenstein; John K. Simmons; Peter Gareiss; Beverly A. Mock; and John ‘Jay’ S. Schneekloth

2014-10-01T23:59:59.000Z

164

Abstract 2480: Discovery and mechanistic characterization of AV220, a novel small molecule targeting cancer cell metabolism.  

Science Journals Connector (OSTI)

...glucose carbon backbones, whether for ATP production or for biomass generation, according to its changing demands. Further...consumption of nutrients, especially of glucose, away from biomass production and ultimately send the cells to die. Using our...

Melissa Millard and Nouri Neamati

2013-04-15T23:59:59.000Z

165

Abstract A12: Small molecule inhibitor of BCL2 in combination with RCHOP is effective in CD20 negative DLBCL.  

Science Journals Connector (OSTI)

...DLBCL. Chaitali Dutta Michele Mayo Mike Collins Christopher Brueckner Deborah Lawson Zhongwu Lai Larry Bao Corinne Reimer Astrazeneca...Chaitali Dutta, Michele Mayo, Mike Collins, Christopher Brueckner, Deborah Lawson, Zhongwu Lai, Larry Bao, Corinne Reimer...

Chaitali Dutta; Michele Mayo; Mike Collins; Christopher Brueckner; Deborah Lawson; Zhongwu Lai; Larry Bao; Corinne Reimer

2013-11-01T23:59:59.000Z

166

Identification and design of small molecules that associate with aggregated Alzheimer's-related beta-amyloid peptides  

E-Print Network (OSTI)

tacrine galantamine NH 2 memantine N Figure 1.4. Commercialtacrine, galantamine, and memantine) enhance remainingreceptor antagonist, memantine. Memantine blocks abnormal

Bautista, Mahealani Roberts

2009-01-01T23:59:59.000Z

167

Role of vanadium pentoxide hole-extracting nanolayer in rubrene/C70-based small molecule organic solar cells  

Science Journals Connector (OSTI)

Vanadium pentoxide (V2O5) was inserted between the donor layer and the anode as a hole-extracting nanolayer. Compared with devices without a hole-extracting layer, short-circuit current density (JSC), open-circuit ...

Zhen Zhan, Jing Cao, Weiguang Xie, Lintao Hou, Qin Ye, Pengyi Liu

2014-01-01T23:59:59.000Z

168

Implementation of a High-Throughput Screen for Identifying Small Molecules to Activate the Keap1-Nrf2-ARE Pathway  

E-Print Network (OSTI)

Nuclear factor erythroid 2-related factor 2 (Nrf2) is a transcription factor that induces a battery of cytoprotective genes involved in antioxidant defense through binding to Antioxidant Response Elements (ARE) located in the promoter regions...

Wu, Kai Connie; McDonald, Peter R.; Liu, Jie Jerry; Chaguturu, Rathnam; Klaassen, Curtis D.

2012-10-08T23:59:59.000Z

169

Synthesis of New Polyelectrolytes via Backbone Quaternization of Poly(aryloxy-and alkoxyphosphazenes) and their Small Molecule  

E-Print Network (OSTI)

the attention of many researchers. Solid-state polymeric electrolytes have many advantages over conventional, which make them ideal electrolytes for solid-state electrochemical devices such as high energy density-sensitized solar cells (DSSCs) have been under intensive investigation as a low cost alternative to silicon solar

170

Abstract 2681: EWS-FLI1 as a molecular target: Small molecule inhibitors for a disordered protein  

Science Journals Connector (OSTI)

...Identification of inhibitors for a disordered protein Julie S. Barber-Rotenberg...a significantly hydrophobic disordered protein with unknown three-dimensional...molecule design. Fortunately, disordered proteins have a greater potential for...

Julie S. Barber-Rotenberg; Yali Kong; Nilan Schnure; Sivanesan Dakshanamurthy; Peter Frazier; Hayriye V. Erkizan; Milton L. Brown; Aykut Uren; and Jeffrey A. Toretsky

2010-04-15T23:59:59.000Z

171

Discovery of New Small Molecules Targeting the Vitronectin-Binding Site of the Urokinase Receptor That Block Cancer Cell Invasion  

Science Journals Connector (OSTI)

...364 compounds) were extracted by the website (31) and prepared using LigPrep software...Protein Data Bank). Before starting the search, the binding site for vitronectin was...Biochem J 2001;358:673-9. 38. Bodary SC , McLean JW.The integrin beta 1 subunit...

Vincenza Elena Anna Rea; Antonio Lavecchia; Carmen Di Giovanni; Francesca Wanda Rossi; Anna Gorrasi; Ada Pesapane; Amato de Paulis; Pia Ragno; and Nunzia Montuori

2013-08-01T23:59:59.000Z

172

Identification of a Small Molecule Yeast TORC1 Inhibitor with a Multiplex Screen Based on Flow Cytometry  

E-Print Network (OSTI)

*,,,§ Center for Molecular Discovery, Cancer Research and Treatment Center, § Department of Pathology yeast. Each GFP-tagged clone was differentially color-coded, and the GFP signal of each clone confirmed in dose-response analysis to alter GFP expression in one or more clones. To validate the concept

Halazonetis, Thanos

173

Identification and design of small molecules that associate with aggregated Alzheimer's-related beta-amyloid peptides  

E-Print Network (OSTI)

Diamond TM water purification system from Barnstead (18.2 ?Diamond TM water purification system from Barnstead (18.2 ?

Bautista, Mahealani Roberts

2009-01-01T23:59:59.000Z

174

Control of structure and reactivity by ligand design : applications to small molecule activation by low-valent uranium complexes  

E-Print Network (OSTI)

coordination chemistry is depleted uranium, a by-product innuclear reactors. Depleted uranium Figure 1-1. The periodic

Lam, Oanh Phi

2010-01-01T23:59:59.000Z

175

Identification of Small Molecule Binding Molecules by Affinity Purification Using a Specific Ligand Immobilized on PEGA Resin  

Science Journals Connector (OSTI)

A synthetic ligand for FK506-binding protein 12 (SLF) was immobilized on various resins, and the binding assays between the SLF-immobilized resins and FK506-binding protein 12 (FKBP12) were performed. ... This matrix enabled the isolation of FKBP12 from a cell lysate, and the identification of SLF-binding peptides from a phage cDNA library. ... We confirmed the interaction between SLF and these peptides using a cuvette type quartz crystal microbalance (QCM) apparatus. ...

Kouji Kuramochi; Yuka Miyano; Yoshihiro Enomoto; Ryo Takeuchi; Kazutomo Ishi; Yoichi Takakusagi; Takeki Saitoh; Keishi Fukudome; Daisuke Manita; Yoshifumi Takeda; Susumu Kobayashi; Kengo Sakaguchi; Fumio Sugawara

2008-11-26T23:59:59.000Z

176

Surface structures from low energy electron diffraction: Atoms, small molecules and an ordered ice film on metal surfaces  

SciTech Connect

We investigated the surface bonding of various adsorbates (0, S, C{sub 2}H{sub 3} and NO) along with the resulting relaxation of the Pt(111) surface using low energy electron diffiraction (LEED). LEED experiments have been performed on these ordered overlayers along with theoretical structural analysis using automated tensor LEED (ATLEED). The resulting surface structures of these ordered overlayers exhibit similar adsorbate-induced relaxations. In all cases the adsorbate occupies the fcc hollow site and induces an approximately 0.1 A buckling of the metal surface. The three metal atoms directly bonded to the adsorbate are ``pulled`` out of the surface and the metal atom that is not bound to the adsorbate is `pushed`` inward. In order to understand the reliability of such details, we have carried out a comprehensive study of various non-structural parameters used in a LEED computation. We also studied the adsorption of water on the Pt(lll) surface. We ordered an ultra thin ice film on this surface. The film`s surface is found to be the (0001) face of hexagonal ice. This surface is apparently terminated by a full-bilayer, in which the uppermost water molecules have large vibrational amplitudes even at temperatures as low as 90 K. We examined two other metal surfaces besides Pt(111): Ni(111) and Fe(lll). On Ni(111), we have studied the surface under a high coverage of NO. On both Ni(111) and Pt(111) NO molecules occupy the hollow sites and the N-0 bond distances are practically identical. The challenging sample preparation of an Fe(111) surface has been investigated and a successful procedure has been obtained. The small interlayer spacing found on Fe(111) required special treatment in the LEED calculations. A new ATLEED program has been developed to handle this surface.

Materer, N.F.

1995-09-01T23:59:59.000Z

177

Discovery of New Small Molecules Targeting the Vitronectin-Binding Site of the Urokinase Receptor That Block Cancer Cell Invasion  

Science Journals Connector (OSTI)

...lamellipodia and only a round adhesion patch could be observed under the cell body...sites upon tissue remodeling, injury/repair, or under disease conditions (49...study used an integrated drug discovery pipeline consisting of molecular modeling approaches...

Vincenza Elena Anna Rea; Antonio Lavecchia; Carmen Di Giovanni; Francesca Wanda Rossi; Anna Gorrasi; Ada Pesapane; Amato de Paulis; Pia Ragno; and Nunzia Montuori

2013-08-01T23:59:59.000Z

178

Rescue of Fragile X Syndrome phenotypes in Fmr1 KO mice by the small molecule PAK inhibitor FRAX486  

E-Print Network (OSTI)

Autism is a diverse and complex family of disorders, and its prevalence is on the rise: 1 in 110 children have autism. There is no effective treatment for the symptoms which often include language and communication deficits, ...

Dolan, Bridget M

2012-01-01T23:59:59.000Z

179

STATEMENT OF CONSIDERATIONS REQUEST BY DUPONT DISPLAYS, INC. FORAN ADVANCE WAIVER OF DOMESTIC  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

DUPONT DISPLAYS, INC. FORAN ADVANCE WAIVER OF DOMESTIC DUPONT DISPLAYS, INC. FORAN ADVANCE WAIVER OF DOMESTIC AND FOREIGN INVENTION RIGHTS UNDER DOE CONTRACT NO. DE-EE0001269; W(A)-09-055, CH-1520 The Petitioner, DuPont Displays, Inc. was awarded this cooperative agreement for the performance of work entitled, "Solution-Processed Small-Molecule OLED (Organic Light Emitting Diode) Luminaire for Interior Illumination." According to its response to question 2, DuPont states that the work under this agreement will significantly improve the manufacturability of an OLED lighting panel based on solution processing of small molecule OLED materials; demonstrate and evaluate the cost effectiveness of solution processing techniques using small molecule OLED materials for SSL applications; and, improve efficiencies, lifetimes, and color rendering of OLED

180

Digital materials for digital fabrication  

E-Print Network (OSTI)

This thesis introduces digital materials by analogy with digital computation and digital communications. Traditional fabrication techniques include pick-and-place, roll-to-roll, molding, patterning and more. Current research ...

Popescu, George A

2007-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


181

High Speed Instrumentation for Inspection of transparent parts  

E-Print Network (OSTI)

In micro manufacturing (MEMS, polymer hot-embossing, polymer roll-to-roll imprint, etc.) precise micro and nano-sized features are distributed over large areas. In order to inspect for defects or employ statistical process ...

Ljubicic, Dean M

2013-01-01T23:59:59.000Z

182

Fuzzy-Logic Based Computation for Parameters Identification of Solar Cell Models  

Science Journals Connector (OSTI)

During the last few years, the production of the organic solar cells is rising in photovoltaic domain; it is due to the simple production technology such as: roll-to-roll or ... This fact by itself can reduce the...

Toufik Bendib; Fayçal Djeffal

2014-01-01T23:59:59.000Z

183

Discovery and preclinical evaluation of a novel class of small-molecule compounds in hormone-dependent and -independent cancer cell lines  

Science Journals Connector (OSTI)

...hurdle to overcome in a drug discovery program is the identification...inclusion in our anticancer drug discovery program. Pursuing development...2C with a 12-hour light-dark period. Animal care and manipulation...compound over a 20 kcal/mol energy range were generated using...

Carmen Plasencia; Raveendra Dayam; Qingcai Wang; Jacek Pinski; Terrence R. Burke, Jr.; David I. Quinn; and Nouri Neamati

2005-07-01T23:59:59.000Z

184

The Biochemical Investigation and Isolation of Small Molecule Inhibitors for Two Essential Proteins of Mycobacterium tuberculosis H37Rv: IspD and Wag31  

E-Print Network (OSTI)

residues that made it more flexible and may help explain the difference in the reaction kinetics between the two homologs. 1.3 Wag31 DivIVA family of proteins The DivIVA protein is highly conserved in gram positive bacteria. It is a cell division.... It is known that DivIVA localization at the poles is due to its recognition of the spherical inward curve of these cells near the poles compared to the remaining portion (which maintains a cylindrical curve which is less sharp). Furthermore, it has been...

Joseph, Sonia

2014-06-12T23:59:59.000Z

185

High Throughput Screening of Biologically Functional Small Molecules for Modulating the Expression of FGFR1OP2/wit3.0 in Fibroblasts  

E-Print Network (OSTI)

chemical in our final high throughput assay platform.platform. High Throughput Assay Optimization Most chemicals

Cheng, William J.

2012-01-01T23:59:59.000Z

186

Design of a Bioactive Small Molecule That Targets the Myotonic Dystrophy Type 1 RNA via an RNA Motif–Ligand Database and Chemical Similarity Searching  

E-Print Network (OSTI)

Myotonic dystrophy type 1 (DM1) is a triplet repeating disorder caused by expanded CTG repeats in the 3?-untranslated region of the dystrophia myotonica protein kinase (DMPK) gene. The transcribed repeats fold into an RNA ...

Parkesh, Raman

187

Discovery of Potent Small-Molecule Inhibitors of Multidrug-Resistant Plasmodium falciparum Using a Novel Miniaturized High-Throughput Luciferase-Based Assay  

Science Journals Connector (OSTI)

...ChemBridge DiverSet library to facilitate the...scaffolds. The ChemBridge library contains small sets...Health, College of Public Health, Tampa, FL). Compound libraries. The Penn Center...pharmacophore diversity spaces. Compounds were stored...

Edinson Lucumi; Claire Darling; Hyunil Jo; Andrew D. Napper; Rajesh Chandramohanadas; Nicholas Fisher; Alison E. Shone; Huiyan Jing; Stephen A. Ward; Giancarlo A. Biagini; William F. DeGrado; Scott L. Diamond; Doron C. Greenbaum

2010-06-14T23:59:59.000Z

188

[99mTcOAADT]-(CH2)2-NEt2: A Potential Small-Molecule Single-Photon Emission Computed Tomography Probe for Imaging Metastatic Melanoma  

Science Journals Connector (OSTI)

...in vivo behavior of Tc(V)oxo N2S2 complexes...419-25. 23 Petrescu SM, Petrescu A-J, Titu...States | 0 (technetium Tc 99m-O amine-amide-dithiol...Organotechnetium Compounds 0 Radiopharmaceuticals 7440-26-8 Technetium...use pharmacokinetics Radiopharmaceuticals diagnostic use pharmacokinetics...

Zhen Cheng; Ashfaq Mahmood; Huazhi Li; Alan Davison; and Alun G. Jones

2005-06-15T23:59:59.000Z

189

Description and procedures for synchrotron radiation, small molecule, single crystal crystallography of plutonium complexes at ALS beamline 11.3.1  

E-Print Network (OSTI)

Description and Procedures for Synchrotron Radiation, Smallof RWA 1117. The RWA 1117 procedure for mounting radioactiveRadioactive Crystal Mounting Procedure: Equipment: Glove Box

Gorden, A.E.V.; Raymond, K.N.; Shuh, D.K.

2008-01-01T23:59:59.000Z

190

Neutral and Cationic Vanadium Bisimido Complexes: Their Synthesis, Characterization, and Application in the Binding, Activation, and Catalytic Functionalization of Small Molecules  

E-Print Network (OSTI)

point of comparison is the V(III) (PNP ipr )VTe(CNXyl)2 (PNP ipr = N(2-PiPr 2 -4- methylphenyl) 2 ), which possessof 2164 cm -1 , and (PNP ipr )VTe(CNXyl) 2 has stretching

La Pierre, Henry Storms

2011-01-01T23:59:59.000Z

191

1. MEDICINAL CHEMISTRY OF A SMALL MOLECULE DRUG LEAD: TAMOXILOG. 2. ELECTRONIC COMMUNICATION THROUGH RUTHENIUM NANOPARTICLES: SYNTHESIS OF CUSTOM LIGANDS AND NANOPARTICLES  

E-Print Network (OSTI)

as pure crystals after cooling on ice and vacuum filtration.with occasional cooling on an ice bath. In a separate two-with occasional cooling on an ice bath. In a separate two-

Zuckerman, Nathaniel Benjamin

2012-01-01T23:59:59.000Z

192

Selective Inhibition of rDNA Transcription by a Small-Molecule Peptide That Targets the Interface between RNA Polymerase I and Rrn3  

Science Journals Connector (OSTI)

...WI-38 cells are a diploid cell line derived from normal, embryonic lung tissue that senesces in culture (adapted from the ATCC web site). As most of the studies demonstrating cell death were based on cultured tumor cells, we investigated the responses of...

Katrina Rothblum; Qiyue Hu; Yvonne Penrod; Lawrence I. Rothblum

2014-11-01T23:59:59.000Z

193

Novel Chemical Strategies for Labeling Small Molecule Ligands for Androgen, Progestin, and Peroxisome Proliferator-Activated Receptors for Imaging Prostate and Breast Cancer and the Heart  

SciTech Connect

Summary of Progress The specific aims of this project can be summarized as follows: • Aim 1: Prepare and evaluate radiolabeled ligands for the peroxisome proliferator-activated receptor ? (PPAR?), a new nuclear hormone receptor target for tumor imaging and hormone therapy. • Aim 2: Prepare steroids labeled with a cyclopentadienyl tricarbonyl technetium or rhenium unit. • Aim 3: Prepare and evaluate other organometallic systems of novel design as ligand mimics and halogenated ligands for nuclear hormone receptor-based tumor imaging. As is described in detail below, we made excellent progress on all three of these aims; the highlights of our progress are the following: • we have prepared the first fluorine-18 labeled analogs of ligands for the PPAR? receptor and used these in tissue distribution studies in rats • we have developed three new methods for the synthesis of cyclopentadienyltricarbonyl rhenium and technetium (CpRe(CO)3 and CpTc(CO)3) systems and we have adapted these to the synthesis of steroids labeled with these metals, as well as ligands for other receptor systems • we have prepared a number of fluorine-18 labeled steroidal and non-steroidal androgens and measured their tissue distribution in rats • we have prepared iodine and bromine-labeled progestins with high progesterone receptor binding affinity • we have prepared inorganic metal tricarbonyl complexes and steroid receptor ligands in which the metal tricarbonyl unit is an integral part off the ligand core.

Katzenellenbogen, John, A.

2007-04-19T23:59:59.000Z

194

Development of Chiral LC-MS Methods for small Molecules and Their Applications in the Analysis of Enantiomeric Composition and Pharmacokinetic Studies  

SciTech Connect

The purpose of this research was to develop sensitive LC-MS methods for enantiomeric separation and detection, and then apply these methods for determination of enantiomeric composition and for the study of pharmacokinetic and pharmacodynamic properties of a chiral nutraceutical. Our first study, evaluated the use of reverse phase and polar organic mode for chiral LC-API/MS method development. Reverse phase methods containing high water were found to decrease ionization efficiency in electrospray, while polar organic methods offered good compatibility and low limits of detection with ESI. The use of lower flow rates dramatically increased the sensitivity by an order of magnitude. Additionally, for rapid chiral screening, the coupled Chirobiotic column afforded great applicability for LC-MS method development. Our second study, continued with chiral LC-MS method development in this case for the normal phase mode. Ethoxynonafluorobutane, a fluorocarbon with low flammability and no flashpoint, was used as a substitute solvent for hexane/heptane mobile phases for LC-APCI/MS. Comparable chromatographic resolutions and selectivities were found using ENFB substituted mobile phase systems, although, peak efficiencies were significantly diminished. Limits of detection were either comparable or better for ENFB-MS over heptane-PDA detection. The miscibility of ENFB with a variety of commonly used organic modifiers provided for flexibility in method development. For APCI, lower flow rates did not increase sensitivity as significantly as was previously found for ESI-MS detection. The chiral analysis of native amino acids was evaluated using both APCI and ESI sources. For free amino acids and small peptides, APCI was found to have better sensitivities over ESI at high flow rates. For larger peptides, however, sensitivity was greatly improved with the use of electrospray. Additionally, sensitivity was enhanced with the use of non-volatile additives, This optimized method was then used to simultaneously separate all 19 native amino acids enantiomerically in less than 20 minutes, making it suitable for complex biological analysis. The previously developed amino acid method was then used to enantiomerically separate theanine, a free amino acid found in tea leaves. Native theanine was found to have lower limits of detection and better sensitivity over derivatized theanine samples. The native theanine method was then used to determine the enantiomeric composition of six commercially available L-theanine products. Five out of the six samples were found to be a racemic mixture of both D- and L-theanine. Concern over the efficacy of these theanine products led to our final study evaluating the pharmacokinetics and pharmacodynamics of theanine in rats using LC-ESI/MS. Rats were administered D-, L, and QL-theanine both orally and intra-peritoneally. Oral administration data demonstrated that intestinal absorption of L-theanine was greater than that of D-theanine, while i.p. data showed equal plasma uptake of both isomers. This suggested a possible competitive binding effect with respect to gut absorption. Additionally, it was found that regardless of administration method, the presence of the other enantiomer always decreased overall theanine plasma concentration. This indicated that D- and L- theanine exhibit competitive binding with respect to urinary reabsorption as well. The large quantities of D-theanine detected in the urine suggested that D-themine was eliminated with minimal metabolism, while L-theanine was preferentially reabsorbed and metabolized to ethylamine. Clearly, the metabolic fate of racemic theanine and its individual enantiomers was quite different, placing into doubt the utility of the commercial theanine products.

Meera Jay Desai

2004-12-19T23:59:59.000Z

195

A Small-Molecule Modulator of the Tumor-Suppressor miR34a Inhibits the Growth of Hepatocellular Carcinoma  

Science Journals Connector (OSTI)

...qRT-PCR) was performed using SYBR Green PCR Master Mix (TaKaRa). GAPDH was used...level was measured by qRT-PCR using SYBR Green PCR Master Mixture (Invitrogen). U6...microRNAs in mouse liver under aberrant energy metabolic status.J Lipid Res 2009;50...

Zhangang Xiao; Chi Han Li; Stephen L. Chan; Feiyue Xu; Lu Feng; Yan Wang; Jian-Dong Jiang; Joseph J.Y. Sung; Christopher H.K. Cheng; and Yangchao Chen

2014-11-01T23:59:59.000Z

196

Targeting Wild-Type and Mutant p53 with Small Molecule CP-31398 Blocks the Growth of Rhabdomyosarcoma by Inducing Reactive Oxygen Species–Dependent Apoptosis  

Science Journals Connector (OSTI)

...within the single cell gate is shown at the bottom...scatter properties (small gate), and apoptotic cells...shows mitotic figures (red arrow) and apoptosis...show mitotic figures (red arrows) and apoptosis...1994;22:3551-5. 9 Woods YL Lane DP. Exploiting...

Jianmin Xu; Laura Timares; Clay Heilpern; Zhiping Weng; Changzhao Li; Hui Xu; Joseph G. Pressey; Craig A. Elmets; Levy Kopelovich; and Mohammad Athar

2010-08-15T23:59:59.000Z

197

The development of a chemical biology pipeline for the identification of small molecules that induce cardiopoiesis in murine embryonic stem cells  

E-Print Network (OSTI)

of a Chemical Biology Pipeline for the Identification ofof a Chemical Biology Pipeline for the Identification ofhinge on the drug development pipeline and the importance of

Bushway, Paul Jay

2012-01-01T23:59:59.000Z

198

Efficiency Gains in Tracer Identification for Nuclear Imaging: Can In Vivo LC-MS/MS Evaluation of Small Molecules Screen for Successful PET Tracers?  

Science Journals Connector (OSTI)

In this retrospective analysis, we characterized the brain penetration or peak SUV (standardized uptake value), binding potential (BP), and brain exposure kinetics across a series of known, nonradiolabeled PET ligands using in vivo LC-MS/MS (liquid chromatography coupled to mass spectrometry) and correlated these parameters with the reported PET ligand performance in nonhuman primates and humans available in the literature. ... Biodistribution was investigated in mice and phosphorimages of brains were obtained from rats. ...

Elizabeth M. Joshi; Anne Need; John Schaus; Zhaogen Chen; Dana Benesh; Charles Mitch; Stuart Morton; Thomas J. Raub; Lee Phebus; Vanessa Barth

2014-09-23T23:59:59.000Z

199

1. MEDICINAL CHEMISTRY OF A SMALL MOLECULE DRUG LEAD: TAMOXILOG. 2. ELECTRONIC COMMUNICATION THROUGH RUTHENIUM NANOPARTICLES: SYNTHESIS OF CUSTOM LIGANDS AND NANOPARTICLES  

E-Print Network (OSTI)

lithium anion of 4.6, 26 derived in three steps from 2-methylthiophene, was expected to be used in excess

Zuckerman, Nathaniel Benjamin

2012-01-01T23:59:59.000Z

200

Abstract 3411: Targeting of EWS-FLI1 with small molecule YK-4-279 reduces xenograft growth by disruption of disordered protein-protein interactions  

Science Journals Connector (OSTI)

...xenograft growth by disruption of disordered protein-protein interactions Jeffrey A...revealed its significant intrinsically disordered regions. The intrinsically disordered regions enhance protein-protein interactions while presenting...

Jeffrey A. Toretsky; Hayriye V. Erkizan; Yali Kong; Melinda Merchant; Julie S. Barber-Rotenberg; Milton L. Brown; and Aykut Üren

2010-04-15T23:59:59.000Z

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


201

Phase I Dose-Escalating Study of SU11654, a Small Molecule Receptor Tyrosine Kinase Inhibitor, in Dogs with Spontaneous Malignancies ,  

Science Journals Connector (OSTI)

...two groups were expanded to 16 (2.5 mg/kg EOD) and 20 dogs (3.25 mg/kg EOD) to better define the toxicity, activity, and...began therapy at a dose of 2.5-3.25 mg/kg EOD, the current recommended dose and schedule is well...

Cheryl A. London; Alison L. Hannah; Regina Zadovoskaya; May B. Chien; Cynthia Kollias-Baker; Mona Rosenberg; Sue Downing; Gerald Post; Joseph Boucher; Narmada Shenoy; Dirk B. Mendel; Gerald McMahon; Julie M. Cherrington

2003-07-01T23:59:59.000Z

202

The chemistry of transition metal complexes related to solar energy storage : H? production and small molecule (CO? and HX; X = Cl, Br) chemistry.  

E-Print Network (OSTI)

The studies in this thesis have focused on the chemistry of transition metal complexes related to solar energy storage: electrochemical H? production, HX splitting and CO? activation mediated by transition metal complexes. ...

Lee, Changhoon, Ph. D. Massachusetts Institute of Technology

2011-01-01T23:59:59.000Z

203

Recent Advances in the Discovery of Small Molecule Inhibitors of Interleukin-1 Receptor-Associated Kinase 4 (IRAK4) as a Therapeutic Target for Inflammation and Oncology Disorders  

Science Journals Connector (OSTI)

Aberrant TLR and/or IL-1 family receptor signaling is implicated in rheumatoid arthritis (RA), systemic lupus erythematosus (SLE), inflammatory bowel disease, psoriasis, gout, and several rare autoimmune diseases. ... IL-1 inhibition in the clinic with anti-IL-1(47) and IL-1 receptor antagonist(48) has validated the relevance of blocking the IRAK4 signaling pathway in human gout, arthritis, Still’s disease, and Bechet’s disease. ... (76) We have also reported that pharmacologic inhibition of IRAK4 kinase function potently reduces the LPS induced TNF production response in vivo in female Lewis rats, reduces arthritis and inflammation clinical scores in mouse collagen induced arthritis (CIA), inhibits psoriatic responses in imiquimod induced mouse psoriasis, and is effective in the monosodium urate induced air pouch inflammation mouse model of human gout. ...

Divya Chaudhary; Shaughnessy Robinson; Donna L. Romero

2014-12-05T23:59:59.000Z

204

Targeting the von Hippel–Lindau E3 Ubiquitin Ligase Using Small Molecules To Disrupt the VHL/HIF-1? Interaction  

Science Journals Connector (OSTI)

This research was partially supported by the NIH AI084140, GM032136, the HFSP STF00017/2008 (Short-Term Fellowship to A.C.), the BBSRC BB/G023123/1 (David Phillips Fellowship to A.C.), and the EU PIEF-GA-2010-275683 (Marie-Curie Intra European Fellowship to I.V.M.) and FP7-PEOPLE-2008-IOF-234796 (Marie-Curie International Outgoing Fellowship to J.M.). ... Vassilev, L. T.; Vu, B. T.; Graves, B.; Carvajal, D.; Podlaski, F.; Filipovic, Z.; Kong, N.; Kammlott, U.; Lukacs, C.; Klein, C.; Fotouhi, N.; Liu, E. A. Science 2004, 303, 844 ...

Dennis L. Buckley; Inge Van Molle; Peter C. Gareiss; Hyun Seop Tae; Julien Michel; Devin J. Noblin; William L. Jorgensen; Alessio Ciulli; Craig M. Crews

2012-02-27T23:59:59.000Z

205

Size Matters: Incorporation of Poly(acrylic acid) and Small Molecules into Hierarchically Porous Metal Oxides Prepared with and without Templates  

Science Journals Connector (OSTI)

(2) It has been extensively studied as a radioactive waste storage material but synroc has yet to be structured into an adsorbent. ... It has been determined that in confined environments the incorporation of polyelectrolytes increases with molecular weight because long tails extend away from the metal oxide surface. ... Environmental Science and Technology (2005), 39 (5), 1324-1331 CODEN: ESTHAG; ISSN:0013-936X. ...

Glenna L. Drisko; Paolo Imperia; Massey de los Reyes; Vittorio Luca; Rachel A. Caruso

2010-07-27T23:59:59.000Z

206

Synthesis and Exploratory Catalysis of 3d Metals: Group-Transfer Reactions, and the Activation and Functionalization of Small Molecules Including Greenhouse Gases  

SciTech Connect

Our work over the past three years has resulted in the development of electron rich and low-coordinate vanadium fragments, molecular nitrides of vanadium and parent imide systems of titanium, and the synthesis of phosphorus containing molecules of the 3d transition metal series. Likewise, with financial support from BES Division in DOE (DE-FG02-07ER15893), we now completed the full characterization of the first single molecular magnet (SMM) of Fe(III). We demonstrated that this monomeric form of Fe(III) has an unusual slow relaxation of the magnetization under zero applied field. To make matters more interesting, this system also undergoes a rare example of an intermediate to high-spin transition (an S = 3/2 to S = 5/2 transition). In 2010 we reported the synthesis of the first neutral and low-coordinate vanadium complexes having the terminal nitride functionality. We have now completed a full study to understand formation of the nitride ligand from the metastable azide precursor, and have also explored the reactivity of the nitride ligand in the context of incomplete and complete N-atom transfer. During the 2010-2013 period we also discovered a facile approach to assemble low-coordinate and low-valent vanadium(II) complexes and exploit their multielectron chemistry ranging from 1-3 electrons. Consequently, we can now access 3d ligand frameworks such as cyclo-P3 (and its corresponding radical anion), nitride radical anions and cations, low-coordinate vanadium oxo’s, and the first example of a vanadium thionitrosyl complex. A cis-divacant iron(IV) imido having some ligand centered radical has been also discovered, and we are in the process of elucidating its electronic structure (in particular the sign of zero field splitting and the origin of its magnitude), bonding and reactivity. We have also revisited some paramagnetic and classic metallocene compounds with S >1/2 ground states in order to understand their reactivity patterns and electronic structure. Lastly, we are completing the synthesis and characterization of a titanium nitride anion and formation of the first example of boryl and aluminyl imido titanium complexes.

Mindiola, Daniel J.

2014-05-07T23:59:59.000Z

207

Mechanism study of a small molecule F18 as a novel anti-HIV-1 non-nucleoside reverse transcriptase inhibitor.  

E-Print Network (OSTI)

???Non-nucleoside reverse transcriptase inhibitor (NNRTI) is one of the key components of antiretroviral drug regimen against human immunodeficiency virus type-1 (HIV-1) replication. However, the low… (more)

???.

2012-01-01T23:59:59.000Z

208

Small Molecule Agonists of the Orphan Nuclear Receptors Steroidogenic Factor-1 (SF-1, NR5A1) and Liver Receptor Homologue-1 (LRH-1, NR5A2)  

SciTech Connect

The crystal structure of LRH-1 ligand binding domain bound to our previously reported agonist 3-(E-oct-4-en-4-yl)-1-phenylamino-2-phenyl-cis-bicyclo[3.3.0]oct-2-ene 5 is described. Two new classes of agonists in which the bridgehead anilino group from our first series was replaced with an alkoxy or 1-ethenyl group were designed, synthesized, and tested for activity in a peptide recruitment assay. Both new classes gave very active compounds, particularly against SF-1. Structure-activity studies led to excellent dual-LRH-1/SF-1 agonists (e.g., RJW100) as well as compounds selective for LRH-1 (RJW101) and SF-1 (RJW102 and RJW103). The series based on 1-ethenyl substitution was acid stable, overcoming a significant drawback of our original bridgehead anilino-substituted series. Initial studies on the regulation of gene expression in human cell lines showed excellent, reproducible activity at endogenous target genes.

Whitby, Richard J.; Stec, Jozef; Blind, Raymond D.; Dixon, Sally; Leesnitzer, Lisa M.; Orband-Miller, Lisa A.; Williams, Shawn P.; Willson, Timothy M.; Xu, Robert; Zuercher, William J.; Cai, Fang; Ingraham, Holly A. (GSKNC); (Southampton); (UCSF)

2011-09-27T23:59:59.000Z

209

General method to solution-process multilayer polymer light-emitting diodes  

E-Print Network (OSTI)

-emitting diodes. This method can be applied to arbitrary combinations of polymers with no restriction on solvents. One green- and two blue-emitting polymers are chosen as the emissive layers. The electron-hole balance But these methods are only restricted to spe- cific polymers combined with specific solvents. Until now

210

Analysis of energy saving for ammonium sulfate solution processing with self-heat recuperation principle  

Science Journals Connector (OSTI)

Abstract As an important production process, the evaporative concentration of the inorganic salt solution is extensively applied in the industry, and it is significant to investigate the energy saving potential of such evaporation systems. In the paper, taking the ammonium sulfate solution for example, the self-heat recuperation technology (SHRT) is utilized to design two mechanical vapor recompression (MVR) systems, and the relevant energy saving performance is analyzed. It is found that the designed systems, which are satisfied with SHTR, enable the recovery of the sensible and latent heat of the emission solution without any additional heat, and compared to the conventional three-effect evaporation system, the energy saving performance are more prominent. However, in view of the existence of the boiling point elevation (BPE) for the inorganic salt solution, a maximum reduction amplitude of 40% of the energy saving performance for the double-stage MVR system is obtained compared with the single-stage MVR system. As a result, it is concluded that the only satisfaction to the SHRT is not enough, and the pattern of the MVR system should also be considered to ensure a prominent energy saving performance.

Dong Han; Weifeng He; Chen Yue; Wenhao Pu; Lin Liang

2014-01-01T23:59:59.000Z

211

Fully Solution-Processed Copper Chalcopyrite Thin Film Solar Cells: Materials Chemistry, Processing, and Device Physics  

E-Print Network (OSTI)

nanowire networks as window layers in thin film solar cells.window layer for fully solution-deposited thin filmITO) thin films by silver nanowire composite window layers

Chung, Choong-Heui

2012-01-01T23:59:59.000Z

212

Additive Manufacturing as Integral Part of the Digital Solution Process - An Industrial Short Note  

Science Journals Connector (OSTI)

Within the last years additive manufacturing established itself in the industrial environment as ... technological possibility to reduce time-to-market and manufacturing costs and to take in account even...

Klaus Müller-Lohmeier

2013-01-01T23:59:59.000Z

213

Enhancing performing characteristics of organic semiconducting films by improved solution processing  

DOE Patents (OSTI)

Improved processing methods for enhanced properties of conjugated polymer films are disclosed, as well as the enhanced conjugated polymer films produced thereby. Addition of low molecular weight alkyl-containing molecules to solutions used to form conjugated polymer films leads to improved photoconductivity and improvements in other electronic properties. The enhanced conjugated polymer films can be used in a variety of electronic devices, such as solar cells and photodiodes.

Bazan, Guillermo C; Moses, Daniel; Peet, Jeffrey; Heeger, Alan J

2014-05-13T23:59:59.000Z

214

Fully Solution-Processed Copper Chalcopyrite Thin Film Solar Cells: Materials Chemistry, Processing, and Device Physics  

E-Print Network (OSTI)

CuIn(Se,S) 2 solar cell with a PCE of 11.1% under dark andpower conversion efficiency (PCE) of around 20% among thinAchievement of such high PCE can be largely ascribed to the

Chung, Choong-Heui

2012-01-01T23:59:59.000Z

215

Self-Organizing Mesomorphic Diketopyrrolopyrrole Derivatives for Efficient Solution-Processed Organic Solar Cells  

Science Journals Connector (OSTI)

Organic solar cells (OSCs) are drawing considerable interest for the great promise as a next-generation clean and renewable energy source. ... T.Y. is grateful for the financial support from the Murata Science Foundation, the Fujifilm Award in Synthetic Organic Chemistry, and Kyushu University Interdisciplinary Programs in Education and Projects in Research Development. ... utilizing a novel 4,9-bis(2-ethylhexyloxy)naphtho[1,2-b:5,6-b']dithiophene "zig-zag" core (zNDT) exhibits high hole mobility, upshifted frontier MO energies, and enhanced photovoltaic cell short-circuit currents, fill-factors, and power conversion efficiencies (4.7%) vs. the linear NDT isomer. ...

Woong Shin; Takuma Yasuda; Go Watanabe; Yu Seok Yang; Chihaya Adachi

2013-06-05T23:59:59.000Z

216

Metallocene/carbon hybrids prepared by a solution process for supercapacitor applications  

E-Print Network (OSTI)

Efficient and scalable solution-based processes are not generally available to integrate well-studied pseudocapacitive materials (i.e., metal oxides and conducting polymers) with other components such as porous carbon, ...

Mao, Xianwen

217

Designing solution-processable air-stable liquid crystalline crosslinkable semiconductors  

Science Journals Connector (OSTI)

...liquid crystal (LC) displays, flexible organic light emitting diode displays, low frequency radio frequency identification...liquid crystal (LC) displays, flexible organic light emitting diode displays, low frequency radio frequency identification...

2006-01-01T23:59:59.000Z

218

Solution-processed colloidal quantum dot photovoltaics: A perspective Ratan Debnath,a  

E-Print Network (OSTI)

, Ontario, M5S 3G4, Canada. E-mail: ted.sargent@utoronto.ca b Center for Solar and Alternative Energy. Introduction Deployed solar cells today are predominantly first-generation devices based on silicon. Single photovoltaics have, with only a half-decade's intense activity, reached above 5% solar power conversion

219

Laser Assisted Nanomanufacturing with Solution Processed Nanoparticles for Low-cost Electronics and Photovoltaics  

E-Print Network (OSTI)

Electronics and Photovoltaics by Heng Pan A dissertationcost Electronics and Photovoltaics Copyright © 2009 By HengLow-cost Electronics and Photovoltaics by Heng Pan Doctor of

Pan, Heng

2009-01-01T23:59:59.000Z

220

Fully Solution-Processed Copper Chalcopyrite Thin Film Solar Cells: Materials Chemistry, Processing, and Device Physics  

E-Print Network (OSTI)

energy sources, the potential of solar energy is the mostuse of solar cells as an energy source [2]. Therefore, thinspread use of solar cells as a renewable energy source [2].

Chung, Choong-Heui

2012-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
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they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


221

Development of Inorganic Precursors for Manufacturing of Photovoltaic Devices: Cooperative Research and Development Final Report, CRADA Number CRD-08-308  

SciTech Connect

Both NREL and Rohm and Haas Electronic Materials are interested in the development of solution phase metal and semiconductive precursors for the manufacturing of photovoltaic devices. In particular, we intend to develop material sets for atmospheric deposition processes. The cooperation between these two parties will enable high value materials and processing solutions for the manufacturing of low cost, roll-to-roll photovoltaics.

van Hest, M.; Ginley, D.

2013-06-01T23:59:59.000Z

222

IMPRINTED MICROFLUIDIC DEVICE FOR BIOIN-SPIRED DETECTION OF AVIAN INFLUNZA VIRUS  

E-Print Network (OSTI)

IMPRINTED MICROFLUIDIC DEVICE FOR BIOIN- SPIRED DETECTION OF AVIAN INFLUNZA VIRUS USING NANOWIRES for the detection of avian influenza virus. A roll-to-roll im- printed microfluidic device suitable for simple process were integrated to the designed microfluidic chip (Figure 1). Using this system, we developed

223

Bulk Heterojunction Organic Solar Cells utilizing a Benzothiadiazole-based Oligomer  

E-Print Network (OSTI)

Advantages over silicon solar cells · Roll-to-roll manufacturing lowers costs through a faster rate cells, which have issues of their own, will remain the dominant solar energy provider and the world to find a viable option to alleviate global energy concerns. One proposed solution, the organic solar cell

Collins, Gary S.

224

Air-stable ink for scalable, high-throughput layer deposition  

DOE Patents (OSTI)

A method for producing and depositing air-stable, easily decomposable, vulcanized ink on any of a wide range of substrates is disclosed. The ink enables high-volume production of optoelectronic and/or electronic devices using scalable production methods, such as roll-to-roll transfer, fast rolling processes, and the like.

Weil, Benjamin D; Connor, Stephen T; Cui, Yi

2014-02-11T23:59:59.000Z

225

STATEMENT OF CONSIDERATIONS  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

0, 0, W(A) 2010-036, CH-1567 The Petitioner, General Electric Global Research (GE) was awarded the subject cooperative agreement with DOE for the performance of work entitled, "Roil-to-Roll Solution- Processable Small Molecule OLEOS". Under this agreement, GE will modify its Roil-to-Roll OLEO line, develop solution-processable OLEOs (including device architecture, solutions formulations, and processes) and then produce high performance solution-processed OLEOs using the modified roll-to-roliline. The work under this agreement is expected to take place from April 9, 2010 through March 30,2012. The total amount of the contract is $7,999,922, with GE providing $3,999,961 or 50%. DOE is providing the remaining cost-share of 50% $3,999,961. Note GE's subcontractor DuPont

226

Identification of a Broad-Spectrum Antiviral Small Molecule against Severe Acute Respiratory Syndrome Coronavirus and Ebola, Hendra, and Nipah Viruses by Using a Novel High-Throughput Screening Assay  

Science Journals Connector (OSTI)

...processing of the Hendra virus fusion protein. J. Virol. 79 :12714-12720...fusogenic form of the Nipah virus fusion protein requires proteolytic...Jin, T Van Phan, ML Smythe, HF White, and SW Oliver. 1993...syndrome coronavirus class I fusion protein upstream of rather than...

Hatem A. Elshabrawy; Jilao Fan; Christine S. Haddad; Kiira Ratia; Christopher C. Broder; Michael Caffrey; Bellur S. Prabhakar

2014-02-05T23:59:59.000Z

227

Small-Molecule Screening Using a Whole-Cell Viral Replication Reporter Gene Assay Identifies 2-{[2-(Benzoylamino)Benzoyl]Amino}-Benzoic Acid as a Novel Antiadenoviral Compound  

Science Journals Connector (OSTI)

...br s, 1H); for 13C (100 MHz, DMSO-d6), 117.8, 120...as follows: for 1H NMR (400 MHz, DMSO-d6), 7.21 (t...were incubated at 37C in an atmosphere of 5 CO2 for 24 h. GFP expression...Effect of ribavirin on the plasma viral DNA load in patients with...

Emma K. Andersson; Mårten Strand; Karin Edlund; Kristina Lindman; Per-Anders Enquist; Sara Spjut; Annika Allard; Mikael Elofsson; Ya-Fang Mei; Göran Wadell

2010-06-28T23:59:59.000Z

228

A Small-Molecule Screen Identifies l-Kynurenine as a Competitive Inhibitor of TAA1/TAR Activity in Ethylene-Directed Auxin Biosynthesis and Root Growth in Arabidopsis  

Science Journals Connector (OSTI)

...formula, molecular weight, market names, and functions. The...To speed up the interaction energy calculation, the subprogram...calculate the grid interaction energy between the probe of the compound...According to scoring, binding energy, and chemical reasonableness...

Wenrong He; Javier Brumos; Hongjiang Li; Yusi Ji; Meng Ke; Xinqi Gong; Qinglong Zeng; Wenyang Li; Xinyan Zhang; Fengying An; Xing Wen; Pengpeng Li; Jinfang Chu; Xiaohong Sun; Cunyu Yan; Nieng Yan; De-Yu Xie; Natasha Raikhel; Zhenbiao Yang; Anna N. Stepanova; Jose M. Alonso; Hongwei Guo

2011-11-22T23:59:59.000Z

229

Successful data recovery from oscillation photographs containing strong polycrystalline diffraction rings from an unknown small-molecule contaminant: preliminary structure solution of Salmonella typhimurium pyridoxal kinase (PdxK)  

Science Journals Connector (OSTI)

Pyridoxal kinase (PdxK) from S. typhimurium was cloned, purified and crystallized. Successful structure solution was accomplished in spite of strong polycrystalline noise in the oscillation images.

Deka, G.

2014-03-25T23:59:59.000Z

230

Photoconductivity from PbS-nanocrystal/semiconducting polymer composites for solution-processible, quantum-size tunable  

E-Print Network (OSTI)

doped with semiconductor nanoclusters (CdS) in 1992.12 Since then, others have studied charge separation

231

The Effect of Solution Processing on the Power Conversion Efficiency of P3HT-based Organic Solar Cells  

Science Journals Connector (OSTI)

Abstract Chloroform, Chlorobenzene, 1, 2-Dichlorobenze and co-solvent Chlorobenzene with Chloroform (1:1) were used to investigate the influence of the solvent on the morphology of P3HT:PCBM (with the ratio 1:1) as well as the photovoltaic properties of organic solar cells based on this polymer blend. Using co-solvents leads to higher absorption intensity as compared to other studied solvents. XRD measurements reveal improved crystallinity in P3HT films prepared by chloroform and chlorobenzene while large aggregates appeared in films prepared using dichlorobenzene. Films produced using co-solvents show well-ordered structure and improved crystallinity; these results were further confirmed by SEM images. The J(V) measurements show that a maximum PCE of 1.47% is obtained in films produced using co-solvents. This was associated with significant improvement in current density (11.77 mA/cm2) and a fill factor of 0.4 which was determined from the series and shunt resistances. Open circuit voltage has decreased in film prepared by co-solvents (0.31 Volt), and improved significantly (0.54 Volt) in film prepared in chloroform.

Burak Y. Kadem; Mohammed K. Al-hashimi; A.K. Hassan

2014-01-01T23:59:59.000Z

232

www.365-city.com laseronsale.com  

E-Print Network (OSTI)

-reflection technology ­ Multiple exciton generation: quantum dot solar cell ­ Flexible solar cells http://aizenberglab.seas.harvard.edu/ima ges/StartPage/image_rotation/img24.jpg Applied SunFabTM (Gen 8.5) #12;6 · Solar cells (Photovoltaic #12;7 Section of 300-ft. long roll-to-roll solar cell manufacturing line Energy Conversion Devices

Hung, Shih-Hao

233

Energy Level Alignment in PCDTBT:PC70BM Solar Cells: Solution Processed NiOx for Improved Hole Collection and Efficiency  

SciTech Connect

Solution-based NiO{sub x} outperforms PEDOT:PSS in device performance and stability when used as a hole-collection layer in bulk-heterojunction (BHJ) solar cells formed with poly[N-9'-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)] (PCDTBT) and PC70BM. The origin of the enhancement is clarified by studying the interfacial energy level alignment between PCDTBT or the 1:4 blended heterojunctions and PEDOT:PSS or NiO{sub x} using ultraviolet and inverse photoemission spectroscopies. The 1.6 eV electronic gap of PEDOT:PSS and energy level alignment with the BHJ result in poor hole selectivity of PEDOT:PSS and allows electron recombination at the PEDOT:PSS/BHJ interface. Conversely, the large band gap (3.7 eV) of NiO{sub x} and interfacial dipole (0.6 eV) with the organic active layer leads to a hole-selective interface. This interfacial dipole yields enhanced electron blocking properties by increasing the barrier to electron injection. The presence of such a strong dipole is predicted to further promote hole collection from the organic layer into the oxide, resulting in increased fill factor and short circuit current. An overall decrease in recombination is manifested in an increase in open circuit voltage and power conversion efficiency of the device on NiO{sub x} versus PEDOT:PSS interlayers.

Ratcliff, E. L.; Meyer, J.; Steirer, K. X.; Armstrong, N. R.; Olson, D.; Kahn, A.

2012-05-01T23:59:59.000Z

234

Solution Processed MoS2-PVA Composite for Sub-Bandgap Mode-Locking of a Wideband Tunable Ultrafast Er:Fiber Laser  

E-Print Network (OSTI)

.!Introduction!Low+dimensional! nanomaterials! hold! great!potential! for! photonic! applications! due! to! their!remarkable! optoelectronic! properties.! In! recent!years,!carbon!nanotubes!(CNTs)!and!graphene,!one+! (1d)! and! two+dimensional! (2d)! materials... !Res!!DOI!(automatically inserted by the publisher) Research!Article! ! 3 second!and!third!harmonic!generation![10,!11],!and!four+wave!mixing![2,!12].!While! graphene! has! attracted! much! research!interest! for! photonics! and! optoelectronics! to! date![13],!it!is...

Zhang, Meng; Howe, Richard C. T.; Woodward, Robert I.; Kelleher, Edmund J. R.; Torrisi, Felice; Hu, Guohua; Popov, Sergei V.; Taylor, J. Roy; Hasan, Tawfique

2014-11-11T23:59:59.000Z

235

A DMF-assisted solution process boosts the efficiency in P3HT:PCBM solar cells up to 5.31%  

Science Journals Connector (OSTI)

To achieve ideal phase separation in P3HT:PCBM (1:1, w/w) blend films, a selective second solvent, DMF, which cannot dissolve P3HT but slightly dissolves PCBM, was added into 1,2-dichlorobenzene. Addition of 10% DMF led to better charge transport, better morphology and average power conversion efficiency (PCE) enhancement from 3.75% to 4.29%. To form an acceptor rich layer near the cathode and achieve effective vertical phase separation, PCBM solution in DMF was spin-coated on the top surface of the P3HT:PCBM active layer. The PCBM rich layer enhanced hole blocking and electron transport, leading to an average PCE improvement from 4.29% to 4.83% (for the PCBM rich layer formed by a 2 mg ml?1 PCBM solution). Finally, to obtain more uniform and smooth films with better contact of Ca/PCBM and BHJ/PCBM interfaces, the films were thermally annealed at 120?° C for 10 min after spin coating the PCBM rich layer, leading to an average PCE enhancement from 4.83% to 5.17% (the best PCE was 5.31%).

Pei Cheng; Yongfang Li; Xiaowei Zhan

2013-01-01T23:59:59.000Z

236

Low-Cost Label-Free Electrical Detection of Artificial DNA Nanostructures Using Solution-Processed Oxide Thin-Film Transistors  

Science Journals Connector (OSTI)

As stabilizers, monoethanolamine (MEA) and acetic acid (CH3COOH) were dropped to ameliorate the solubility of the precursors and make a homogeneous IGZO solution, respectively. ... Prepared DNA-covered mica sheet was attached onto the metal puck using instant glue and 5 ?L of DX solution, 30 ?L of 1 × TAE/Mg2+ buffer was dropped onto the mica and 10 ?L of 1 × TAE/Mg2+ buffer was mounted onto the AFM tip (A NP-S oxide-sharpened silicon nitride tip). ... The original influence of water on the back-channel of sol-gel derived amorphous indium-gallium-zinc-oxide thin film transistors was studied in various relative humidity environments. ...

Si Joon Kim; Joohye Jung; Keun Woo Lee; Doo Hyun Yoon; Tae Soo Jung; Sreekantha Reddy Dugasani; Sung Ha Park; Hyun Jae Kim

2013-09-27T23:59:59.000Z

237

ChemBioChem 2002, 3, 859 865 2002 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim 1439-4227/02/03/09 $ 20.00+.50/0 859 Selection of Small-Molecule Mediators of the  

E-Print Network (OSTI)

-Dependent Protein Kinase Coby B. Carlson, Richard J. Spanggord, and Peter A. Beal*[a] The RNA-dependent protein

Beal, Peter A.

238

17 - Organic solar cells (OSCs)  

Science Journals Connector (OSTI)

Abstract The organic solar cell (OSC) is the only solar cell technology that fully addresses the challenges of manufacturing on a scale corresponding to an energy production capacity of 1 \\{GWpeak\\} per day based solely on abundant elements. This ability arises through the use of printing techniques and photoactive layers comprising carbon-based conjugated polymer materials. The technology is briefly reviewed in this chapter by describing the common device structures and materials. The second half of the chapter gives an overview on suitable roll-to-roll (R2R) processing techniques for the fabrication of OSCs. Finally some demonstration projects and future trends are illustrated.

M. Hösel; D. Angmo; F.C. Krebs

2013-01-01T23:59:59.000Z

239

Efficient, air-stable colloidal quantum dot solar cells encapsulated using atomic layer deposition of a nanolaminate barrier  

SciTech Connect

Atomic layer deposition was used to encapsulate colloidal quantum dot solar cells. A nanolaminate layer consisting of alternating alumina and zirconia films provided a robust gas permeation barrier which prevented device performance degradation over a period of multiple weeks. Unencapsulated cells stored in ambient and nitrogen environments demonstrated significant performance losses over the same period. The encapsulated cell also exhibited stable performance under constant simulated solar illumination without filtration of harsh ultraviolet photons. This monolithically integrated thin film encapsulation method is promising for roll-to-roll processed high efficiency nanocrystal solar cells.

Ip, Alexander H.; Labelle, André J.; Sargent, Edward H., E-mail: ted.sargent@utoronto.ca [Department of Electrical and Computer Engineering, University of Toronto, 10 King's College Road, Toronto, Ontario M5S 3G4 (Canada)

2013-12-23T23:59:59.000Z

240

Tension control of web of winder span using adaptive gain control method  

Science Journals Connector (OSTI)

One of the most important issues concerning the handling of the web in a roll-to-roll printing system is tension control of the web. In particular, the tension controls for the winders, including both the un-winder and re-winder, are required for the stable supply of the web and collecting of the printed electronic devices in the form of a roll without causing defects in the devices, respectively. The web tension control of the winder span requires time-variable control gains because the dynamics of the web vary with the winder roller radius. If fixed gains are used to control the web tension of the winder span regardless of changes in the radius of the winder roller, the tension could be unstable. Therefore, previous studies have tried to control the web tension of the winder span while considering the time-variable characteristics of the web dynamics by changing proportional-integral-derivative (PID) gains according to the roll radius or by applying adaptive control methods. However, most of these studies were limited to simulations. In this study, different types of fuzzy-PID controllers were applied to control winder tensions considering the dynamic characteristics of winders in a roll-to-roll system. A modified fuzzy-PID method is suggested that adjusts PID gains to correspond to changes in the dynamics of the web of the re-winder. PID gains based on these fuzzy rules vary within a range of positive values according to changes in the un-winder roller radius as opposed to the conventional fuzzy-PID controller, in which the fuzzy rules vary from negative to positive. On the other hand, the conventional fuzzy-PID controller is applied to the re-winder control to improve the response considering dynamics characteristics of re-winder that differs from that of re-winder. The proposed method was applied to the tension controls of the un-winder and re-winder of an actual roll-to-roll system and was verified through experiments. Both the simulation and experimental results showed that the proposed method can successfully control the web tension of winder systems.

Jong-Chan Park; Sung Woong Jeon; Ki Sang Nam; Lei Liu; Junfeng Sun; Chung Hwan Kim

2014-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


241

Categorical Exclusion Determinations: B3.6 | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

November 26, 2012 November 26, 2012 CX-009612: Categorical Exclusion Determination Supplemental Immobilization of Simulated Hanford Low Activity Waste CX(s) Applied: B3.6 Date: 11/26/2012 Location(s): South Carolina Offices(s): Savannah River Operations Office November 21, 2012 CX-009536: Categorical Exclusion Determination In-situ Roll-to-Roll Printing of Highly Efficient Organic Solar Cells CX(s) Applied: A9, B3.6 Date: 11/21/2012 Location(s): California Offices(s): Golden Field Office November 21, 2012 CX-009537: Categorical Exclusion Determination In-Situ X-Ray Analysis of Rapid Thermal Processing for Thin-Fil Solar Cells CX(s) Applied: A9, B1.31, B3.6 Date: 11/21/2012 Location(s): California, Colorado Offices(s): Golden Field Office November 19, 2012 CX-009544: Categorical Exclusion Determination

242

TY CONF  

NLE Websites -- All DOE Office Websites (Extended Search)

Empirical assessment of a prismatic daylight redirecting window Empirical assessment of a prismatic daylight redirecting window film in a full scale office testbed T2 Illuminating Engineering Society IES Annual Conference A1 Anothai Thanachareonkit A1 Eleanor S Lee A1 Andrew McNeil KW building energy efficiency KW daylighting KW microstructure film KW prismatic film KW windows AB p Daylight redirecting systems with vertical windows have the potential to offset lighting energy use in deep perimeter zones Microstructured prismatic window films can be manufactured using low cost roll to roll fabrication methods and adhered to the inside surface of existing windows as a retrofit measure or installed as a replacement insulating glass unit in the clerestory portion of the window wall A clear film patterned with linear micrometer high four sided asymmetrical prisms was fabricated

243

Empirical assessment of a prismatic daylight-redirecting window film in a full-scale office testbed  

NLE Websites -- All DOE Office Websites (Extended Search)

for presentation to the IESNA 2013 Annual Conference, Huntington Beach, CA, for presentation to the IESNA 2013 Annual Conference, Huntington Beach, CA, October 26-29, 2013 and for publication in Leukos, the journal of the IESNA. Empirical assessment of a prismatic daylight- redirecting window film in a full-scale office testbed Anothai Thanachareonkit, Eleanor S. Lee, Andrew McNeil Building Technologies and Urban Systems Department, Environmental Energy Technologies Division, Lawrence Berkeley National Laboratory, Mailstop 90-3111, 1 Cyclotron Road, Berkeley, CA 94720 USA Abstract Daylight redirecting systems with vertical windows have the potential to offset lighting energy use in deep perimeter zones. Microstructured prismatic window films can be manufactured using low-cost, roll-to-roll fabrication methods and adhered to the inside surface of existing

244

Monolithic amorphous silicon modules on continuous polymer substrate  

SciTech Connect

This report examines manufacturing monolithic amorphous silicon modules on a continuous polymer substrate. Module production costs can be reduced by increasing module performance, expanding production, and improving and modifying production processes. Material costs can be reduced by developing processes that use a 1-mil polyimide substrate and multilayers of low-cost material for the front encapsulant. Research to speed up a-Si and ZnO deposition rates is needed to improve throughputs. To keep throughput rates compatible with depositions, multibeam fiber optic delivery systems for laser scribing can be used. However, mechanical scribing systems promise even higher throughputs. Tandem cells and production experience can increase device efficiency and stability. Two alternative manufacturing processes are described: (1) wet etching and sheet handling and (2) wet etching and roll-to-roll fabrication.

Grimmer, D.P. (Iowa Thin Film Technologies, Inc., Ames, IA (United States))

1992-03-01T23:59:59.000Z

245

Atmospheric pressure spatial atomic layer deposition web coating with in situ monitoring of film thickness  

SciTech Connect

Spectral reflectometry was implemented as a method for in situ thickness monitoring in a spatial atomic layer deposition (ALD) system. Al{sub 2}O{sub 3} films were grown on a moving polymer web substrate at 100?°C using an atmospheric pressure ALD web coating system, with film growth of 0.11–0.13?nm/cycle. The modular coating head design and the in situ monitoring allowed for the characterization and optimization of the trimethylaluminum and water precursor exposures, purge flows, and web speed. A thickness uniformity of ±2% was achieved across the web. ALD cycle times as low as 76?ms were demonstrated with a web speed of 1?m/s and a vertical gap height of 0.5?mm. This atmospheric pressure ALD system with in situ process control demonstrates the feasibility of low-cost, high throughput roll-to-roll ALD.

Yersak, Alexander S.; Lee, Yung C. [Department of Mechanical Engineering, University of Colorado at Boulder, 1045 Regent Drive, 422 UCB, Boulder, Colorado 80309-0422 (United States); Spencer, Joseph A.; Groner, Markus D., E-mail: mgroner@aldnanosolutions.com [ALD NanoSolutions, Inc., 580 Burbank Street, Unit 100, Broomfield, Colorado 80020 (United States)

2014-01-15T23:59:59.000Z

246

Active barrier films of PET for solar cell application: Processing and characterization  

SciTech Connect

A preliminary investigation was carried out on the possibility to improve the protective action offered by the standard multilayer structures used to encapsulate photovoltaic devices. With this aim, a commercial active barrier PET-based material, able to absorb oxygen when activated by liquid water, was used to produce flexible and transparent active barrier films, by means of a lab-scale film production plant. The obtained film, tested in terms of thermal, optical and oxygen absorption properties, shows a slow oxygen absorption kinetics, an acceptable transparency and an easy roll-to-roll processability, so proving itself as a good candidate for the development of protective coating for solar cells against the atmospheric degradation agents like the rain.

Rossi, Gabriella; Scarfato, Paola; Incarnato, Loredana [Department of Industrial Engineering, University of Salerno, Via Giovanni Paolo II, 132 - 84084 Fisciano (Italy)

2014-05-15T23:59:59.000Z

247

Applying Infrared Thermography as a Quality-Control Tool for the Rapid Detection of Proton-Electrolyte-Membrane-Fuel-Cell Catalyst-Layer-Thickness Variations  

SciTech Connect

As fuel cells become more prominent, new manufacturing and production methods are needed to enable increased volumes with high quality. One necessary component of this industrial growth will be the accurate measurement of the variability of a wide range of material properties during the manufacturing process. In this study, a method to detect defects in fuel cell catalyst layers is investigated through experiment and mathematical simulation. The method uses infrared thermography and direct-current electronic-excitation methods to detect variations in platinum-containing catalyst-layer thickness with high spatial and temporal resolution. Data analysis, operating-condition impacts, and detection limits are explored, showing the measurement of defects on the millimeter length scale. Overall, the experimental and modeling results demonstrate great potential of this technique as a nondestructive method to measure defects that is amenable to use on roll-to-roll manufacturing lines.

Aieta, N. V.; Das, P. K.; Perdue, A.; Bender, G.; Herring, A. M.; Weber, A. Z.; Ulsh, M. J.

2012-08-01T23:59:59.000Z

248

Low AC Loss YBCO Coated Conductor Geometry by Direct Inkjet Printing  

SciTech Connect

The second generation (2G) high temperature superconductors (HTS) wire offers potential benefits for many electric power applications, including ones requiring filamentized conductors with low ac loss, such as transformers and fault current limiters. However, the use of 2G wire in these applications requires the development of both novel multi-filamentary conductor designs with lower ac losses and the development of advanced manufacturing technologies that enable the low-cost manufacturing of these filamentized architectures. This Phase I SBIR project focused on testing inkjet printing as a potential low-cost, roll-to-roll manufacturing technique to fabricate potential low ac loss filamentized architectures directly on the 2G template strips.

Rupich, Martin, Dr. [American Superconductor Corporation; Duckworth, Robert, Dr. [Oak Ridge National Laboratory

2009-10-01T23:59:59.000Z

249

E-Print Network 3.0 - anti-androgen flutamide kills Sample Search...  

NLE Websites -- All DOE Office Websites (Extended Search)

containing small molecules in personal care products Summary: %), thymol (99%), triclosan (97%), flutamide and vinclozolin were purchased from Sigma-Aldrich (St. Louis, MO......

250

E-Print Network 3.0 - assisted peritoneal dialysis Sample Search...  

NLE Websites -- All DOE Office Websites (Extended Search)

review Practical considerations in refolding proteins from inclusion bodies Summary: , removal of the denaturant, and assistance of refolding by small molecule additives. We...

251

Organic Photovoltaics | Center for Energy Efficient Materials  

NLE Websites -- All DOE Office Websites (Extended Search)

polymer and small molecule semiconductor blends that function as the active layer in solar cell devices. The effort brings together a cohesive and mutually complementary set of...

252

Pyrolysis of Organic Molecules Relevant to Combustion as Monitored by Photoionization Time-of-Flight Mass Spectrometry  

E-Print Network (OSTI)

of Small Molecules by Flash Pyrolysis, University ofapproach of coupling flash pyrolysis of the compound ofZhang, Chairperson Flash pyrolysis coupled to molecular beam

Weber, Kevin Howard

2010-01-01T23:59:59.000Z

253

Thermal Decomposition of Molecules Relevant to Combustion and Chemical Vapor Deposition by Flash Pyrolysis Time-of-Flight Mass Spectrometry  

E-Print Network (OSTI)

of Small Molecules by Flash Pyrolysis, University ofwas performed using flash pyrolysis vacuum-ultraviolet time-Vapor Deposition by Flash Pyrolysis Time-of-Flight Mass

Lemieux, Jessy Mario

2013-01-01T23:59:59.000Z

254

E-Print Network 3.0 - autoprocessing enzyme tag Sample Search...  

NLE Websites -- All DOE Office Websites (Extended Search)

and Medicine 58 Chemical proteomics and its application to drug discovery Douglas A Jeffery Summary: of synthetic small molecules that can be used to covalently modify a set...

255

E-Print Network 3.0 - antineoplastic combined chemotherapy protocols...  

NLE Websites -- All DOE Office Websites (Extended Search)

Genetics, Cell Biology and Development, University of Minnesota Collection: Biology and Medicine 8 Nanotechnology Nanotechnology approaches for drug and small molecule delivery...

256

Nanocrystal Solar Cells  

E-Print Network (OSTI)

research on organic photovoltaic cells since small molecule10 years prior (4). Photovoltaic cells with an active layerof the associated photovoltaic cells. 2.4 Charge transport

Gur, Ilan

2006-01-01T23:59:59.000Z

257

Structure-Based Design and Synthesis of Potent Cyclic Peptides Inhibiting the YAP–TEAD Protein–Protein Interaction  

Science Journals Connector (OSTI)

Nle ... All this information should be very useful in the search for peptidomimetic and small molecule inhibitors of the YAP–TEAD interaction. ...

Zhisen Zhang; Zhaohu Lin; Zheng Zhou; Hong C. Shen; S. Frank Yan; Alexander V. Mayweg; Zhiheng Xu; Ning Qin; Jason C. Wong; Zhenshan Zhang; Yiping Rong; David C. Fry; Taishan Hu

2014-07-14T23:59:59.000Z

258

Ethylene synthesis and sensitivity in crop plants.  

E-Print Network (OSTI)

?? The gaseous plant hormone ethylene is a small molecule that regulates developmental change. Research was conducted in three areas: sensitivity, synthesis, and alterations to… (more)

Romagnano, Joseph F.

2008-01-01T23:59:59.000Z

259

Ethylene Synthesis and Sensitivity in Crop Plants.  

E-Print Network (OSTI)

??The gaseous plant hormone ethylene is a small molecule that regulates developmental change. Research was conducted in three areas: sensitivity, synthesis, and alterations to synthesis.… (more)

Romagnano, Joseph F.

2008-01-01T23:59:59.000Z

260

CoverSheet  

Office of Scientific and Technical Information (OSTI)

...... targe t Sensing platform Label Label-free Metal ions Small molecules proteins Virus Cells According to instruments According to probes According to targets Signal...

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


261

E-Print Network 3.0 - abrogates son binding Sample Search Results  

NLE Websites -- All DOE Office Websites (Extended Search)

at San Diego Collection: Biology and Medicine 68 Selective Small Molecules Blocking HIV-1 Tat and Coactivator PCAF Association Summary: in binding (9 vs 5). Surprisingly,...

262

Structure and allosteric regulation of the X 2 integrin I domain  

E-Print Network (OSTI)

that of small G proteins, with seven amphipathic helices surrounding a hydro- phobic -sheet core (15). A Mg2 ion by small molecules th

Springer, Timothy A.

263

E-Print Network 3.0 - antimycobacterial agent tetrahydrolipstatin...  

NLE Websites -- All DOE Office Websites (Extended Search)

biosynthesis evaluated by activity-based protein profiling Summary: by two small-molecule agents, RHC80267 and tetrahydrolipstatin (THL)2,4 (Fig. 1), which have been...

264

Abstract 951: CB-5083 is a novel first in class p97 inhibitor that disrupts cellular protein homeostasis and demonstrates anti-tumor activity in solid and hematological models  

Science Journals Connector (OSTI)

...characterization of a novel class of small molecules to inhibit...characterization of a novel chemical class to directly bind the c-myc...final compound with three times greater potency. The chosen compound...characterization of a novel class of small molecules to inhibit...

Ronan L. Moigne; Steve Wong; Ferdie Soriano; Eduardo Valle; Daniel J. Anderson; Stevan Djakovic; Mary-Kamala Menon; Bing Yao; Julie Rice; Jinhai Wang; Szerenke Kiss Von Soly; Brajesh Kumar; Marta Chesi; P. Leif Bergsagel; Han-Jie Zhou; David Wustrow; Mark Rolfe; and F. Michael Yakes

2014-10-01T23:59:59.000Z

265

Chemistry 6181 MWF 11:05 Course title: "Chemical Crystallography"  

E-Print Network (OSTI)

analysis of small molecules and materials (not macromolecules) using x-ray and neutron elastic scattering analysis of small molecules and materials using x-ray and neutron elastic scattering 2) Production) Interaction of x-rays and neutrons with mater a. Coherent elastic scattering, incoherent elastic scattering

Sherrill, David

266

Abstract 699: Mesenchymal stem cells (MSC) as cell-based vectors for PSA-activated proaerolysin to sites of prostate cancer  

Science Journals Connector (OSTI)

...small molecule inhibitors can have nonspecific...efficient method using chitosan nanoparticles...small molecule inhibitors or monoclonal antibodies...recently developed chitosan nanoparticles that...Src family kinase inhibitor, dasatinib (BMS-354825...Park YS, et alA chitosan hydrogel-based...

W. Nathaniel Brennen; Oren Levy; Sudhir Ranganath; Michael Schweizer; Marc Rosen; Sandrine Billet; Neil Bhowmick; Samuel Denmeade; Jeffrey Karp; and John Isaacs

2014-10-01T23:59:59.000Z

267

Research at GenentechResearch at Genentech Michael Varney, Ph.D.  

E-Print Network (OSTI)

1 Research at GenentechResearch at Genentech Michael Varney, Ph.D. Vice President, Small Molecule Drug Discovery Michael Varney, Ph.D. Vice President, Small Molecule Drug Discovery #12;2 · Genentech Drugs Biotech Pharmaceutical Human Insulin Growth Hormone Factor VII Factor VIII Monoclonal Antibodies

Puglisi, Joseph

268

Mini review Practical considerations in refolding proteins from inclusion bodies  

E-Print Network (OSTI)

, removal of the denaturant, and assistance of refolding by small molecule additives. We will review key concentration, and (3) the effect of small molecule additives on refolding and aggregation of the proteins. Ã?- nomic sequence database, on a rapid, large-scale pro- duction of recombinant proteins. The proteins thus

Lebendiker, Mario

269

H Foundation Pilot Project Awards  

E-Print Network (OSTI)

chemistry, molecular modeling, and small-molecule purification. These capabilities include hit evaluation; assay validation with small scale screen of selected chemical or biological library members · Large facility offers automated liquid handling down to nanoliter volumes, access to 70,000 small molecules

270

14%-efficient flexible CdTe solar cells on ultra-thin glass substrates  

SciTech Connect

Flexible glass enables high-temperature, roll-to-roll processing of superstrate devices with higher photocurrents than flexible polymer foils because of its higher optical transmission. Using flexible glass in our high-temperature CdTe process, we achieved a certified record conversion efficiency of 14.05% for a flexible CdTe solar cell. Little has been reported on the flexibility of CdTe devices, so we investigated the effects of three different static bending conditions on device performance. We observed a consistent trend of increased short-circuit current and fill factor, whereas the open-circuit voltage consistently dropped. The quantum efficiency under the same static bend condition showed no change in the response. After storage in a flexed state for 24 h, there was very little change in device efficiency relative to its unflexed state. This indicates that flexible glass is a suitable replacement for rigid glass substrates, and that CdTe solar cells can tolerate bending without a decrease in device performance.

Rance, W. L.; Burst, J. M.; Reese, M. O.; Gessert, T. A.; Metzger, W. K.; Barnes, T. M. [National Renewable Energy Laboratory, Golden, Colorado 80401 (United States); Meysing, D. M.; Wolden, C. A. [Colorado School of Mines, Golden, Colorado 80401 (United States); Garner, S.; Cimo, P. [Corning Incorporated, Corning, New York 14831 (United States)

2014-04-07T23:59:59.000Z

271

Final Technical Report CONDUCTIVE COATINGS FOR SOLAR CELLS USING CARBON NANOTUBES  

SciTech Connect

US Department of Energy (DOE) awarded a grant for Eikos Inc. to investigate the feasibility of developing and utilizing Transparent Conducting Coatings (TCCs) based on carbon nanotubes (CNT) for solar cell applications. Conventional solar cells today employ metal oxide based TCCs with both Electrical Resistivity (R) and Optical Transparency (T), commonly referred to as optoelectronic (RT) performance significantly higher than with those possible with CNT based TCCs available today. Transparent metal oxide based coatings are also inherently brittle requiring high temperature in vacuum processing and are thus expensive to manufacture. One such material is indium tin oxide (ITO). Global demand for indium has recently increased rapidly while supply has diminished causing substantial spikes in raw material cost and availability. In contrast, the raw material, carbon, needed for CNT fabrication is abundantly available. Transparent Conducting Coatings based on CNTs can overcome not only cost and availability constraints while also offering the ability to be applied by existing, low cost process technologies under ambient conditions. Processes thus can readily be designed both for rigid and flexible PV technology platforms based on mature spray or dip coatings for silicon based solar cells and continuous roll to roll coating processes for polymer solar applications.

Paul J Glatkowski; Jorma Peltola; Christopher Weeks; Mike Trottier; David Britz

2007-09-30T23:59:59.000Z

272

Worldwide outdoor round robin study of organic photovoltaic devices and modules  

Science Journals Connector (OSTI)

Abstract Accurate characterization and reporting of organic photovoltaic (OPV) device performance remains one of the important challenges in the field. The large spread among the efficiencies of devices with the same structure reported by different groups is significantly caused by different procedures and equipment used during testing. The presented article addresses this issue by offering a new method of device testing using “suitcase sample” approach combined with outdoor testing that limits the diversity of the equipment, and a strict measurement protocol. A round robin outdoor characterization of roll-to-roll coated OPV cells and modules conducted among 46 laboratories worldwide is presented, where the samples and the testing equipment were integrated in a compact suitcase that served both as a sample transportation tool and as a holder and test equipment during testing. In addition, an internet based coordination was used via plasticphotovoltaics.org that allowed fast and efficient communication among participants and provided a controlled reporting format for the results that eased the analysis of the data. The reported deviations among the laboratories were limited to 5% when compared to the Si reference device integrated in the suitcase and were up to 8% when calculated using the local irradiance data. Therefore, this method offers a fast, cheap and efficient tool for sample sharing and testing that allows conducting outdoor measurements of OPV devices in a reproducible manner.

Morten V. Madsen; Suren A. Gevorgyan; R. Pacios; J. Ajuria; I. Etxebarria; Jeff Kettle; Noel D. Bristow; Marios Neophytou; Stelios A. Choulis; Lucimara Stolz Roman; Teketel Yohannes; Andrea Cester; Pei Cheng; Xiaowei Zhan; Jiang Wu; Zhiyuan Xie; Wei-Chen Tu; Jr-Hau He; Christopher J Fell; Kenrick Anderson; Martin Hermenau; Davide Bartesaghi; L. Jan Anton Koster; Florian Machui; Irene González-Valls; Monica Lira-Cantu; Petr P. Khlyabich; Barry C. Thompson; Ritu Gupta; Kiruthika Shanmugam; Giridhar U. Kulkarni; Yulia Galagan; Antonio Urbina; Jose Abad; Roland Roesch; Harald Hoppe; P. Morvillo; E. Bobeico; Eugen Panaitescu; Latika Menon; Qun Luo; Zhenwu Wu; Changqi Ma; Artak Hambarian; Varuzhan Melikyan; M. Hambsch; Paul L. Burn; Paul Meredith; Thomas Rath; Sebastian Dunst; Gregor Trimmel; Giorgio Bardizza; Harald Müllejans; A.E. Goryachev; Ravi K. Misra; Eugene A. Katz; Katsuhiko Takagi; Shinichi Magaino; Hidenori Saito; Daisuke Aoki; Paul M. Sommeling; Jan M. Kroon; Tim Vangerven; Jean Manca; Jurgen Kesters; Wouter Maes; Olga D. Bobkova; Vasily A. Trukhanov; Dmitry Yu. Paraschuk; Fernando A. Castro; James Blakesley; Sachetan M Tuladhar; Jason Alexander Röhr; Jenny Nelson; Jiangbin Xia; Elif Alturk Parlak; Tülay Asl? Tumay; Hans-Joachim Egelhaaf; David M. Tanenbaum; Gretta Mae Ferguson; Robert Carpenter; Hongzheng Chen; Birger Zimmermann; Lionel Hirsch; Guillaume Wantz; Ziqi Sun; Pradeep Singh; Chaitnya Bapat; Ton Offermans; Frederik C. Krebs

2014-01-01T23:59:59.000Z

273

Organic Semiconductors for Low—Cost Solar Cells  

Science Journals Connector (OSTI)

The current cost of solar electricity derived from silicon photovoltaics is about 30 to 40 cents per kilowatt—hour. This cost is similar to peak—power charges in California during the height of summer thus establishing a partial path to economic viability. However this competitiveness is not viable in other seasons and many other locations. This paper will discuss the basic theory and progress of a new class of photovoltaic semiconductors derived from organic polymer materials. These materials have obtained promising results with 5% conversion efficiency. In addition these materials can be manufactured relatively easily by using printing technologies and roll?to?roll coating machines similar to those used to make photographic film or newspapers. Solar cells made this way would not only be cheaper but could also be incorporated into roofing materials to reduce installation costs. Organic semiconductors can be dissolved in common solvents and sprayed or printed onto substrates so they are very promising candidates for the solar production of electricity.

Michael D. McGehee; Chiatzun Goh

2008-01-01T23:59:59.000Z

274

Nanomanufacturing : nano-structured materials made layer-by-layer.  

SciTech Connect

Large-scale, high-throughput production of nano-structured materials (i.e. nanomanufacturing) is a strategic area in manufacturing, with markets projected to exceed $1T by 2015. Nanomanufacturing is still in its infancy; process/product developments are costly and only touch on potential opportunities enabled by growing nanoscience discoveries. The greatest promise for high-volume manufacturing lies in age-old coating and imprinting operations. For materials with tailored nm-scale structure, imprinting/embossing must be achieved at high speeds (roll-to-roll) and/or over large areas (batch operation) with feature sizes less than 100 nm. Dispersion coatings with nanoparticles can also tailor structure through self- or directed-assembly. Layering films structured with these processes have tremendous potential for efficient manufacturing of microelectronics, photovoltaics and other topical nano-structured devices. This project is designed to perform the requisite R and D to bring Sandia's technology base in computational mechanics to bear on this scale-up problem. Project focus is enforced by addressing a promising imprinting process currently being commercialized.

Cox, James V.; Cheng, Shengfeng; Grest, Gary Stephen; Tjiptowidjojo, Kristianto (University of New Mexico); Reedy, Earl David, Jr.; Fan, Hongyou; Schunk, Peter Randall; Chandross, Michael Evan; Roberts, Scott A.

2011-10-01T23:59:59.000Z

275

A Predictably Selective Aliphatic C–H Oxidation Reaction for Complex Molecule Synthesis  

Science Journals Connector (OSTI)

...selective. We report an iron (Fe)–based small molecule...herein report an electrophilic iron catalyst, 4, with a...O-i-Pr) 2 . acac, acetylacetonate; DET, diethyl tartrate. Several nonheme iron complexes have shown promising...

Mark S. Chen; M. Christina White

2007-11-02T23:59:59.000Z

276

Late transition metal bimetallics for photocatalytic hydrogen production, M-X and C-H bond activation  

E-Print Network (OSTI)

Broadly defined this thesis has focused on the design and study of molecular catalysts that engender multi-electron reactions and photoreactions on small molecule substrates relevant to solar energy conversion. Specifically ...

Esswein, Arthur J

2007-01-01T23:59:59.000Z

277

Gordon Research Conferences  

Science Journals Connector (OSTI)

...simulations." R. Wolf, "Plasma sheet confusion." C...for multiscaled space plasma phenome-na." A...Mechoso, "Modeling atmospheric phenomena of differing...high resolution (10 MHz) spectra of small molecules...genes in Anthirrhinum." Plasma Chemistry Tilton School...

Alexander M. Cruickshank

1990-03-02T23:59:59.000Z

278

Contributions of charge-density research to medicinal chemistry  

Science Journals Connector (OSTI)

Contributions of experimental and selected theoretical charge-density research to medicinal chemistry are reviewed; combining experimental methods from high-resolution small-molecule and macromolecular crystallography with theory proves to be fruitful.

Dittrich, B.

2014-09-23T23:59:59.000Z

279

Synthesis, Characterization, and Oxygenation Studies of Carboxylate-Bridged Diiron(II) Complexes with Aromatic Substrates Tethered to Pyridine Ligands and the Formation of a Unique Trinuclear Complex  

E-Print Network (OSTI)

In this study, diiron(II) complexes were synthesized as small molecule mimics of the reduced active sites in the hydroxylase components of bacterial multicomponent monooxygenases (BMMs). Tethered aromatic substrates were ...

Friedle, Simone

280

Organic Solar Cells with Inverted and Tandem Structures  

Science Journals Connector (OSTI)

During the past decade, organic solar cells have attracted great attention due to their ... Although the technologies of small molecule and polymer solar cells have advanced significantly, the efficiency and stab...

De Wei Zhao; Aung Ko Ko Kyaw; Xiao Wei Sun

2011-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


281

A-432411, a novel indolinone compound that disrupts spindle pole formation and inhibits human cancer cell growth  

Science Journals Connector (OSTI)

American Association for Cancer Research Article A-432411, a novel indolinone compound that disrupts spindle pole formation...therapies and for the development of new anticancer drugs. A-432411 is a novel small molecule that destabilizes microtubules...

Zehan Chen; Philip J. Merta; Nan-Hong Lin; Stephen K. Tahir; Peter Kovar; Hing L. Sham; and Haiying Zhang

282

nature photonics | VOL 3 | OCTOBER 2009 | www.nature.com/naturephotonics 569 review article  

E-Print Network (OSTI)

to the processing of optoelectronic devices. This work provides insight into the growth of thin films­26], which is a crystalline small molecule with significant potential for optoelectronic devices [27,28], due

Yang, Peidong

283

High Mass Accuracy and High Mass Resolving Power FT-ICR Secondary...  

NLE Websites -- All DOE Office Websites (Extended Search)

small molecules and fragments. For the first time, ultra-high mass resolving power SIMS has been demonstrated, with m?m50% > 3,000,000. Higher spatial resolution...

284

Thermal analysis of biochemical systems  

E-Print Network (OSTI)

Scientists, both academic and industrial, develop two main types of drugs: 1) small molecule drugs, which are usually chemically synthesized and are taken orally and 2) large molecule, biotherapeutic, or protein-based ...

McEuen, Scott Jacob

2013-01-01T23:59:59.000Z

285

Self-assembly and hydrogelation of Fmoc-phenylalanine derivatives.  

E-Print Network (OSTI)

??The ability of peptides and small molecules to spontaneously self-assemble into amyloid-like fibrils has been exploited in the development of noncovalent hydrogels. Noncovalent hydrogels have… (more)

Ryan, Derek M. (1985 - )

2012-01-01T23:59:59.000Z

286

Pulling Apart Molecular Magnetism  

E-Print Network (OSTI)

A single molecule constitutes the ultimate nanometer-scale object through which electronic transport can take place. Being so small, molecules share many characteristics with atoms, such as discrete quantized energy spectra ...

Jarillo-Herrero, Pablo

287

Solution-Phase Parallel Synthesis of Acyclic Nucleoside Libraries of Purine, Pyrimidine, and Triazole Acetamides  

Science Journals Connector (OSTI)

(b) Andres, C. J.; Denhart, D. J.; Deshpande, M. S.; Gillman, K. W.Recent advances in the solid phase synthesis of druglike heterocyclic small molecules Comb. ... Andres, C. J.; Denhart, Derek J.; Deshpande, Milind S.; Gillman, Kevin W. ...

Ashish K. Pathak; Vibha Pathak; Robert C. Reynolds

2014-06-16T23:59:59.000Z

288

Studies on Oximidine II - Total Synthesis by an Unprecedented Reductive Coupling  

E-Print Network (OSTI)

studies revealed 4 small molecules as potential leads for further optimization. Dioxins are environmental pollutants that cause a range of biological effects in a dose-dependent manner. The exact mechanism of action for dioxins is not fully understood. 2...

Schneider, Christopher Mark

2009-10-20T23:59:59.000Z

289

Phase-Transfer Catalysis: Polymerization and Polymer Modification  

Science Journals Connector (OSTI)

Early in the development of “small molecule” synthesis by phase-transfer catalytic techniques, the principles of PTC were applied to various aspects of polymer research. Indeed, during the last 15 years an eno...

Charles M. Starks; Charles L. Liotta; Marc E. Halpern

1994-01-01T23:59:59.000Z

290

A phase 2 consortium (P2C) trial of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (3-AP) for advanced adenocarcinoma of the pancreas  

Science Journals Connector (OSTI)

...3-Aminopyridine-2-carboxaldehyde thiosemicarbazone (3-AP, Triapine®) is a novel small molecule inhibitor of ribonucleotide reductase (RR) with clinical signs of activity in pancreatic cancer. Therefore, the Ph...

Steven Attia; Jill Kolesar; Michelle R. Mahoney…

2008-08-01T23:59:59.000Z

291

Controlling the Growth and Catalytic Activity of Platinum Nanoparticles Using Peptide and Polymer Ligands /  

E-Print Network (OSTI)

cells have been heavily investigated as potential alternatives to internal combustion engines for producing electricity from a fuel (hydrogen,fuel cells, they can be used as stationary or portable power devices, and they utilize small molecules such as hydrogen,

Forbes, Lauren Marie

2013-01-01T23:59:59.000Z

292

Towards predictive resistance models for agrochemicals by combining chemical and protein similarity via proteochemometric modelling  

Science Journals Connector (OSTI)

The binding affinity between a ligand (e.g. a small molecule or RNAi) [26, 1], and a target (usually a protein, but potentially a ribosomal target) [18], is governed by properties of both ligand and target (and t...

Gerard J. P. van Westen; Andreas Bender; John P. Overington

2014-10-01T23:59:59.000Z

293

Pharmacological Profiling of Kinase Dependency in Cell Lines across Triple-Negative Breast Cancer Subtypes  

Science Journals Connector (OSTI)

...gene expression and were proposed to predict sensitivity to a variety of therapeutic agents including kinase inhibitors. To test this hypothesis, we screened a large collection of well-characterized, small molecule kinase inhibitors for growth inhibition...

Lauren S. Fink; Alexander Beatty; Karthik Devarajan; Suraj Peri; Jeffrey R. Peterson

294

Development of New Absorber Materials to Achieve Organic Photovoltaic Commercial Modules with 15% Efficiency and 20 Years Lifetime: Cooperative Research and Development Final Report, CRADA Number CRD-12-498  

SciTech Connect

Under this CRADA the parties will develop intermediates or materials that can be employed as the active layer in dye sensitized solar cells printed polymer systems, or small molecule organic photovoltaics.

Olson, D.

2014-08-01T23:59:59.000Z

295

MASSACHUSETTS INSTITUTE OF TECHNOLOGY YOUR DOOR TO  

E-Print Network (OSTI)

of continuous synthesis and purification of small molecules. Covers advantages and challenges of flow Chemistry: Continuous Synthesis and Purification of Pharmaceuticals and Fine Chemicals Lead Instructors: T problem, automation, and scale-up strategies. Emphasizes cutti

Jackson, Daniel

296

Building biomedical materials layer-by-layer  

E-Print Network (OSTI)

In this materials perspective, the promise of water based layer-by-layer (LbL) assembly as a means of generating drug-releasing surfaces for biomedical applications, from small molecule therapeutics to biologic drugs and ...

Hammond, Paula T.

297

Disease-modifying pathways in neurodegeneration  

E-Print Network (OSTI)

therapeutic small molecules (Beal and Ferrante, 2004). ForSchwarcz and Kohler, 1983; Beal et al. , 1986; Davies anddeath. Nature 431:805– 810. Beal MF, Ferrante RJ (2004)

Finkbeiner, S; Cuervo, A M; Morimoto, R I; Muchowski, Paul J

2006-01-01T23:59:59.000Z

298

Empirical assessment of a prismatic daylight-redirecting window film in a  

NLE Websites -- All DOE Office Websites (Extended Search)

Empirical assessment of a prismatic daylight-redirecting window film in a Empirical assessment of a prismatic daylight-redirecting window film in a full-scale office testbed Title Empirical assessment of a prismatic daylight-redirecting window film in a full-scale office testbed Publication Type Conference Paper LBNL Report Number LBNL-6496E Year of Publication 2013 Authors Thanachareonkit, Anothai, Eleanor S. Lee, and Andrew McNeil Conference Name Illuminating Engineering Society (IES) Annual Conference 2013 Date Published 10/2013 Conference Location Huntington Beach, California Keywords building energy efficiency., daylighting, microstructure film, prismatic film, windows Abstract Daylight redirecting systems with vertical windows have the potential to offset lighting energy use in deep perimeter zones. Microstructured prismatic window films can be manufactured using low-cost, roll-to-roll fabrication methods and adhered to the inside surface of existing windows as a retrofit measure or installed as a replacement insulating glass unit in the clerestory portion of the window wall. A clear film patterned with linear, 50-250 micrometer high, four-sided asymmetrical prisms was fabricated and installed in the south-facing, clerestory low-e, clear glazed windows of a full-scale testbed facility. Views through the film were distorted. The film was evaluated in a sunny climate over a two-year period to gauge daylighting and visual comfort performance. The daylighting aperture was small (window-to-wall ratio of 0.18) and the lower windows were blocked off to isolate the evaluation to the window film. Workplane illuminance measurements were made in the 4.6 m (15 ft) deep room furnished as a private office. Analysis of discomfort glare was conducted using high dynamic range imaging coupled with the evalglare software tool, which computes the daylight glare= probability and other metrics used to evaluate visual discomfort.

299

Sputtered Nickel Oxide Thin Film for Efficient Hole Transport Layer in Polymer-Fullerene Bulk-Heterojunction Organic Solar Cell  

SciTech Connect

Bulk-heterojunction (BHJ) organic photovoltaics (OPV) are very promising thin film renewable energy conversion technologies due to low production cost by high-throughput roll-to-roll manufacturing, an expansive list of compatible materials, and flexible device fabrication. An important aspect of OPV device efficiency is good contact engineering. The use of oxide thin films for this application offers increased design flexibility and improved chemical stability. Here we present our investigation of radio frequency magnetron sputtered nickel oxide (NiO{sub x}) deposited from oxide targets as an efficient, easily scalable hole transport layer (HTL) with variable work-function, ranging from 4.8 to 5.8 eV. Differences in HTL work-function were not found to result in statistically significant changes in open circuit voltage (V{sub oc}) for poly(3-hexylthiophene):[6,6]-phenyl-C{sub 61}-butyric acid methyl ester (P3HT:PCBM) BHJ device. Ultraviolet photoemission spectroscopy (UPS) characterization of the NiO{sub x} film and its interface with the polymer shows Fermi level alignment of the polymer with the NiO{sub x} film. UPS of the blend also demonstrates Fermi level alignment of the organic active layer with the HTL, consistent with the lack of correlation between V{sub oc} and HTL work-function. Instead, trends in j{sub sc}, V{sub oc}, and thus overall device performance are related to the surface treatment of the HTL prior to active layer deposition through changes in active layer thickness.

Widjonarko, N. E.; Ratcliff, E. L.; Perkins, C. L.; Sigdel, A. K.; Zakutayev, A.; Ndione, P. F.; Gillaspie, D. T.; Ginley, D. S.; Olson, D. C.; Berry, J. J.

2012-03-01T23:59:59.000Z

300

Cost-effective ITO-free organic solar cells with silver nanowire–PEDOT:PSS composite electrodes via a one-step spray deposition method  

Science Journals Connector (OSTI)

Abstract We demonstrate cost-effective, indium tin oxide (ITO)-free organic solar cells (OSCs) fabricated with a silver nanowire (AgNW)–poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) composite electrode. The composite films were prepared with a one-step spray-coating of a mixture composed of AgNW and a highly conductive, dimethylsulfoxide (DMSO)-treated PEDOT:PSS (hcPEDOT). The film-thickness, optical transmittance, and sheet resistance of AgNW–hcPEDOT hybrid electrodes were easily controlled by varying the spray deposition time. With AgNW–hcPEDOT composite electrodes, the devices exhibited high power conversion efficiencies of up to 2.16% under 100 mW cm?2 and AM 1.5G illumination conditions. In addition, the surface of the AgNW–hcPEDOT composite electrodes was further smoothened with an additional spray-coated PEDOT:PSS buffer layer, leading to reduced shorting and improved cell-efficiency. As a result, the best performing devices with a AgNW–hcPEDOT electrode and spray-coated PEDOT buffer exhibited efficiencies of up to 2.65%, which approaches that of conventional ITO-based devices. These results indicate that the one-step spray-coated AgNW–hcPEDOT composite-based film is a viable alternative to the high-cost and vacuum-deposited ITO for mass-production and low-cost roll-to-roll based solar cells.

Yong-Jin Noh; Seok-Soon Kim; Tae-Wook Kim; Seok-In Na

2014-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


301

Applying infrared thermography as a quality-control tool for the rapid  

NLE Websites -- All DOE Office Websites (Extended Search)

Applying infrared thermography as a quality-control tool for the rapid Applying infrared thermography as a quality-control tool for the rapid detection of polymer-electrolyte-membrane-fuel-cell catalyst-layer-thickness variations Title Applying infrared thermography as a quality-control tool for the rapid detection of polymer-electrolyte-membrane-fuel-cell catalyst-layer-thickness variations Publication Type Journal Article Year of Publication 2012 Authors Aieta, Niccolo V., Prodip K. Das, Andrew Perdue, Guido Bender, Andrew M. Herring, Adam Z. Weber, and Michael J. Ulsh Journal Journal of Power Sources Volume 211 Pagination 4 - 11 Date Published 8/2012 ISSN 03787753 Keywords catalyst layer, corrosion, defects, fuel cell, infrared thermography, manufacturing, pemfc, quality control Abstract As fuel cells become more prominent, new manufacturing and production methods are needed to enable increased volumes with high quality. One necessary component of this industrial growth will be the accurate measurement of the variability of a wide range of material properties during the manufacturing process. In this study, a method to detect defects in fuel cell catalyst layers is investigated through experiment and mathematical simulation. The method uses infrared thermography and direct-current electronic-excitation methods to detect variations in platinum-containing catalyst-layer thickness with high spatial and temporal resolution. Data analysis, operating-condition impacts, and detection limits are explored, showing the measurement of defects on the millimeter length scale. Overall, the experimental and modeling results demonstrate great potential of this technique as a nondestructive method to measure defects that is amenable to use on roll-to-roll manufacturing lines.

302

Nanocrystal Photovoltaics: The Case of Cu2S-CdS  

E-Print Network (OSTI)

solution-processed optoelectronics with performance matchingsensors, and optoelectronics. On the fundamental side, thisapplications including optoelectronics (their size and shape

Rivest, Jessica Louis Baker

2011-01-01T23:59:59.000Z

303

Mutation of Surface Residues to Promote Crystallization of Activated Factor XI as a Complex with Benzamidine: an Essential Step for the Iterative Structure-Based Design of Factor XI Inhibitors  

SciTech Connect

Activated factor XI (FXIa) is a key enzyme in the amplification phase of the blood-coagulation cascade. Thus, a selective FXIa inhibitor may have lesser bleeding liabilities and provide a safe alternative for antithrombosis therapy to available drugs on the market. In a previous report, the crystal structures of the catalytic domain of FXIa (rhFXI370-607) in complex with various ecotin mutants have been described [Jin et al. (2005), Journal of Biological Chemistry 280, 4704-4712]. However, ecotin forms a matrix-like interaction with rhFXI370-607 and is impossible to displace with small-molecule inhibitors; ecotin crystals are therefore not suitable for iterative structure-based ligand design. In addition, rhFXI370-607 did not crystallize in the presence of small-molecule ligands. In order to obtain the crystal structure of rhFXI370-607 with a weak small-molecule ligand, namely benzamidine, several rounds of surface-residue mutation were implemented to promote crystal formation of rhFXI370-607. A quadruple mutant of rhFXI370-607 (rhFXI370-607-S434A, T475A, C482S, K437A) readily crystallized in the presence of benzamidine. The benzamidine in the preformed crystals was easily exchanged with other FXIa small-molecule inhibitors. These crystals have facilitated the structure-based design of small-molecule FXIa inhibitors.

Jin,L.; Pandey, P.; Babine, R.; Weaver, D.; Abdel-Meguid, S.; Stricker, J.

2005-01-01T23:59:59.000Z

304

Transformation of potential energy surfaces for estimating isotopic shifts in anharmonic vibrational frequency calculations  

SciTech Connect

A transformation of potential energy surfaces (PES) being represented by multi-mode expansions is introduced, which allows for the calculation of anharmonic vibrational spectra of any isotopologue from a single PES. This simplifies the analysis of infrared spectra due to significant CPU-time savings. An investigation of remaining deviations due to truncations and the so-called multi-level approximation is provided. The importance of vibrational-rotational couplings for small molecules is discussed in detail. In addition, an analysis is proposed, which provides information about the quality of the transformation prior to its execution. Benchmark calculations are provided for a set of small molecules.

Meier, Patrick; Oschetzki, Dominik; Rauhut, Guntram, E-mail: rauhut@theochem.uni-stuttgart.de [Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart (Germany)] [Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart (Germany); Berger, Robert [Clemens-Schöpf Institut für Organische Chemie and Biochemie, Technische Universität Darmstadt, Petersenstrasse 22, 64287 Darmstadt (Germany)] [Clemens-Schöpf Institut für Organische Chemie and Biochemie, Technische Universität Darmstadt, Petersenstrasse 22, 64287 Darmstadt (Germany)

2014-05-14T23:59:59.000Z

305

Fabrication of a seamless roll mold using inorganic electron beam resist with postexposure bake  

Science Journals Connector (OSTI)

The fabrication of next-generation devices via roll-to-roll (RTR) nanoimprinting has received considerable attention due to the high throughput and resolution associated with the process. In particular RTR nanoimprinting with ultraviolet (UV)-curable resin is expected to be useful for the fabrication of large-area devices such as nonreflective films transparent conductive sheets and organic solar cells. In order to improve the resolution of such devices the roll mold must be able to produce seamless fine patterns. Generally a roll mold for nanoimprinting is made by attaching a planar mold replicated from the master mold via a nickel electroforming technique. However this method produces seams which reduces the product yield. In order to resolve these issues the authors have developed a direct writing method using electron beam (EB) lithography on a rotating cylindrical substrate. In this study the authors examined the potential for fabricating a seamless roll mold using high-resolution inorganic EB resist and the pattern shrink effect from postexposure bake (PEB). The authors used the dip-and-pull method to form the EB resist layer on the roll mold substrate (32?mm diameter made of brass). The cleaned roll mold was dipped in the inorganic EB resist and then pulled out at a constant speed. The resulting sample was cured at 300?°C for 1?h. Next the sample was mounted on rotating equipment and placed in a scanning electron microscope(SEM) equipped with an EB writing system and the roll substrate was exposed to 10?kV EB while rotating at a constant speed. The revolution speed was set to ten turns per line pattern. Subsequently PEB was carried out at 200?°C for 10?min in air. After the sample was cooled to room temperature the EB-exposed area of the EB resist layer was developed using buffered HF. The obtained pattern on the roll mold was examined with the same SEM used for writing. Finally RTR nanoimprinting using the obtained roll mold was carried out using UV-photocurable resin. At that time the sample was coated with an antisticking layer of fluorinated silane coupling agent. As a result a seamless line pattern 190?nm wide was obtained on a polyethylene terephthalate film over a length of 10?cm.

Noriyuki Unno; Jun Taniguchi; Kiyoshi Ishikawa

2011-01-01T23:59:59.000Z

306

Empirical assessment of a prismatic daylight-redirecting window film in a full-scale office testbed  

SciTech Connect

Daylight redirecting systems with vertical windows have the potential to offset lighting energy use in deep perimeter zones. Microstructured prismatic window films can be manufactured using low-cost, roll-to-roll fabrication methods and adhered to the inside surface of existing windows as a retrofit measure or installed as a replacement insulating glass unit in the clerestory portion of the window wall. A clear film patterned with linear, 50-250 micrometer high, four-sided asymmetrical prisms was fabricated and installed in the south-facing, clerestory low-e, clear glazed windows of a full-scale testbed facility. Views through the film were distorted. The film was evaluated in a sunny climate over a two-year period to gauge daylighting and visual comfort performance. The daylighting aperture was small (window-towall ratio of 0.18) and the lower windows were blocked off to isolate the evaluation to the window film. Workplane illuminance measurements were made in the 4.6 m (15 ft) deep room furnished as a private office. Analysis of discomfort glare was conducted using high dynamic range imaging coupled with the evalglare software tool, which computes the daylight glare probability and other metrics used to evaluate visual discomfort. The window film was found to result in perceptible levels of discomfort glare on clear sunny days from the most conservative view point in the rear of the room looking toward the window. Daylight illuminance levels at the rear of the room were significantly increased above the reference window condition, which was defined as the same glazed clerestory window but with an interior Venetian blind (slat angle set to the cut-off angle), for the equinox to winter solstice period on clear sunny days. For partly cloudy and overcast sky conditions, daylight levels were improved slightly. To reduce glare, the daylighting film was coupled with a diffusing film in an insulating glazing unit. The diffusing film retained the directionality of the redirected light spreading it within a small range of outgoing angles. This solution was found to reduce glare to imperceptible levels while retaining for the most part the illuminance levels achieved solely by the daylighting film.

Thanachareonkit, Anothai; Lee, Eleanor S.; McNeil, Andrew

2013-08-31T23:59:59.000Z

307

Lead(ii) Detection An Exceptionally Selective Lead(ii)-Regulatory  

E-Print Network (OSTI)

-spore- forming bacillus that flourishes in millimolar concentrations of toxic heavy metals.[12] It is the only that responds to lead(ii) ions with a high selectivity over other heavy metal ions. This has not been achieved developed for the detection of other small molecules, but with limited success for heavy metal ions

He, Chuan

308

Adsorption of H2O, CO2 and Xe on Soft Surfaces Ori Stein and Micha Asscher*  

E-Print Network (OSTI)

Chemistry and the Farkas Center for Light-Induced Processes, The Hebrew UniVersity of Jerusalem, Israel studies from multilayer coverage grating of Xe on ODT-SAM have demonstrated that sublimation of the chemistry of these small molecules with biologically relevant surfaces such as membranes. In addition

Asscher, Micha

309

New Bactericidal Surgical Suture Coating Kushi N. Kumar,,  

E-Print Network (OSTI)

bacteria (98% reduction at 0.75 wt %). Triclosan, the active ingredient in Vicryl Plus coatings, did), in which the active ingredient is triclosan (2,4,4-trichloro-2-hydroxydipheny- lether), a neutral small molecule. The presence of triclosan in VPAS inhibits the colonization of a broad spectrum of bacteria

Tew, Gregory N.

310

Molecular Chemistry of Consequence to Renewable Energy  

Science Journals Connector (OSTI)

Molecular Chemistry of Consequence to Renewable Energy ... The construction of energy conversion cycles aimed at driving unfavorable, small-molecule activation reactions with solar photons confront daunting challenges because they rely on chemical transformations not understood at the most basic levels. ...

Jillian L. Dempsey; Arthur J. Esswein; David R. Manke; Joel Rosenthal; Jake D. Soper; Daniel G. Nocera

2005-09-26T23:59:59.000Z

311

Inhibition of Ebola Virus Infection: Identification of Niemann-Pick C1 as the Target by Optimization of a Chemical Probe  

Science Journals Connector (OSTI)

Inhibition of Ebola Virus Infection: Identification of Niemann-Pick C1 as the Target by Optimization of a Chemical Probe ... A high-throughput screen identified adamantane dipeptide 1 as an inhibitor of Ebola virus (EboV) infection. ... Ebola virus; small molecule inhibitor; viral entry; photoaffinity label; target identification; Niemann-Pick C1 ...

Kyungae Lee; Tao Ren; Marceline Côté; Berahman Gholamreza; John Misasi; Anna Bruchez; James Cunningham

2012-12-15T23:59:59.000Z

312

Chemical genetics: how does it function?  

Science Journals Connector (OSTI)

...The approach termed chemical genetics aims to emulate...genetics as a discovery platform using small molecules...mutations. Forward chemical genetics involves identifying...Demonstrate activity in cells Chemical optimization of small...High-throughput synthesis platforms based on resins, small...

2004-01-01T23:59:59.000Z

313

Chemogenomics and biotechnology Arthur Wuster and M. Madan Babu  

E-Print Network (OSTI)

Chemogenomics and biotechnology Arthur Wuster and M. Madan Babu Medical Research Council Laboratory molecules and specific proteins aids the development of new biotechnological tools and the identification in biotechnology. Introduction The effects of small molecules on cells were central to the research of Paul Ehrlich

Babu, M. Madan

314

Instability of Immunoglobulin G (IgG) Monoclonal Antibodies Induced by Redox-Active Metal Ions adn Photo-Irradiation  

E-Print Network (OSTI)

Since the approval of the first monoclonal antibody (mAb) drug in 1986, mAbs have developed into a major class of therapeutic agents due to their unique properties. Compared to traditional small molecule drug products, the actions of the antibodies...

Zhou, Shuxia

2012-08-31T23:59:59.000Z

315

Proton transfer dynamics of the reaction H3O ,,NH3 ,H2O...NH4  

E-Print Network (OSTI)

reactions.1,2 Water and ammonia are both small molecules that can form hydrogen bonds because they con- tain molecular beam technique Yue Li and James M. Farrara) Department of Chemistry, University of Rochester3 ­H­H2O is about 100 fs. Proton transfer occurs early on the reaction coordinate, when

Farrar, James M.

316

High-Throughput Chemical Screening for Antivirulence Developmental Phenotypes in Trypanosoma brucei  

Science Journals Connector (OSTI)

...S. A. 108 :10568-10573. doi: 10.1073/pnas.1105622108 . 13. ET Kamau , AR Srinivasan, MJ Brown, MG Fair, EJ Caraher, and JP Boyle. 2012. A focused small-molecule screen identifies 14 compounds with distinct effects on Toxoplasma gondii...

Paula MacGregor; Alasdair Ivens; Steven Shave; Iain Collie; David Gray; Manfred Auer; Keith R. Matthews

2014-01-17T23:59:59.000Z

317

Genomes and Characterization of Phages Bcep22 and BcepIL02, Founders of a Novel Phage Type in Burkholderia cenocepacia  

Science Journals Connector (OSTI)

...human pathogens has become more widespread, and the development pipelines for novel small-molecule antimicrobials have largely run dry...phage KS12 reduced B. cepacia complex-induced mortality in a wax worm model (70). A repressorless virulent mutant of phage...

Jason J. Gill; Elizabeth J. Summer; William K. Russell; Stephanie M. Cologna; Thomas M. Carlile; Alicia C. Fuller; Kate Kitsopoulos; Leslie M. Mebane; Brandi N. Parkinson; David Sullivan; Lisa A. Carmody; Carlos F. Gonzalez; John J. LiPuma; Ry Young

2011-07-29T23:59:59.000Z

318

InstitutsVerffentlichungen 2012 1 S. Steinberger, A. Mishra, E. Reinold, H. Mller, C. Uhrich, M. Pfeiffer, P. Buerle, J. Mater. Chem. 2012,  

E-Print Network (OSTI)

. 2012, 24, 675680: "Interrelation between Crystal Packing and Small Molecule Organic Solar Cell the effect of substrate heating during deposition of DCV4T:C60 blend layers for organic solar cells". (IF 4 Solar Energy Technology" (inside cover). (IF 13.464) 7 S. Haid, M. Marszalek, A. Mishra, M

Ulm, Universität

319

= REQUEST FOR PROPOSALS = Release date: December 13, 2013  

E-Print Network (OSTI)

-based design, synthesis, and testing of small molecule modulators of high-value targets · High, with proof-of-concept and the generation of robust intellectual property positions as key objectives. The Accelerator is designed to accommodate projects of varying magnitude, as appropriate. Its primary goal

320

Enzyme activity it's all about image Amos Baruch1  

E-Print Network (OSTI)

at the level of changes in bulk RNA messages, protein expression and enzyme activation are often difficult of the relevant substrate­enzyme interactions and the potential for identification of new small-molecule drug on the identification of downstream substrates [2­4]. However, the process of substrate identification can often

Bogyo, Matthew

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


321

Physics and Biology of Strongly Fluctuating Proteins Symposium  

E-Print Network (OSTI)

on dynamic protein disorder, one molecule at a time Insight into the molecular origins of the internal Break Intrinsic Disorder can Mediate Allostery in an Ensemble Specificity and Promiscuity in Small Molecule Binding to Intrinsically Disordered Protein Regions: the Birthday Paradox Lunch break / Poster

Maryland at College Park, University of

322

NOTES:  

Science Journals Connector (OSTI)

......20a-AIQ-l. An application of LaB8 cathode gun to low accelerating voltage...LaB8 and tungsten hair pin cathode. The dependence of the diameter...lanthanum nitrate (pH 8). The materials were dehydrated and embedded...fixation of the cell and the active ex- change of small molecules......

The Thirty-second Annual Meeting of the Japanese Society of Electron Microscopy

1976-01-01T23:59:59.000Z

323

pubs.acs.org/cm Published on Web 08/26/2009 r 2009 American Chemical Society 4090 Chem. Mater. 2009, 21, 40904092  

E-Print Network (OSTI)

. To complete devices with an active area of 0.16 cm2 , we deposited 60 nm of aluminum as the cathode. Sub, organic small molecules are promising materials for further research and develop- ment because they can.6%.6-15 Pentacene is a natural choice as an electron donor material in such devices because it has been extensively

Hone, James

324

8092 | Phys. Chem. Chem. Phys., 2014, 16, 8092--8099 This journal is the Owner Societies 2014 Cite this: Phys.Chem.Chem.Phys.,  

E-Print Network (OSTI)

mechanisms in P3HT for organic solar cells Na Sai,*ab Kevin Leung,c Judit Za´dord and Graeme Henkelmana We of the thiophene backbone as a critical step toward disrupting the polymer conjugation. We calculate energy Introduction Organic materials based on polymers and small molecules have clear advantages such as light weight

Henkelman, Graeme

325

M13 Bacteriophage Display Framework That Allows Sortase-Mediated Modification of Surface-Accessible Phage Proteins  

E-Print Network (OSTI)

We exploit bacterial sortases to attach a variety of moieties to the capsid proteins of M13 bacteriophage. We show that pIII, pIX, and pVIII can be functionalized with entities ranging from small molecules (e.g., fluorophores, ...

Hess, Gaelen T.

326

Library versus Library Recognition and Inhibition of the HIV-1 Nef Allelome Allison Olszewski and Gregory A. Weiss*,,  

E-Print Network (OSTI)

Library versus Library Recognition and Inhibition of the HIV-1 Nef Allelome Allison Olszewski resistance. Targeting HIV Nef with small molecules screened against a combinatorial library of Nef variants studies. We asked whether a library versus library approach could simultaneously uncover structure

Weiss, Gregory A.

327

Oncogenes induce a vimentin filament collapse mediated by HDAC6 that is linked to cell stiffness  

Science Journals Connector (OSTI)

...impact of HDAC6-selective inhibitors . Biochem Pharmacol 84 ( 6 ): 756 – 765...and water-soluble protease inhibitors (pH 7.5). This...Domain-selective small-molecule inhibitor of histone deacetylase...between mucin and mucin-chitosan layers in absence and presence...

Li-Sophie Z. Rathje; Niklas Nordgren; Torbjörn Pettersson; Daniel Rönnlund; Jerker Widengren; Pontus Aspenström; Annica K. B. Gad

2014-01-01T23:59:59.000Z

328

Systemic Administration of Polymeric Nanoparticle-Encapsulated Curcumin (NanoCurc) Blocks Tumor Growth and Metastases in Preclinical Models of Pancreatic Cancer  

Science Journals Connector (OSTI)

...free curcumin is a potent inhibitor of NF-kappaB activity in...bioavailable small-molecule inhibitor of Hedgehog signaling inhibits...Chemosensitization to cisplatin by inhibitors of the Fanconi anemia/BRCA...of curcumin in alginate-chitosan-pluronic composite nanoparticles...

Savita Bisht; Masamichi Mizuma; Georg Feldmann; Niki A. Ottenhof; Seung-Mo Hong; Dipankar Pramanik; Venugopal Chenna; Collins Karikari; Rajni Sharma; Michael G. Goggins; Michelle A. Rudek; Rajani Ravi; Amarnath Maitra; and Anirban Maitra

2010-08-01T23:59:59.000Z

329

Optogalvanic intracavity quantitative detector and method for its use  

DOE Patents (OSTI)

The disclosure relates to an optogalvanic intracavity detector and method for its use. Measurement is made of the amount of light absorbed by atoms, small molecules and ions in a laser cavity utilizing laser-produced changes in plasmas containing the same atoms, molecules, or ions. 6 figs.

Zalewski, E.F.; Keller, R.A.; Apel, C.T.

1983-09-06T23:59:59.000Z

330

2013NatureAmerica,Inc.Allrightsreserved. brief communications  

E-Print Network (OSTI)

-F bond is strong, and F is not a very good leaving group in SN2 reactions, but the carbonyl group of their side chains should then facilitate the reaction. Reactivity between small molecules is enhanced when concentrations and analyzed the reaction using HPLC­mass spectrometry (HPLC-MS). In reactions containing 1 m

Cai, Long

331

Bimetallic Reductive Elimination from Dinuclear Pd(III) David C. Powers,  

E-Print Network (OSTI)

addition of a small molecule.5 Oxidative addition can proceed via concerted,6 SN2-like,7 and radical8-mail: ritter@chemistry.harvard.edu Abstract: In 2009, we reported C-halogen reductive elimination reactions reductive elimination reactions observed. Introduction Metal-metal redox cooperation during catalysis can

Goddard III, William A.

332

Single-molecule detection of biomolecules using engineered nanopores Advisor: Prof. Liviu Movileanu, Department of Physics, Syracuse University,  

E-Print Network (OSTI)

Single-molecule detection of biomolecules using engineered nanopores Advisor: Prof. Liviu Movileanu-443-5925 A nanopore may act as an amazingly versatile single-molecule probe that can be employed to reveal several, because single small molecules and biopolymers are examined at very high spatial and temporal resolutions

Mather, Patrick T.

333

Magnetic birefringence in mixtures of a nematic aromatic polyester and PAA  

E-Print Network (OSTI)

L-329 Magnetic birefringence in mixtures of a nematic aromatic polyester and PAA J. M. Gilli, G'un cristal liquide de petites molécules (PAA) et d'un polymère nématique. La constante de Cotton-Mouton (CM birefringence was measured in a mixture of a small molecule liquid crystal (PAA) and a nematic polymer

Boyer, Edmond

334

UPDATE:  

Science Journals Connector (OSTI)

......small molecule research in areas such as Pharmaceuticals and agrochemicals. Costs start at 22 000 for a single-user system, with...assess how small changes, e.g. in temperature, solvent composition and flow rate, affect the quantitation. Finally, the PU6106......

News; Views

1990-07-01T23:59:59.000Z

335

Gordon Research Conferences  

Science Journals Connector (OSTI)

...copolymers of ethylene and propylene"; T. Hashimoto...theoretical studies of resonance...spectra of small molecules...Scriven, "Pore space morphology...reactions by zeolites"; J. W...understapding of methanol synthetics...Prothrombin and its conversion (M. Nesheim...19 July. Small device effects...results of small size MOSFET's...Kamgar, "Study of micron...

Alexander M. Cruickshank

1982-03-05T23:59:59.000Z

336

Heat Shock Response Modulators as Therapeutic  

E-Print Network (OSTI)

Heat Shock Response Modulators as Therapeutic Tools for Diseases of Protein Conformation* Published. This review addresses the regulation of molecular chaperones and components of protein homeostasis by heat understanding of pharmacologically active small molecule regu- lators of the heat shock response

Morimoto, Richard

337

Research Highlights Biocatalysis and Biosynthesis (BB)  

E-Print Network (OSTI)

& S. cerevisiae Downstream Processing · Recovery and purification of proteins & small molecules GMP: Fermentation/Cell Growth · Cultivation of bacteria, yeast & algae · Process development & optimization · Pilot-scale-flow centrifuges ·microfluidizer, high-pressure homogenizer, & French press ·bench- to pilot-scale ultra

Minnesota, University of

338

Kanan, Liu et al. Supplementary Information page 1 "Reaction Discovery Enabled by DNA-Templated Synthesis and  

E-Print Network (OSTI)

. For purification and characterization of small-molecule products arising from non-DNA- templated reactions.075% of expected masses. All H2O used in the manipulations below was obtained from a Milli-Q purification system with a Varian Pursuit C18 1.0 gram-scale preparative reverse-phase column. Proton magnetic resonance (1 H

Liu, David R.

339

Chromatography 50 Chem 355 Jasperse Chromatography  

E-Print Network (OSTI)

technique for the separation and purification of both solids and liquids on relatively small scale (ideally quantities of material (as little as 10-9 g). This is one of the four major purification techniques surface binds polar organics · Biochemistry o Size exclusion: surface pores can fit small molecules

Jasperse, Craig P.

340

Research Highlights Biocatalysis and Biotechnology (BB)  

E-Print Network (OSTI)

. cerevisiae Downstream Processing · Recovery and purification of proteins & small molecules GMP Capabilities biofuels?) >60 g/L titer Patents filed Ready for Scale up Kechun Zhang #12;U of Minnesota Biotechnology · Cultivation of bacteria, yeast & algae · Process development & optimization · Pilot-scale production

Minnesota, University of

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


341

Subscriber access provided by HARVARD UNIV Journal of Proteome Research is published by the American Chemical Society.  

E-Print Network (OSTI)

affinity purification approaches have shown to be well-suited for large-scale screens and have been applied to significantly increase its utility as a toolbox to screen for novel interactors of proteins or small molecules or nuclear pore complexes. Recent large-scale interaction mapping efforts are beginning to provide insight

342

Carbon nanotubes for organic electronics.  

E-Print Network (OSTI)

??This thesis investigated the use of carbon nanotubes as active components in solution processible organic semiconductor devices. We investigated the use of functionalized carbon nanotubes… (more)

Goh, Roland Ghim Siong

2008-01-01T23:59:59.000Z

343

Microsoft Word - Yang_seminar_012011.docx  

NLE Websites -- All DOE Office Websites (Extended Search)

4:00 pm Iran Thomas Auditorium, 8600 High performance organic and inorganic thin film solar cell via solution process Yang Yang Department of Materials Science and Engineering...

344

Polarized X-Rays Reveal Molecular Alignment in Printed Electronics  

NLE Websites -- All DOE Office Websites (Extended Search)

made possible by the development of solution-processable organic materials with optoelectronic properties. Organic light-emitting diodes (OLEDs) are already being produced...

345

SEMINAR Ted Sargent PhD  

NLE Websites -- All DOE Office Websites (Extended Search)

He is Fellow of the AAAS "...for distinguished contributions to the development of solar cells and light sensors based on solution-processed semiconductors" and is Fellow of...

346

Cool Magnetic Molecules  

NLE Websites -- All DOE Office Websites (Extended Search)

Cool Magnetic Molecules Print Cool Magnetic Molecules Print Certain materials are known to heat up or cool down when they are exposed to a changing magnetic field. This is known as the magnetocaloric effect. All magnetic materials exhibit this effect, but in most cases, it is too small to be technologically useful. Recently, however, the search for special molecules with a surprisingly large capacity to keep cool has heated up, driven by environmental and cost considerations as well as by recent improvements in our ability to design, assemble, and probe the structure and chemistry of small molecules. An international collaboration of researchers from Spain, Scotland, and the U.S. has utilized ALS Beamline 11.3.1 (small-molecule crystallography) to characterize the design of such "molecular coolers." The work targets the synthesis of molecular cluster compounds containing many unpaired electrons ("nanomagnets") for applications involving enhanced magnetic refrigeration at very low temperatures.

347

Cool Magnetic Molecules  

NLE Websites -- All DOE Office Websites (Extended Search)

Cool Magnetic Molecules Print Cool Magnetic Molecules Print Certain materials are known to heat up or cool down when they are exposed to a changing magnetic field. This is known as the magnetocaloric effect. All magnetic materials exhibit this effect, but in most cases, it is too small to be technologically useful. Recently, however, the search for special molecules with a surprisingly large capacity to keep cool has heated up, driven by environmental and cost considerations as well as by recent improvements in our ability to design, assemble, and probe the structure and chemistry of small molecules. An international collaboration of researchers from Spain, Scotland, and the U.S. has utilized ALS Beamline 11.3.1 (small-molecule crystallography) to characterize the design of such "molecular coolers." The work targets the synthesis of molecular cluster compounds containing many unpaired electrons ("nanomagnets") for applications involving enhanced magnetic refrigeration at very low temperatures.

348

Cool Magnetic Molecules  

NLE Websites -- All DOE Office Websites (Extended Search)

Cool Magnetic Molecules Cool Magnetic Molecules Cool Magnetic Molecules Print Wednesday, 25 May 2011 00:00 Certain materials are known to heat up or cool down when they are exposed to a changing magnetic field. This is known as the magnetocaloric effect. All magnetic materials exhibit this effect, but in most cases, it is too small to be technologically useful. Recently, however, the search for special molecules with a surprisingly large capacity to keep cool has heated up, driven by environmental and cost considerations as well as by recent improvements in our ability to design, assemble, and probe the structure and chemistry of small molecules. An international collaboration of researchers from Spain, Scotland, and the U.S. has utilized ALS Beamline 11.3.1 (small-molecule crystallography) to characterize the design of such "molecular coolers." The work targets the synthesis of molecular cluster compounds containing many unpaired electrons ("nanomagnets") for applications involving enhanced magnetic refrigeration at very low temperatures.

349

Cool Magnetic Molecules  

NLE Websites -- All DOE Office Websites (Extended Search)

Cool Magnetic Molecules Print Cool Magnetic Molecules Print Certain materials are known to heat up or cool down when they are exposed to a changing magnetic field. This is known as the magnetocaloric effect. All magnetic materials exhibit this effect, but in most cases, it is too small to be technologically useful. Recently, however, the search for special molecules with a surprisingly large capacity to keep cool has heated up, driven by environmental and cost considerations as well as by recent improvements in our ability to design, assemble, and probe the structure and chemistry of small molecules. An international collaboration of researchers from Spain, Scotland, and the U.S. has utilized ALS Beamline 11.3.1 (small-molecule crystallography) to characterize the design of such "molecular coolers." The work targets the synthesis of molecular cluster compounds containing many unpaired electrons ("nanomagnets") for applications involving enhanced magnetic refrigeration at very low temperatures.

350

Cool Magnetic Molecules  

NLE Websites -- All DOE Office Websites (Extended Search)

Cool Magnetic Molecules Print Cool Magnetic Molecules Print Certain materials are known to heat up or cool down when they are exposed to a changing magnetic field. This is known as the magnetocaloric effect. All magnetic materials exhibit this effect, but in most cases, it is too small to be technologically useful. Recently, however, the search for special molecules with a surprisingly large capacity to keep cool has heated up, driven by environmental and cost considerations as well as by recent improvements in our ability to design, assemble, and probe the structure and chemistry of small molecules. An international collaboration of researchers from Spain, Scotland, and the U.S. has utilized ALS Beamline 11.3.1 (small-molecule crystallography) to characterize the design of such "molecular coolers." The work targets the synthesis of molecular cluster compounds containing many unpaired electrons ("nanomagnets") for applications involving enhanced magnetic refrigeration at very low temperatures.

351

Chemical screening platforms for autophagy drug discovery to identify therapeutic candidates for Huntington's disease and other neurodegenerative disorders  

Science Journals Connector (OSTI)

Autophagy is a cellular degradation process involved in the clearance of aggregate-prone proteins associated with neurodegenerative diseases. While the mTOR pathway has been known to be the major regulator of autophagy, recent advancements into the regulation of autophagy have identified mTOR-independent autophagy pathways that are amenable to chemical perturbations. Several chemical and genetic screens have been undertaken to identify small molecule and genetic regulators of autophagy, respectively. The small molecule autophagy enhancers offer great potential as therapeutic candidates not only for neurodegenerative diseases, but also for diverse human diseases where autophagy acts as a protective pathway. This review highlights the various chemical screening platforms for autophagy drug discovery pertinent for the treatment of neurodegenerative diseases.

Sovan Sarkar

2013-01-01T23:59:59.000Z

352

Method of fabricating an optoelectronic device having a bulk heterojunction  

DOE Patents (OSTI)

A method of fabricating an optoelectronic device comprises: depositing a first layer having protrusions over a first electrode, in which the first layer comprises a first organic small molecule material; depositing a second layer on the first layer such that the second layer is in physical contact with the first layer; in which the smallest lateral dimension of the protrusions are between 1 to 5 times the exciton diffusion length of the first organic small molecule material; and depositing a second electrode over the second layer to form the optoelectronic device. A method of fabricating an organic optoelectronic device having a bulk heterojunction is also provided and comprises: depositing a first layer with protrusions over an electrode by organic vapor phase deposition; depositing a second layer on the first layer where the interface of the first and second layers forms a bulk heterojunction; and depositing another electrode over the second layer.

Shtein, Max (Ann Arbor, MI); Yang, Fan (Princeton, NJ); Forrest, Stephen R. (Princeton, NJ)

2008-10-14T23:59:59.000Z

353

Cool Magnetic Molecules  

NLE Websites -- All DOE Office Websites (Extended Search)

Cool Magnetic Molecules Print Cool Magnetic Molecules Print Certain materials are known to heat up or cool down when they are exposed to a changing magnetic field. This is known as the magnetocaloric effect. All magnetic materials exhibit this effect, but in most cases, it is too small to be technologically useful. Recently, however, the search for special molecules with a surprisingly large capacity to keep cool has heated up, driven by environmental and cost considerations as well as by recent improvements in our ability to design, assemble, and probe the structure and chemistry of small molecules. An international collaboration of researchers from Spain, Scotland, and the U.S. has utilized ALS Beamline 11.3.1 (small-molecule crystallography) to characterize the design of such "molecular coolers." The work targets the synthesis of molecular cluster compounds containing many unpaired electrons ("nanomagnets") for applications involving enhanced magnetic refrigeration at very low temperatures.

354

2007 Inorganic Reaction Mechanisms Gordon Research Conference-February 18-23  

SciTech Connect

This conference focuses on kinetic, mechanistic, and thermodynamic studies of reactions that play a role in fields as diverse as catalysis, energy, bioinorganic chemistry, green chemistry, organometallics, and activation of small molecules (oxygen, nitrogen, carbon monoxide, carbon dioxide, alkanes). Participants from universities, industry, and national laboratories present results and engage in discussions of pathways, intermediates, and outcome of various reactions of inorganic, organic, coordination, organometallic, and biological species. This knowledge is essential for rational development and design of novel reactions, compounds, and catalysts.

Andreja Bakac

2008-01-01T23:59:59.000Z

355

Molecular Dynamics of a Polymer in Mixed Solvent:? Atactic Polystyrene in a Mixture of Cyclohexane and N,N-Dimethylformamide  

Science Journals Connector (OSTI)

The diffusion constants of the small molecules and corresponding activation energies have also been measured. ... An energy minimization process using steepest descent can be used to generate a different atactic conformation from any chain if the force field is switched; in a vacuum the phenyl rings can easily switch with the hydrogens. ... 6 There are two peaks at 330 K, one corresponds to a perpendicular constellation and the other arrangement to an almost parallel one. ...

Qi Sun; Roland Faller

2005-07-29T23:59:59.000Z

356

Nanoarchitectonics of Molecular Aggregates: Science and Technology  

SciTech Connect

The field of making, studying and using molecular aggregates, in which the individual molecules (monomers) are arranged in a regular fashion, has come a long way. Taking control over the aggregation of small molecules and polymers in bulk, on surfaces and at interfaces pose a considerable challenge for their utilization in modern high tech applications. In this review we provide a detailed insight into recent trends in molecular aggregates from the perspectives of nanoarchitectonics.

Ramanathan, Nathan Muruganathan [ORNL] [ORNL; Hong, Kunlun [ORNL] [ORNL; Ji, Dr. Qingmin [National Institute for Materials Science, Tsukuba, Japan] [National Institute for Materials Science, Tsukuba, Japan; Hill, Dr. Jonathan P [National Institute for Materials Science, Tsukuba, Japan] [National Institute for Materials Science, Tsukuba, Japan; Ariga, Katsuhiko [National Institute for Materials Science, Tsukuba, Japan] [National Institute for Materials Science, Tsukuba, Japan; Yusuke, Yonamine [National Institute for Materials Science, Tsukuba, Japan] [National Institute for Materials Science, Tsukuba, Japan

2014-01-01T23:59:59.000Z

357

Pyrolysis Gas Chromatography Mass Spectrometry Studies to Evaluate High-Temperature Aqueous Pretreatment as a Way to Modify the Composition of Bio-Oil from Fast Pyrolysis of Wheat Straw  

Science Journals Connector (OSTI)

Pyrolysis Gas Chromatography Mass Spectrometry Studies to Evaluate High-Temperature Aqueous Pretreatment as a Way to Modify the Composition of Bio-Oil from Fast Pyrolysis of Wheat Straw ... ?-Cellulose was obtained from Sigma-Aldrich (St. Louis, Missouri). ... This evidence suggests that CHW pretreatment may produce bio-oil that is composed of a greater amount of sugars and furanics and fewer small molecules and may therefore be a viable option to modify the chemical composition of bio-oils. ...

Robert Lee Johnson; Shi-Shen Liaw; Manuel Garcia-Perez; Su Ha; Sean S.-Y. Lin; Armando G. McDonald; Shulin Chen

2009-10-07T23:59:59.000Z

358

Matrix Infrared Spectroscopic and Computational Investigations of Novel Small Uranium Containing Molecules - Final Technical Report  

SciTech Connect

Direct reactions of f-element uranium, thorium and lanthanide metal atoms were investigated with small molecules. These metal atoms were generated by laser ablation and mixed with the reagent molecules then condensed with noble gases at 4K. The products were analyzed by absorption of infrared light to measure vibrational frequencies which were confirmed by quantum chemical calculations. We have learned more about the reactivity of uranium atoms with common molecules, which will aid in the develolpment of further applications of uranium.

Andrews, Lester

2014-10-17T23:59:59.000Z

359

Three Hydrogen Bond Donor Catalysts: Oxyanion Hole Mimics and Transition State Analogues  

SciTech Connect

Enzymes and their mimics use hydrogen bonds to catalyze chemical transformations. Small molecule transition state analogs of oxyanion holes are characterized by gas phase IR and photoelectron spectroscopy and their binding constants in acetonitrile. As a result, a new class of hydrogen bond catalysts is proposed (OH donors that can contribute three hydrogen bonds to a single functional group) and demonstrated in a Friedel-Crafts reaction.

Beletskiy, Evgeny V.; Schmidt, Jacob C.; Wang, Xue B.; Kass, Steven R.

2012-11-14T23:59:59.000Z

360

Increasing the efficiency of organic solar cells by photonic and electrostatic-field enhancements  

SciTech Connect

Organic photovoltaic (OPV) technology is an attractive solar-electric conversion paradigm due to the promise of low cost roll-to-roll production and amenability to flexible substrates. Power conversion efficiency (PCE) exceeding 7% has recently been achieved. OPV cells suffer from low charge carrier mobilities of polymers, leading to recombination losses, higher series resistances and lower fill-factors. Thus, it is imperative to develop fabrication methodologies that can enable efficient optical absorption in films thinner than optical absorption length. Active layers conformally deposited on light-trapping, microscale textured, grating-type surfaces is one possible approach to achieve this objective. In this study, 40% theoretical increase in photonic absorption over flat OPVs is shown for devices with textured geometry by the simulation results. For verifying this theoretical result and improving the efficiency of OPVs by light trapping, OPVs were fabricated on grating-type textured substrates possessing t pitch and -coat PV active-layer on these textured substrates led to over filling of the valleys and shunts at the crest, which severely affected the performance of the resultant PV devices. Thus, it is established that although the optical design is important for OPV performance but the potential of light trapping can only be effectively tapped if the textures are amenable for realizing a conformal active layer. It is discovered that if the height of the underlying topographical features is reduced to sub-micron regime (e.g. 300 nm) and the pitch is increased to more than a micron (e.g. 2 ?m), the textured surface becomes amenable to coating a conformal PV active-layer. The resultant PV cells showed 100% increase in average light absorption near the band edge due to trapping of higher wavelength photons, and 20% improvement in power conversion efficiency as compared with the flat PV cell. Another factor that severely limits the performance of OPVs is recombination of charge carriers. Thus it becomes imperative to understand the effect of processing conditions such as spin coating speed and drying rate on defect density and hence induced carrier recombination mechanism. In this study, It is shown that slow growth (longer drying time) of the active-layer leads to reduction of sub-bandgap traps by an order of magnitude as compared to fast grown active-layer. By coupling the experimental results with simulations, it is demonstrated that at one sun condition, slow grown device has bimolecular recombination as the major loss mechanism while in the fast grown device with high trap density, the trap assisted recombination dominates. It has been estimated that non-radiative recombination accounts nearly 50% of efficiency loss in modern OPVs. Generally, an external bias (electric field) is required to collect all the photogenerated charges and thus prevent their recombination. The motivation is to induce additional electric field in otherwise low mobility conjugated polymer based active layer by incorporating ferroelectric dipoles. This is expected to facilitate singlet exciton dissociation in polymer matrix and impede charge transfer exciton (CTE) recombination at polymer:fullerene interface. For the first time, it is shown that the addition of ferroelectric dipoles to modern bulk heterojunction (BHJ) can significantly improve exciton dissociation, resulting in a ~50% enhancement of overall solar cell efficiency. The devices also exhibit the unique ferroelectric-photovoltaic effect with polarization-controlled power conversion efficiency.

Nalwa, Kanwar

2012-11-03T23:59:59.000Z

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


361

Nanocrystal Photovoltaics: The Case of Cu2S-CdS  

E-Print Network (OSTI)

in a low-cost solution-processed photovoltaic device. Thecost and conversion efficiency in favorable directions. The photovoltaiccost. This work provides a proof-of-concept for a next-generation photovoltaic

Rivest, Jessica Louis Baker

2011-01-01T23:59:59.000Z

362

IOP PUBLISHING NANOTECHNOLOGY Nanotechnology 19 (2008) 424015 (7pp) doi:10.1088/0957-4484/19/42/424015  

E-Print Network (OSTI)

IOP PUBLISHING NANOTECHNOLOGY Nanotechnology 19 (2008) 424015 (7pp) doi:10;Nanotechnology 19 (2008) 424015 C R McNeill et al 1. Introduction Organic solar cells based on solution processed

363

Semitransparent organic solar cells  

Science Journals Connector (OSTI)

The organic solar cell technology has attracted great interests due to ... low cost solution process capability. Bulk heterojunction organic solar cells offer a potentially much cheaper alternative way to harness...

Furong Zhu

2014-03-01T23:59:59.000Z

364

A simplex cut-cell adaptive method for high-order discretizations of the compressible Navier-Stokes equations  

E-Print Network (OSTI)

While an indispensable tool in analysis and design applications, Computational Fluid Dynamics (CFD) is still plagued by insufficient automation and robustness in the geometry-to-solution process. This thesis presents two ...

Fidkowski, Krzysztof J., 1981-

2007-01-01T23:59:59.000Z

365

High Efficiency CdTe Ink-Based Solar Cells Using Nanocrystals (Fact Sheet)  

SciTech Connect

This NREL Highlight is being developed for the 2015 February Alliance S&T Board meeting and describes a solution-processable ink to produce high-efficiency solar cells using low temperature and simple processing.

Not Available

2015-01-01T23:59:59.000Z

366

Bright Light-Emitting Diodes based on Organometal Halide Perovskite  

E-Print Network (OSTI)

this class of materials to be excellent semiconductors for optoelectronic devices.1-7 Their primary advantages lie in the fact that they can be easily solution processed, require no high temperature heating, and they possess an optical bandgap which...

Tan, Zhi-Kuang; Moghaddam, Reza Saberi; Lai, May Ling; Docampo, Pablo; Higler, Ruben; Deschler, Felix; Price, Michael; Sadhanala, Aditya; Pazos, Luis M.; Credgington, Dan; Hanusch, Fabian; Bein, Thomas; Snaith, Henry J.; Friend, Richard H.

2014-08-03T23:59:59.000Z

367

Modeling the structure of collective intelligence  

E-Print Network (OSTI)

The human problem solution process has attracted an increasing amount of interest among educators, managers, computer scientists and others. However, the discussion of the subject has suffered from the lack of stochastic ...

Dong, Wen, Ph.D. Massachusetts Institute of Technology

2010-01-01T23:59:59.000Z

368

Activation of Hydrogen with Bi-Functional Ambiphillic Catalyst Complexes - DOE Hydrogen and Fuel Cells Program FY 2012 Annual Progress Report  

NLE Websites -- All DOE Office Websites (Extended Search)

3 3 FY 2012 Annual Progress Report DOE Hydrogen and Fuel Cells Program Tom Autrey (Primary Contact), Greg Schenter, Don Camaioni, Abhi Karkamkar, Herman Cho, Bojana Ginovska-Pangovska Pacific Northwest National Laboratory P.O. Box 999 MS#K2-57 Richland, WA 99352 Phone: (509) 375-3792 Email: tom.autrey@pnnl.gov DOE Program Officer: Raul Miranda Objectives The objective of our research is to develop fundamental insight into small molecule activation in molecular complexes that will provide the basis for developing rational approaches

369

1  

NLE Websites -- All DOE Office Websites (Extended Search)

MSCF Overview MSCF Overview Section 2-6-1 Molecular Science Computing Facility The Molecular Science Computing Facility (MSCF) supports a wide range of computational activities in environmental molecular research, from benchmark calculations on small molecules to reliable calculations on large molecules, from solids to simulations of large biomolecules, and from reactive chemical transport modeling to regional cloud climate modeling. MSCF provides an integrated production computing environment with links to external facilities and laboratories within the U.S. Department of Energy (DOE) system, collaborating universities, and industry. Capabilities MSCF provides computational resources for Computational Grand Challenges in environmental molecular science and basic and applied research

370

Novel theoretical and experimental approaches for understanding and optimizing hydrogen-sorbent interactions in metal organic framework materials - DOE Hydrogen and Fuel Cells Program FY 2012 Annual Progress Report  

NLE Websites -- All DOE Office Websites (Extended Search)

3 3 FY 2012 Annual Progress Report DOE Hydrogen and Fuel Cells Program Yves. J. Chabal (Primary Contact), Jing Li, Timo Thonhauser UT Dallas - Department of Materials Science and Engineering 800 W. Campbell Road, RL 10 Richardson, TX 75080 Phone: (972) 883-5751 Email: chabal@utdallas.edu DOE Program Officer: Dr. Bonnie Gersten Phone: (301) 903-0002 Email: Bonnie.Gersten@science.doe.gov Subcontractors: * Jing Li (Rutgers University) * Timo Thonhauser (Wake Forest University) Objectives Develop a * comprehensive understanding of how small molecules (e.g. H 2 ) bind inside metal organic framework

371

Microsoft Word - 2006_MSCF_Overview.doc  

NLE Websites -- All DOE Office Websites (Extended Search)

MSCF Overview MSCF Overview Section 2-6-1 Molecular Science Computing Facility The Molecular Science Computing Facility (MSCF) supports a wide range of computational activities in environmental molecular research, from benchmark calculations on small molecules to reliable calculations on large molecules, from solids to simulations of large biomolecules, and from reactive chemical transport modeling to regional cloud climate modeling. MSCF provides an integrated production computing environment with links to external facilities and laboratories within the U.S. Department of Energy (DOE) system, collaborating universities, and industry. Capabilities MSCF provides computational resources for Computational Grand Challenges in environmental molecular science and basic and applied research

372

Organic Light Emitting Diodes: materials, device structures and light extraction  

Science Journals Connector (OSTI)

Organic Light Emitting Devices (OLEDs) are presented with particular emphasis on materials, device structures and strategies to improve light extraction. For the fabrication of efficient OLEDs, two types of electroluminescent materials are used (small molecules and polymers) with efficiencies and lifetimes which are now acceptable for small size or low content information displays. Two main approaches are described to enhance external efficiency, one is based on direct modification of the species emission and the other on modification of emitted guided modes propagation within the device. The features of the different approaches are evidenced through examples of devices reported in the literature.

B. Geffroy; L. Rocha

2009-01-01T23:59:59.000Z

373

Kinetic data base for combustion modeling  

SciTech Connect

The aim of this work is to develop a set of evaluated rate constants for use in the simulation of hydrocarbon combustion. The approach has been to begin with the small molecules and then introduce larger species with the various structural elements that can be found in all hydrocarbon fuels and decomposition products. Currently, the data base contains most of the species present in combustion systems with up to four carbon atoms. Thus, practically all the structural grouping found in aliphatic compounds have now been captured. The direction of future work is the addition of aromatic compounds to the data base.

Tsang, W.; Herron, J.T. [National Institute of Standards and Technology, Gaithersburg, MD (United States)

1993-12-01T23:59:59.000Z

374

Spectroscopic and dynamical studies of highly energized small polyatomic molecules  

SciTech Connect

The authors have initiated a program to perform spectroscopic and dynamic studies of small molecules. Large amplitude motions in excited acetylene were discussed along with plans to record the dispersed fluorescence (DF) and the stimulated emission pumping (SEP) spectra. SEP spectra were reported for the formyl radical. A Fourier transform spectrometer was discussed with respect to its ability to probe the structure of radicals. This instrument is capable of performing studies using various techniques such as magnetic rotation spectroscopy and sub-Doppler sideband-OODR Zeman (SOODRZ) spectroscopy.

Field, R.W.; Silbey, R.J. [Massachusetts Institute of Technology, Cambridge (United States)

1993-12-01T23:59:59.000Z

375

Bioinformatics strategies for lipidomics analysis: characterization of obesity related hepatic steatosis  

E-Print Network (OSTI)

. The data was collected over the mass range of m/z 300–1200 with a scan dura- tion of 0.2 sec. The source temperature was set at 120°C and nitrogen was used as desolvation gas (800 L/h) at 250°C. The voltages of the sampling cone and capillary were 39 V... ]. They are broadly defined as hydrophobic or amphipathic small molecules that may originate entirely or in part by carban- ion based condensation of thioesters, and/or by carboca- tion based condensation of isoprene units [2]. Lipids also contribute to common...

Yetukuri, Laxman; Katajamaa, Mikko; Medina-Gomez, Gema; Seppanen-Laakso, Tuulikki; Vidal-Puig, Antonio; Oresic, Matej

2007-02-15T23:59:59.000Z

376

The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age  

E-Print Network (OSTI)

and electrostatic data for a set of gas- phase atoms and small molecules; the Benchmark Energy and Geometry DataBase (BEGDB) www.begdb. com [20], which includes geometry and energy CCSD (T)/CBS calculations as well as other high-level calcula- tions, with a special... in several standard variants of density-functional theory, or the thermochemistry database at the Computational Model- ing Group of Cambridge’s Department of Chemical Engineering http://como.cheng.cam.ac.uk/index.php? Page=cmcc, collecting thermochemical data...

Adams, Sam; de Castro, Pablo; Echenique, Pablo; Estrada, Jorge; Hanwell, Marcus D; Murray-Rust, Peter; Sherwood, Paul; Thomas, Jens; Townsend, Joe A

2011-10-14T23:59:59.000Z

377

Multiscale Modeling with Carbon Nanotubes  

SciTech Connect

Technologically important nanomaterials come in all shapes and sizes. They can range from small molecules to complex composites and mixtures. Depending upon the spatial dimensions of the system and properties under investigation computer modeling of such materials can range from equilibrium and nonequilibrium Quantum Mechanics, to force-field-based Molecular Mechanics and kinetic Monte Carlo, to Mesoscale simulation of evolving morphology, to Finite-Element computation of physical properties. This brief review illustrates some of the above modeling techniques through a number of recent applications with carbon nanotubes: nano electromechanical sensors (NEMS), chemical sensors, metal-nanotube contacts, and polymer-nanotube composites.

Maiti, A

2006-02-21T23:59:59.000Z

378

Romancing the Spliceosome to Fight Spinal Muscular Atrophy  

Science Journals Connector (OSTI)

Every scientist, clinician, and patient seeks that holy grail that will cure disease. Nowhere is this need more acute than in the field of neurodegeneration. In neurogenetic diseases, in the large majority of cases, aberrant code is embedded in the DNA in every cell, and the blood–brain barrier... Spinal muscular atrophy is caused by homozygous mutation of SMN1. There are several potential approaches to tweaking SMN2 messenger RNA, to raise SMN protein levels to therapeutic levels. One such approach involves small molecules.

Swoboda K.J.

2014-10-30T23:59:59.000Z

379

Photoacoustic gas sensing with a commercial external cavity-quantum cascade laser at 10.5 ?m  

Science Journals Connector (OSTI)

Abstract We report the implementation of a commercial external cavity-quantum cascade laser emitting at 10.5 ?m in a photoacoustic spectrometer. This spectrometer enables measurements on broad spectral range up to 60 cm?1 which means that spectra of complex molecules can be recorded as well as a whole absorption band of a small molecule. The wide tuning range of the source of this photoacoustic spectrometer demonstrates the possibility to detect small and complex molecules such as carbon dioxide and butane.

D. Mammez; C. Stoeffler; J. Cousin; R. Vallon; M.H. Mammez; L. Joly; B. Parvitte; V. Zéninari

2013-01-01T23:59:59.000Z

380

VUV studies of molecular photofragmentation dynamics  

SciTech Connect

State-resolved, photoion and photoelectron methods are used to study the neutral fragmentation and ionization dynamics of small molecules relevant to atmospheric and combustion chemistry. Photodissociation and ionization are initiated by coherent VUV radiation and the fragmentation dynamics are extracted from measurements of product rovibronic state distributions, kinetic energies and angular distributions. The general aim of these studies is to investigate the multichannel interactions between the electronic and nuclear motions which determine the evolution of the photoexcited {open_quotes}complex{close_quotes} into the observed asymptotic channels.

White, M.G. [Brookhaven National Laboratory, Upton, NY (United States)

1993-12-01T23:59:59.000Z

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


381

High-resolution VUV spectroscopy: New results from the Advanced Light Source  

SciTech Connect

Third-generation synchrotron light sources are providing photon beams of unprecedented brightness for researchers in atomic and molecular physics. Beamline 9.0.1, an undulator beamline at the Advanced Light Source (ALS), produces a beam in the vacuum-ultraviolet (VUV) region of the spectrum with exceptional flux and spectral resolution. Exciting new results from experiments in atomic and molecular VUV spectroscopy of doubly excited autoionizing states of helium, hollow lithium, and photoelectron spectroscopy of small molecules using Beamline 9.0.1 at the ALS are reported.

Schlachter, F.; Bozek, J.

1996-06-01T23:59:59.000Z

382

Correlation between Ligand?Receptor Affinity and the Transcription Readout in a Yeast Three-Hybrid System  

Science Journals Connector (OSTI)

A series of mutations to FK506-binding protein 12 (FKBP12) were designed to vary the affinity of this protein for the small molecule synthetic ligand for FK506-binding protein 12 (SLF). ... These FKBP12 variants were overexpressed and purified, and their KD's for SLF were measured using a fluorescence polarization assay. ... A heterodimeric ligand (Mtx?SLF) bridges a DNA-binding protein?receptor protein chimera (LexA?DHFR) and a transcription activation protein?receptor protein chimera (B42?FKBP12), effectively reconstituting a transcriptional activator and stimulating transcription of a lacZ reporter gene. ...

Karim Suwwan de Felipe; Brian T. Carter; Eric A. Althoff; Virginia W. Cornish

2004-07-22T23:59:59.000Z

383

Formation of Smooth, Conformal Molecular Layers on ZnO Surfaces via Photochemical Grafting  

Science Journals Connector (OSTI)

While the surface chemistry of bulk single crystals of ZnO has been explored in some detail, these studies focused almost exclusively on small molecules in ultrahigh vacuum,(29-33) where the absence of water and associated solvation may substantially alter reactivity. ... (36-40) Recently this method has also been extended to ionic semiconductors to form stable, functional layers on gallium nitride(41) and titanium dioxide. ... For example, hydrophobic or hydrophilic ligands can control wetting and solubility properties, while functional groups such as amines can be used for subsequent covalent chemistry. ...

Rose E. Ruther; Ryan Franking; Alex M. Huhn; Jaritza Gomez-Zayas; Robert J. Hamers

2011-07-21T23:59:59.000Z

384

Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX  

Science Journals Connector (OSTI)

We extend the reactive force field ReaxFF to describe the high energy nitramine RDX and use it with molecular dynamics (MD) to study its shock-induced chemistry. We studied shock propagation via nonequilibrium MD simulations at various collision velocities. We find that for high impact velocities (>6??km/s) the RDX molecules decompose and react to form a variety of small molecules in very short time scales (<3???ps). These products are consistent with those found experimentally at longer times. For lower velocities only NO2 is formed, also in agreement with experiments.

Alejandro Strachan; Adri C. T. van Duin; Debashis Chakraborty; Siddharth Dasgupta; William A. Goddard; III

2003-08-28T23:59:59.000Z

385

Method and apparatus for combinatorial chemistry  

DOE Patents (OSTI)

A method and apparatus are provided for performing light-directed reactions in spatially addressable channels within a plurality of channels. One aspect of the invention employs photoactivatable reagents in solutions disposed into spatially addressable flow streams to control the parallel synthesis of molecules immobilized within the channels. The reagents may be photoactivated within a subset of channels at the site of immobilized substrate molecules or at a light-addressable site upstream from the substrate molecules. The method and apparatus of the invention find particularly utility in the synthesis of biopolymer arrays, e.g., oligonucleotides, peptides and carbohydrates, and in the combinatorial synthesis of small molecule arrays for drug discovery.

Foote, Robert S. (Oak Ridge, TN)

2012-06-05T23:59:59.000Z

386

Method of fabricating an optoelectronic device having a bulk heterojunction  

DOE Patents (OSTI)

A method of fabricating an organic optoelectronic device having a bulk heterojunction comprises the steps of: depositing a first layer over a first electrode by organic vapor phase deposition, wherein the first layer comprises a first organic small molecule material; depositing a second layer on the first layer such that the second layer is in physical contact with the first layer, wherein the interface of the second layer on the first layer forms a bulk heterojunction; and depositing a second electrode over the second layer to form the optoelectronic device. In another embodiment, a first layer having protrusions is deposited over the first electrode, wherein the first layer comprises a first organic small molecule material. For example, when the first layer is an electron donor layer, the first electrode is an anode, the second layer is an electron acceptor layer, and the second electrode is a cathode. As a further example, when the first layer is an electron acceptor layer, the first electrode is a cathode, the second layer is an electron donor layer, and the second electrode is an anode.

Shtein, Max (Princeton, NJ); Yang, Fan (Princeton, NJ); Forrest, Stephen R. (Princeton, NJ)

2008-09-02T23:59:59.000Z

387

CX-001036: Categorical Exclusion Determination | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

6: Categorical Exclusion Determination 6: Categorical Exclusion Determination CX-001036: Categorical Exclusion Determination Solution Processable Transparent Conductive Hole Injection Electrode for Organic Light Emitting Diode (OLED) Solid State Lighting (Pennsylvania) CX(s) Applied: B3.6 Date: 03/02/2010 Location(s): Pittsburgh, Pennsylvania Office(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory The objective of this project is to develop a solution processable transparent conducting hole injection (TCHI) electrode. American Recovery and Reinvestment Act Funding: DE-FOA-0000082. DOCUMENT(S) AVAILABLE FOR DOWNLOAD CX-001036.pdf More Documents & Publications CX-002810: Categorical Exclusion Determination CX-002813: Categorical Exclusion Determination CX-001331

388

AN ADAPTIVE MULTIFLUID INTERFACECAPTURING METHOD FOR COMPRESSIBLE FLOW IN COMPLEX GEOMETRIES \\Lambda  

E-Print Network (OSTI)

equation­of­state (EOS) specification and the method is implemented so that the EOS references are mini the interface during the solution process. The basic multifluid integrator is coupled to a Cartesian grid grid multifluid­Cartesian grid integration scheme is coupled to a local adaptive mesh refinement

Bell, John B.

389

FINITE VOLUME METHODS ON SPHERES AND SPHERICAL CENTROIDAL VORONOI MESHES  

E-Print Network (OSTI)

of linear convection­diffusion equations and nonlinear shallow water equations in the spherical geometry can be used to test numerical algorithms for more complex atmospheric circulation models. Though these models an important role and high quality grid generation is often a significant part of the overall solution process

390

Water soluble pentacene Chandrani Pramanik,a  

E-Print Network (OSTI)

and lower HOMO­LUMO gaps potentially allow for the fabrication of low cost, robust thin lm devices11­15 using solution based processing methods such as spin coating, blade coating, spray coating, ink-jet printing, etc. However, solution processed thin-lm devices typically require a multi-layer construction

Müller, Peter

391

Role of Anions in Aqueous Sol–Gel Process Enabling Flexible Cu(In,Ga)S2 Thin-Film Solar Cells  

Science Journals Connector (OSTI)

(1, 2) Todorov et al. demonstrated that solution process-based devices can achieve high performance, along with economical synthetic production. ... All binding energies were readjusted with respect to carbon. ... Solar Energy (2004), 77 (6), 685-695 CODEN: SRENA4; ISSN:0038-092X. ...

Yunjung Oh; Kyoohee Woo; Daehee Lee; Hongseuk Lee; Kyujin Kim; Inhyuk Kim; Zhaoyang Zhong; Sunho Jeong; Jooho Moon

2014-09-29T23:59:59.000Z

392

A scaling algorithm for polynomial constraint satisfaction problems  

E-Print Network (OSTI)

Mar 17, 2008 ... for partial pivoting, thereby speeding up the solution process. ... applications in semiconductor device and circuit simulations ..... rounds to the nearest integers as in Matlab, i.e., rounding in case of .... from the paper Meintjes & Morgan [13] a chemical combustion ..... //www.inma.ucl.ac.be/publi/258602.pdf.

2008-03-19T23:59:59.000Z

393

Enhanced conduction and charge-selectivity by N-doped graphene flakes in the active layer of bulk-  

E-Print Network (OSTI)

is their low power conversion efficiency (PCE). This is largely because of the low charge-carrier mobilities for low-cost, high-performance energy sources due to their low material and processing costs, flexibility, and ease of manufacturing by solution processes. However, low power-conversion efficiency (PCE) has impeded

Hong, Soon Hyung

394

Application of the 2 principle and unbiased predictive risk estimator for determining the regularization parameter in 3-D focusing gravity inversion  

Science Journals Connector (OSTI)

......rhomax] are imposed. During the inversion process if a given density value falls outside...which further complicates the solution process. First, an approach for determining...Abstracts. 251-254. 69th Ann. Internat. Mtg. Mead J.L. , Renaut R.A. A Newton......

Saeed Vatankhah; Vahid E. Ardestani; Rosemary A. Renaut

2015-01-01T23:59:59.000Z

395

fur Mathematik in den Naturwissenschaften  

E-Print Network (OSTI)

and the nonlinear Hartree and (nonlocal) exchange operators at all steps of the iterative process. We apply the self and related operators arising in the discretisation and solution process 1 #12;posed in a multivariate calculations are based on the Galerkin approximation in the problem-dependent Gaussian-type orbitals (GTO) ba

396

Decoupling Interrelated Parameters for Designing High Performance Thermoelectric Materials  

Science Journals Connector (OSTI)

Decoupling Interrelated Parameters for Designing High Performance Thermoelectric Materials ... Solution Processed Cu2CoSnS4 Thin Films for Photovoltaic Applications ... Earth abundant alternative chalcopyrite Cu2CoSnS4 (CCTS) thin films were deposited by a facile sol–gel process onto larger substrates. ...

Chong Xiao; Zhou Li; Kun Li; Pengcheng Huang; Yi Xie

2014-02-11T23:59:59.000Z

397

Abstracts  

Science Journals Connector (OSTI)

...analyses of spillways, non-straight gravity dams and dams with...commercial activity, its two gasoline stations, the fire station...initial FFT-based detector is run on the continuous data from...solution process in a natural and straight- forward way.The weight...

398

Subscriber access provided by UNIV TORONTO ACS Nano is published by the American Chemical Society. 1155 Sixteenth Street  

E-Print Network (OSTI)

's College Road, Toronto, Ontario M5S 3G4, Canada S olution-processed solar cells are of great technological interest due to their low-cost fabrication and their potential to provide efficient conversion of solar energy.1,2 Organic solar cells made by solution processing have already exhibited 6.5% AM1.5 solar power

399

Broadband solar absorption enhancement via periodic  

E-Print Network (OSTI)

Broadband solar absorption enhancement via periodic nanostructuring of electrodes Michael M. Adachi Department of Electrical and Computer Engineering, University of Toronto, Toronto, Ontario M5S 3G4, Canada, 2 Province, 230009, P. R. China. Solution processed colloidal quantum dot (CQD) solar cells have great

400

Folded-Light-Path Colloidal Quantum Dot Solar Cells  

E-Print Network (OSTI)

Folded-Light-Path Colloidal Quantum Dot Solar Cells Ghada I. Koleilat*, Illan J. Kramer*, Chris T, Canada. Colloidal quantum dot photovoltaics combine low-cost solution processing with quantum size-effect tuning to match absorption to the solar spectrum. Rapid advances have led to certified solar power

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


401

1  

NLE Websites -- All DOE Office Websites (Extended Search)

Counting small RNA in disease-causing Counting small RNA in disease-causing organisms June 17, 2013 Small molecules of RNA (tens to hundreds of nucleotides in length) play a key regulatory role in bacteria. Due to their small size, directly measuring the number of small RNA (sRNA) present in a single bacterium has proven so far to be an impossible task. Standard methods of measuring the number of specific nucleic acid molecules present in a single cell suffer from too much background and false positives when scientists attempt to image short targets. In research featured on the cover of the journal Analytical Chemistry, Los Alamos researchers demonstrated improved technical methods capable of directly counting small RNA molecules in pathogenic (disease- causing) bacteria. Significance of the research

402

Counting small RNA in disease-causing organisms  

NLE Websites -- All DOE Office Websites (Extended Search)

Counting small RNA in disease-causing organisms Counting small RNA in disease-causing organisms Counting small RNA in disease-causing organisms Los Alamos researchers demonstrated improved technical methods capable of directly counting small RNA molecules in pathogenic (disease-causing) bacteria. June 17, 2013 Artist's concept of the fluorescence labeling and detection of small RNA in pathogenic bacteria. Artist's concept of the fluorescence labeling and detection of small RNA in pathogenic bacteria. The new technique reduced the number of false positives, which improved the accuracy of the count statistics, and it significantly reduced the image processing time. Small molecules of RNA (tens to hundreds of nucleotides in length) play a key regulatory role in bacteria. Due to their small size, directly

403

A New Route to Nano Self-Assembly  

NLE Websites -- All DOE Office Websites (Extended Search)

A New Route to Nano Self-Assembly Print A New Route to Nano Self-Assembly Print If the promise of nanotechnology is to be fulfilled, nanoparticles will have to be able to make something of themselves. An important advance toward this goal has been achieved by researchers who have found a simple and yet powerfully robust way to induce nanoparticles to assemble themselves into complex arrays. By adding specific types of small molecules to mixtures of nanoparticles and polymers, they were able to direct the self-assembly of the nanoparticles into arrays of one, two, and even three dimensions with no chemical modification of either the nanoparticles or the block copolymers. In addition, the application of external stimuli, such as light and/or heat, can be used to further direct the assemblies of nanoparticles for even finer and more complex structural details, a result verified by small-angle x-ray scattering (SAXS) at the ALS.

404

The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90  

NLE Websites -- All DOE Office Websites (Extended Search)

The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90 Print The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90 Print The previously undetected fullerene D5h(1)-C90-with a distinct nanotubular shape-has been isolated as the major C90 isomer produced from Sm2O3-doped graphite rods and structurally identified by single-crystal x-ray diffraction. Fullerenes are well-defined molecules that consist of closed cages of carbon atoms and distinct inside and outside surfaces. They tend to form very small crystals; consequently, high-resolution data was collected using small-molecule crystallography at ALS Beamline 11.3.1. The discovery of nanotubular D5h(1)-C90, which is a fullerene with 90 carbon atoms and D5h symmetry, opens a bridge between molecular fullerenes and carbon nanotubes. Fullerenes Mimicking Nanotubes

405

The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90  

NLE Websites -- All DOE Office Websites (Extended Search)

The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90 Print The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90 Print The previously undetected fullerene D5h(1)-C90-with a distinct nanotubular shape-has been isolated as the major C90 isomer produced from Sm2O3-doped graphite rods and structurally identified by single-crystal x-ray diffraction. Fullerenes are well-defined molecules that consist of closed cages of carbon atoms and distinct inside and outside surfaces. They tend to form very small crystals; consequently, high-resolution data was collected using small-molecule crystallography at ALS Beamline 11.3.1. The discovery of nanotubular D5h(1)-C90, which is a fullerene with 90 carbon atoms and D5h symmetry, opens a bridge between molecular fullerenes and carbon nanotubes. Fullerenes Mimicking Nanotubes

406

Argonne CNM: 2012 Colloquium Series  

NLE Websites -- All DOE Office Websites (Extended Search)

2 Colloquium Series 2 Colloquium Series 2013 | 2012 | 2011 | 2010 | 2009 | 2008 | 2007 | Date Title Special Colloquium December 13, 2012 "Pathways to Complex Matter Far-Away-From Equilibrium: Developing Spatiotemporal Tools," by Gopal Shenoy, Argonne National Laboratory, hostged by Daniel Lopez Abstract: From the Big Bang to the coming of humankind, every manifestation of nature has exhibited processes far-away-from equilibrium leading to increasingly complex structural orders from geological to atomic length and time scales. Examples include the evolution of galaxies, hurricanes, stars, and planets; prebiotic reactions; cyclical reactions; photosynthesis; and life itself. The organizational spatiotemporal evolution in soft, hard, and biological matter also follows the same path. It begins from a far-from-equilibrium state and develops over time into organizations with length scales between atoms and small molecules on the one hand and mesoscopic matter on the other.

407

Comb-shaped single ion conductors based on polyacrylate ethers and lithium  

NLE Websites -- All DOE Office Websites (Extended Search)

Comb-shaped single ion conductors based on polyacrylate ethers and lithium Comb-shaped single ion conductors based on polyacrylate ethers and lithium alkyl sulfonate Title Comb-shaped single ion conductors based on polyacrylate ethers and lithium alkyl sulfonate Publication Type Journal Article Year of Publication 2005 Authors Sun, Xiao-Guang, Jun Hou, and John B. Kerr Journal Electrochimica Acta Volume 50 Pagination 1139-1147 Keywords ionic conductivity, plasticizer, polyacrylate ethers, single ion conductor Abstract Comb-shaped single ion conductors have been synthesized by sulfonation of small molecule chloroethyleneglycols, which, after ion exchange to the Li+ salt were then converted to the acrylate by reaction with acryloyl chloride and copolymerized with polyethylene glycol monomethyl ether acrylate (Mn = 454, n = 8) (PAE8-co-E3SO3Li);

408

A New Route to Nano Self-Assembly  

NLE Websites -- All DOE Office Websites (Extended Search)

A New Route to Nano Self-Assembly Print A New Route to Nano Self-Assembly Print If the promise of nanotechnology is to be fulfilled, nanoparticles will have to be able to make something of themselves. An important advance toward this goal has been achieved by researchers who have found a simple and yet powerfully robust way to induce nanoparticles to assemble themselves into complex arrays. By adding specific types of small molecules to mixtures of nanoparticles and polymers, they were able to direct the self-assembly of the nanoparticles into arrays of one, two, and even three dimensions with no chemical modification of either the nanoparticles or the block copolymers. In addition, the application of external stimuli, such as light and/or heat, can be used to further direct the assemblies of nanoparticles for even finer and more complex structural details, a result verified by small-angle x-ray scattering (SAXS) at the ALS.

409

The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90  

NLE Websites -- All DOE Office Websites (Extended Search)

The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90 Print The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90 Print The previously undetected fullerene D5h(1)-C90-with a distinct nanotubular shape-has been isolated as the major C90 isomer produced from Sm2O3-doped graphite rods and structurally identified by single-crystal x-ray diffraction. Fullerenes are well-defined molecules that consist of closed cages of carbon atoms and distinct inside and outside surfaces. They tend to form very small crystals; consequently, high-resolution data was collected using small-molecule crystallography at ALS Beamline 11.3.1. The discovery of nanotubular D5h(1)-C90, which is a fullerene with 90 carbon atoms and D5h symmetry, opens a bridge between molecular fullerenes and carbon nanotubes. Fullerenes Mimicking Nanotubes

410

A New Route to Nano Self-Assembly  

NLE Websites -- All DOE Office Websites (Extended Search)

A New Route to Nano Self-Assembly Print A New Route to Nano Self-Assembly Print If the promise of nanotechnology is to be fulfilled, nanoparticles will have to be able to make something of themselves. An important advance toward this goal has been achieved by researchers who have found a simple and yet powerfully robust way to induce nanoparticles to assemble themselves into complex arrays. By adding specific types of small molecules to mixtures of nanoparticles and polymers, they were able to direct the self-assembly of the nanoparticles into arrays of one, two, and even three dimensions with no chemical modification of either the nanoparticles or the block copolymers. In addition, the application of external stimuli, such as light and/or heat, can be used to further direct the assemblies of nanoparticles for even finer and more complex structural details, a result verified by small-angle x-ray scattering (SAXS) at the ALS.

411

Page not found | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

1001 - 21010 of 31,917 results. 1001 - 21010 of 31,917 results. Download CX-009472: Categorical Exclusion Determination Small Molecule Associative Carbon Dioxide Thickeners for Improved Mobility Control CX(s) Applied: A1, B3.6 Date: 10/15/2012 Location(s): Pennsylvania Offices(s): National Energy Technology Laboratory http://energy.gov/nepa/downloads/cx-009472-categorical-exclusion-determination Download CX-009475: Categorical Exclusion Determination Midwest Region Alternative Fuels Project CX(s) Applied: B5.1 Date: 10/09/2012 Location(s): Kansas Offices(s): National Energy Technology Laboratory http://energy.gov/nepa/downloads/cx-009475-categorical-exclusion-determination Download CX-010172: Categorical Exclusion Determination Ignition and Combustion Characteristics of Transportation Fuels under

412

Javier Concepcion  

NLE Websites -- All DOE Office Websites (Extended Search)

Javier Concepcion Javier Concepcion Associate Chemist Chemistry Department Building 555 Brookhaven National Laboratory P.O. Box 5000 Upton, NY 11973-5000 Phone: (631) 344-4369 FAX: (631) 344-5815 e-mail Artificial Photosynthesis Group Research Interests Chemical, electrochemical and photochemical catalytic processes related to artificial photosynthesis, especially water oxidation and water/CO2 reduction. Ground and excited state proton-coupled electron transfer (PCET), kinetic and mechanistic studies related to homogeneous and heterogeneous small molecule activation with a combination of experimental techniques and DFT calculations. Education Ph.D. Inorganic Chemistry, Pontifical Catholic University of Chile (Chile) and Georgia Institute of Technology (USA), March 2002 B.S. Chemistry, Central University of Las Villas (Cuba), July 1992

413

miRNA as Bystander Effect Factor  

NLE Websites -- All DOE Office Websites (Extended Search)

miRNA as Bystander Effect Factor miRNA as Bystander Effect Factor L. Smilenov Columbia University Abstract miRNA are 21-23 mer RNA molecules which are essential for organism development and cell functions. They regulate gene expression by binding to the 3’UTR of mRNA, inducing either mRNA degradation or mRNA silencing. The most characteristic properties of miRNA are their multi-targeting potential (one miRNA may target many genes). This high information content of miRNAs makes them very important factors in cell reprogramming. Since these are small molecules which can potentially pass through gap junctions, it is logical to consider their role in cell to cell communication. We hypothesized that miRNA transfer between cells is likely to occur under stress conditions. To test this hypothesis we developed a system designed

414

BNL Photo- and Radiation Chemistry Group Members  

NLE Websites -- All DOE Office Websites (Extended Search)

and Radiation Chemistry Group and Radiation Chemistry Group Chemistry Department, Brookhaven National Laboratory Staff Diane E. Cabelli Redox chemistry of high oxidation state transition-metal complexes, particularly CuIII, MnIII/MnIV; Superoxide chemistry in aqueous solutions: dismutation of superoxide radical; copper-zinc superoxide dismutase and model compounds. Andrew R. Cook Excited state structure, dynamics and electron transfer reactions of a variety of organic radicals in both low temperature matrices and room temperature solutions using radiation chemistry techniques. Robert A. Crowell Ultrafast reaction phenomena. Etsuko Fujita Photochemistry of transition-metal complexes, small molecule activation by high- and low-oxidation state metal complexes; and biomimetic chemistry of porphyrins and enzymes.

415

News Item  

NLE Websites -- All DOE Office Websites (Extended Search)

List List 80+ Reactive Ion Etcher (tool referred to as the RIE by nanofab staff) AAPPTec Apex 396 Peptide Synthesizer AB Sciex TF4800 MALDI-TOF-TOF - Ideal for small molecules and (bio)polymers between 500 and 150,000 Da molecular weights ABM optical contact printer Agilent (Molecular Imaging) PicoPlus Scanning Probe Microscope Agilent 1100 series (ion trap) LC-MS-MS Mass spectrometer Agilent 1100 Series Agilent 1200 nanoHPLC System Agilent 1260 Infinity Agilent analytical HPLC Agilent Capillary Electrophoresis System Agilent Cary 5000 UV-Vis-NIR Spectrophotometer Agilent GC-MS 6890 Chromatograph Agilent Precision Semiconductor Parameter Analyzer Agilent prep and semi-prep HPLC's Aixtron PECVD for carbon nanotubes and graphene Anaerobic chamber Arbin Electrochemical Battery Tester

416

The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90  

NLE Websites -- All DOE Office Websites (Extended Search)

The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90 Print The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90 Print The previously undetected fullerene D5h(1)-C90-with a distinct nanotubular shape-has been isolated as the major C90 isomer produced from Sm2O3-doped graphite rods and structurally identified by single-crystal x-ray diffraction. Fullerenes are well-defined molecules that consist of closed cages of carbon atoms and distinct inside and outside surfaces. They tend to form very small crystals; consequently, high-resolution data was collected using small-molecule crystallography at ALS Beamline 11.3.1. The discovery of nanotubular D5h(1)-C90, which is a fullerene with 90 carbon atoms and D5h symmetry, opens a bridge between molecular fullerenes and carbon nanotubes. Fullerenes Mimicking Nanotubes

417

Radiotracer Chemistry  

NLE Websites -- All DOE Office Websites (Extended Search)

Radiotracer Chemistry Radiotracer Chemistry Radiotracer chemistry is focused on the short lived positron emitters. New radiotracer chemistry and molecular targeting strategies are being developed to increase the complexity and diversity of molecular probes (small molecules and plant hormones) for imaging applications. We emphasize C-11 chemistry because the substitution of stable carbon with carbon-11 provides the opportunity to measure and quantify the distribution and kinetics of physiologically relevant substrates and signaling molecules without altering the biological properties of the parent molecule. Recent accomplishments include the development of miniaturized automated systems for the production of C-11 precursor molecules, the synthesis of C-11 labeled azaleic acid and the radiolabeling of auxin for studies of their movement and metabolism in the whole plant in vivo.

418

A New Route to Nano Self-Assembly  

NLE Websites -- All DOE Office Websites (Extended Search)

A New Route to Nano Self-Assembly Print A New Route to Nano Self-Assembly Print If the promise of nanotechnology is to be fulfilled, nanoparticles will have to be able to make something of themselves. An important advance toward this goal has been achieved by researchers who have found a simple and yet powerfully robust way to induce nanoparticles to assemble themselves into complex arrays. By adding specific types of small molecules to mixtures of nanoparticles and polymers, they were able to direct the self-assembly of the nanoparticles into arrays of one, two, and even three dimensions with no chemical modification of either the nanoparticles or the block copolymers. In addition, the application of external stimuli, such as light and/or heat, can be used to further direct the assemblies of nanoparticles for even finer and more complex structural details, a result verified by small-angle x-ray scattering (SAXS) at the ALS.

419

NREL: Computational Science - Travis Kemper  

NLE Websites -- All DOE Office Websites (Extended Search)

Travis Kemper Travis Kemper Post Doctoral Researcher Phone: (303) 275-3787 Email: Travis.Kemper@nrel.gov Dr. Travis Kemper is a post doctorate researcher in the Computational Science Center. He received his B.S. degree in applied physics from University of California, Santa Cruz, and his Ph.D. from the University of Florida where he developed reactive force fields. During his post doctorate work at Georgia Tech he conducted classical molecular dynamics simulations of small molecule thin films for organic electronics. Currently he is conducting classical molecular dynamics simulations and electronic structure calculations in relation to morphological effects on polymer-based batteries and photovoltaics. Printable Version NREL is a national laboratory of the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, operated by the Alliance for Sustainable Energy, LLC.

420

Primer_Summer_2011_061011_v2.indd  

NLE Websites -- All DOE Office Websites (Extended Search)

1 Volume 8 Issue 3 1 Volume 8 Issue 3 For decades, citric acid has been produced on a commercial- scale basis with the help of the fungus Aspergillus niger. Outside industry, A. niger is also known to be involved in the global carbon cycle, and its enzymes can be used to break down plant cell walls and get at the sugars that can in turn be fermented for use as biofuels. "Aspergillus niger is an industrial workhorse for enzymes and small molecules such as organic acids," said Scott Baker of the Pacific Northwest National Laboratory. "We know that this single organism is used for production of organic acids and for enzymes, and it can degrade plant cell wall matter for sugar production. For biofuels it's a highly relevant organism since it's already been

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


421

Stability Breakout Session  

NLE Websites -- All DOE Office Websites (Extended Search)

Breakout Session Breakout Session I Chemical Stability * What are the Reactions? i. Products must be identified (loss of IEC is not enough) ii. Establish reaction mechanism(s) iii. Measure the kinetics II Reaction of membrane with OH - /HCO 3 - /CO 3 2- at various hydration levels - nucleophilicity and basicity of anion species i. Cations a) Small molecule analogues b) Effects of hydration state and temperature c) Cation design R 4 N + ???? Families of cations * Ammoniums * Guanadiniums * Sulfoniums * Phosphoniums [problematic] * Phosphazeniums II Reaction with OH - /HCO 3 - /CO 3 2- and Hydration levels (cont'd) ii. Tethers - Link to cation - Link to backbone - Spacers (in between) iii. Backbone a) Hydrocarbon - Structure - Functional makeup b) Fluoropolymer III Reactive O 2 Species HOO - /H

422

David Grills  

NLE Websites -- All DOE Office Websites (Extended Search)

David Grills David Grills Chemist Chemistry Department Building 555 Brookhaven National Laboratory P.O. Box 5000 Upton, NY 11973-5000 Phone: (631) 344-4332 FAX: (631) 344-5815 e-mail Artificial Photosynthesis Electron- and Photo-Induced Processes for Molecular Energy Conversion Research Interests Photochemistry and radiation chemistry of transition metal complexes and organometallic compounds in conventional solvents, supercritical fluids and ionic liquids, relevant to applications in solar fuels production and catalysis. Transient spectroscopic techniques (UV-visible and time-resolved infrared (TRIR)) on fast and ultrafast timescales. Photochemical CO2 reduction and small molecule activation. Development of advanced spectroscopic methods for mechanistic investigations. For example, the coupling of TRIR spectroscopy with pulse radiolysis.

423

A New Route to Nano Self-Assembly  

NLE Websites -- All DOE Office Websites (Extended Search)

A New Route to Nano Self-Assembly Print A New Route to Nano Self-Assembly Print If the promise of nanotechnology is to be fulfilled, nanoparticles will have to be able to make something of themselves. An important advance toward this goal has been achieved by researchers who have found a simple and yet powerfully robust way to induce nanoparticles to assemble themselves into complex arrays. By adding specific types of small molecules to mixtures of nanoparticles and polymers, they were able to direct the self-assembly of the nanoparticles into arrays of one, two, and even three dimensions with no chemical modification of either the nanoparticles or the block copolymers. In addition, the application of external stimuli, such as light and/or heat, can be used to further direct the assemblies of nanoparticles for even finer and more complex structural details, a result verified by small-angle x-ray scattering (SAXS) at the ALS.

424

A New Route to Nano Self-Assembly  

NLE Websites -- All DOE Office Websites (Extended Search)

A New Route to Nano Self-Assembly Print A New Route to Nano Self-Assembly Print If the promise of nanotechnology is to be fulfilled, nanoparticles will have to be able to make something of themselves. An important advance toward this goal has been achieved by researchers who have found a simple and yet powerfully robust way to induce nanoparticles to assemble themselves into complex arrays. By adding specific types of small molecules to mixtures of nanoparticles and polymers, they were able to direct the self-assembly of the nanoparticles into arrays of one, two, and even three dimensions with no chemical modification of either the nanoparticles or the block copolymers. In addition, the application of external stimuli, such as light and/or heat, can be used to further direct the assemblies of nanoparticles for even finer and more complex structural details, a result verified by small-angle x-ray scattering (SAXS) at the ALS.

425

Bredas-121511 - Argonne National Laboratories, Materials Sicence Division  

NLE Websites -- All DOE Office Websites (Extended Search)

Bredas-121511 Bredas-121511 MATERIALS SCIENCE COLLOQUIUM SPEAKER: Professor Jean-Luc Bredas Georgia Tech TITLE: "Electronic and Optical Processes in Organic Semiconductors: The Case of Organic Solar Cells" DATE: Thursday, December 15, 2011 TIME: 11:00 a.m. PLACE: Building 212 / A-157 HOST: John Schlueter Refreshments will be served at 10:45 a.m. ABSTRACT: Our objective in this presentation is two-fold. First, we provide a general overview of the optical and electronic processes that take place in a solid-state organic solar cell, which we define as a cell in which the semiconducting materials between the electrodes are organic, be them polymers, oligomers, or small molecules. We briefly turn our attention to: (i) optical absorption and exciton formation; (ii) exciton migration to the

426

The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90  

NLE Websites -- All DOE Office Websites (Extended Search)

The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90 Print The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90 Print The previously undetected fullerene D5h(1)-C90-with a distinct nanotubular shape-has been isolated as the major C90 isomer produced from Sm2O3-doped graphite rods and structurally identified by single-crystal x-ray diffraction. Fullerenes are well-defined molecules that consist of closed cages of carbon atoms and distinct inside and outside surfaces. They tend to form very small crystals; consequently, high-resolution data was collected using small-molecule crystallography at ALS Beamline 11.3.1. The discovery of nanotubular D5h(1)-C90, which is a fullerene with 90 carbon atoms and D5h symmetry, opens a bridge between molecular fullerenes and carbon nanotubes. Fullerenes Mimicking Nanotubes

427

A New Route to Nano Self-Assembly  

NLE Websites -- All DOE Office Websites (Extended Search)

A New Route to Nano Self-Assembly Print A New Route to Nano Self-Assembly Print If the promise of nanotechnology is to be fulfilled, nanoparticles will have to be able to make something of themselves. An important advance toward this goal has been achieved by researchers who have found a simple and yet powerfully robust way to induce nanoparticles to assemble themselves into complex arrays. By adding specific types of small molecules to mixtures of nanoparticles and polymers, they were able to direct the self-assembly of the nanoparticles into arrays of one, two, and even three dimensions with no chemical modification of either the nanoparticles or the block copolymers. In addition, the application of external stimuli, such as light and/or heat, can be used to further direct the assemblies of nanoparticles for even finer and more complex structural details, a result verified by small-angle x-ray scattering (SAXS) at the ALS.

428

Ligand-gated Diffusion Across the Bacterial Outer Membrane  

SciTech Connect

Ligand-gated channels, in which a substrate transport pathway is formed as a result of the binding of a small-molecule chemical messenger, constitute a diverse class of membrane proteins with important functions in prokaryotic and eukaryotic organisms. Despite their widespread nature, no ligand-gated channels have yet been found within the outer membrane (OM) of Gram-negative bacteria. Here we show, using in vivo transport assays, intrinsic tryptophan fluorescence and X-ray crystallography, that high-affinity (submicromolar) substrate binding to the OM long-chain fatty acid transporter FadL from Escherichia coli causes conformational changes in the N terminus that open up a channel for substrate diffusion. The OM long-chain fatty acid transporter FadL from E. coli is a unique paradigm for OM diffusion-driven transport, in which ligand gating within a {beta}-barrel membrane protein is a prerequisite for channel formation.

B Lepore; M Indic; H Pham; E Hearn; D Patel; B van den Berg

2011-12-31T23:59:59.000Z

429

Singlet-Triplet Energy Gaps for Diradicals from Fractional-Spin Density-Functional Theory  

SciTech Connect

Open-shell singlet diradicals are difficult to model accurately within conventional Kohn?Sham (KS) density-functional theory (DFT). These methods are hampered by spin contamination because the KS determinant wave function is neither a pure spin state nor an eigenfunction of the S2 operator. Here we present a theoretical foray for using single-reference closed-shell ground states to describe diradicals by fractional-spin DFT (FS-DFT). This approach allows direct, self-consistent calculation of electronic properties using the electron density corresponding to the proper spin eigenfunction. The resulting FS-DFT approach is benchmarked against diradical singlet?triplet gaps for atoms and small molecules. We have also applied FS-DFT to the singlet?triplet gaps of hydrocarbon polyacenes.

Ess, Daniel H.; Johnson, E R; Hu, Xiangqian; Yang, W T

2011-01-01T23:59:59.000Z

430

Hierarchical mesoporous/microporous carbon with graphitized frameworks for high-performance lithium-ion batteries  

SciTech Connect

A hierarchical meso-/micro-porous graphitized carbon with uniform mesopores and ordered micropores, graphitized frameworks, and extra-high surface area of ?2200 m{sup 2}/g, was successfully synthesized through a simple one-step chemical vapor deposition process. The commercial mesoporous zeolite Y was utilized as a meso-/ micro-porous template, and the small-molecule methane was employed as a carbon precursor. The as-prepared hierarchical meso-/micro-porous carbons have homogeneously distributed mesopores as a host for electrolyte, which facilitate Li{sup +} ions transport to the large-area micropores, resulting a high reversible lithium ion storage of 1000 mA h/g and a high columbic efficiency of 65% at the first cycle.

Lv, Yingying; Fang, Yin; Qian, Xufang; Tu, Bo [Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Laboratory of Advanced Materials, Fudan University, Shanghai 200433 (China); Wu, Zhangxiong [Department of Chemical Engineering, Monash University, Clayton, VIC 3800 (Australia); Asiri, Abdullah M. [Chemistry Department and The Center of Excellence for Advanced Materials Research, King Abdulaziz University, P.O. Box 80203, Jeddah 21589 (Saudi Arabia); Zhao, Dongyuan, E-mail: dyzhao@fudan.edu.cn [Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Laboratory of Advanced Materials, Fudan University, Shanghai 200433 (China); Department of Chemical Engineering, Monash University, Clayton, VIC 3800 (Australia)

2014-11-01T23:59:59.000Z

431

Advances in cryogenic transmission electron microscopy for the characterization of dynamic self-assembling nanostructures  

Science Journals Connector (OSTI)

Elucidating the structural information of nanoscale materials in their solvent-exposed state is crucial, as a result, cryogenic transmission electron microscopy (cryo-TEM) has become an increasingly popular technique in the materials science, chemistry, and biology communities. Cryo-TEM provides a method to directly visualize the specimen structure in a solution-state through a thin film of vitrified solvent. This technique complements X-ray, neutron, and light scattering methods that probe the statistical average of all species present; furthermore, cryo-TEM can be used to observe changes in structure over time. In the area of self-assembly, this tool has been particularly powerful for the characterization of natural and synthetic small molecule assemblies, as well as hybrid organic–inorganic composites. In this review, we discuss recent advances in cryogenic TEM in the context of self-assembling systems with emphasis on characterization of transitions observed in response to external stimuli.

Christina J. Newcomb; Tyson J. Moyer; Sungsoo S. Lee; Samuel I. Stupp

2012-01-01T23:59:59.000Z

432

Novel SERS materials for multiplex biomolecular detection via controlled nanoparticle linking and polymer encapsulation  

SciTech Connect

Over the past decade the emphasis on single-molecule sensitivity of surface-enhanced Raman spectroscopy (SERS) has brought to prominence the special role played by so-called SERS 'hot spots', oftentimes nanometer-scale junctions between nanostructures. In this report, optimally SERS enhancing silver clusters were synthesized using bifunctional linkers and polymer and/or protein encapsulation. The synthesis, which results in stable clusters even when stored for months or dried and re-dissolved, is scalable to large quantities. Using a sacrificial linker approach we also employ a permeable polymer/protein shell for general small molecule sensing. Finally, we utilize these nanomaterials by tagging specific epitopes on cancer cells and show that SERS signals from single clusters can be measured routinely.

Braun, G B; Lee, S J; Laurence, T; Fera, N; Fabris, L; Bazan, G C; Moskovits, M; Reich, N O

2008-07-21T23:59:59.000Z

433

Strategies for Probing Nanometer-Scale Electrocatalysts: From Single Particles to Catalyst-Membrane Architectures  

SciTech Connect

The project primary objectives are to prepare and elucidate the promoting properties of materials that possess high activity for the conversion of hydrogen and related small molecules (water, oxygen, carbon monoxide and methanol) in polymer electrolyte fuel cells. One area of research has focused on the study of catalyst materials. Protocols were developed for probing the structure and benchmarking the activity of Pt and Pt bimetallic nanometer-scale catalyst against Pt single crystal electrode standards. A second area has targeted fuel cell membrane and the advancement of simple methods mainly based on vibrational spectroscopy that can be applied broadly in the study of membrane structure and transport properties. Infrared and Raman methods combined with least-squares data modeling were applied to investigate and assist the design of robust, proton conductive membranes, which resist reactant crossover.

Korzeniewski, Carol

2014-01-20T23:59:59.000Z

434

Solvent Immersion Imprint Lithography  

SciTech Connect

The mechanism of polymer disolution was explored for polymer microsystem prototyping, including microfluidics and optofluidics. Polymer films are immersed in a solvent, imprinted and finally brought into contact with a non-modified surface to permanently bond. The underlying polymer-solvent interactions were experimentally and theoretically investigated, and enabled rapid polymer microsystem prototyping. During imprinting, small molecule integration in the molded surfaces was feasible, a principle applied to oxygen sensing. Polystyrene (PS) was employed for microbiological studies at extreme environmental conditions. The thermophile anaerobe Clostridium Thermocellum was grown in PS pore-scale micromodels, revealing a double mean generation lifetime than under ideal culture conditions. Microsystem prototyping through directed polymer dissolution is simple and accessible, while simultaneous patterning, bonding, and surface/volume functionalization are possible in less than one minute.

Vasdekis, Andreas E.; Wilkins, Michael J.; Grate, Jay W.; Kelly, Ryan T.; Konopka, Allan; Xantheas, Sotiris S.; Chang, M. T.

2014-06-21T23:59:59.000Z

435

Binding-induced Folding of Prokaryotic Ubiquitin-like Protein on the Mycobacterium Proteasomal ATPase Targets Substrates for Degradation  

SciTech Connect

Mycobacterium tuberculosis uses a proteasome system that is analogous to the eukaryotic ubiquitin-proteasome pathway and is required for pathogenesis. However, the bacterial analog of ubiquitin, prokaryotic ubiquitin-like protein (Pup), is an intrinsically disordered protein that bears little sequence or structural resemblance to the highly structured ubiquitin. Thus, it was unknown how pupylated proteins were recruited to the proteasome. Here, we show that the Mycobacterium proteasomal ATPase (Mpa) has three pairs of tentacle-like coiled coils that recognize Pup. Mpa bound unstructured Pup through hydrophobic interactions and a network of hydrogen bonds, leading to the formation of an {alpha}-helix in Pup. Our work describes a binding-induced folding recognition mechanism in the Pup-proteasome system that differs mechanistically from substrate recognition in the ubiquitin-proteasome system. This key difference between the prokaryotic and eukaryotic systems could be exploited for the development of a small molecule-based treatment for tuberculosis.

T Wang; K Heran Darwin; H Li

2011-12-31T23:59:59.000Z

436

Binding-induced folding of prokaryotic ubiquitin-like protein on the mycobacterium proteasomal ATPase targets substrates for degradation  

SciTech Connect

Mycobacterium tuberculosis uses a proteasome system that is analogous to the eukaryotic ubiquitin-proteasome pathway and is required for pathogenesis. However, the bacterial analog of ubiquitin, prokaryotic ubiquitin-like protein (Pup), is an intrinsically disordered protein that bears little sequence or structural resemblance to the highly structured ubiquitin. Thus, it was unknown how pupylated proteins were recruited to the proteasome. Here, we show that the Mycobacterium proteasomal ATPase (Mpa) has three pairs of tentacle-like coiled coils that recognize Pup. Mpa bound unstructured Pup through hydrophobic interactions and a network of hydrogen bonds, leading to the formation of an {alpha}-helix in Pup. Our work describes a binding-induced folding recognition mechanism in the Pup-proteasome system that differs mechanistically from substrate recognition in the ubiquitin-proteasome system. This key difference between the prokaryotic and eukaryotic systems could be exploited for the development of a small molecule-based treatment for tuberculosis.

Wang, T.; Li, H.; Darwin, K. H.

2010-11-01T23:59:59.000Z

437

Organic photosensitive cells grown on rough electrode with nano-scale morphology control  

DOE Patents (OSTI)

An optoelectronic device and a method for fabricating the optoelectronic device includes a first electrode disposed on a substrate, an exposed surface of the first electrode having a root mean square roughness of at least 30 nm and a height variation of at least 200 nm, the first electrode being transparent. A conformal layer of a first organic semiconductor material is deposited onto the first electrode by organic vapor phase deposition, the first organic semiconductor material being a small molecule material. A layer of a second organic semiconductor material is deposited over the conformal layer. At least some of the layer of the second organic semiconductor material directly contacts the conformal layer. A second electrode is deposited over the layer of the second organic semiconductor material. The first organic semiconductor material is of a donor-type or an acceptor-type relative to the second organic semiconductor material, which is of the other material type.

Yang, Fan (Piscataway, NJ); Forrest, Stephen R. (Ann Arbor, MI)

2011-06-07T23:59:59.000Z

438

Kinetics of the reaction between plutonium dioxide and water from 25?°C to 350?°C: Formation and properties of the phases PuO 2+ X  

Science Journals Connector (OSTI)

In the areas of plutonium waste disposition and storage and medium to long-term retrievable Pu materials storage the issue of water and other small molecule interactions with pure or impure Pu oxide materials and metal has become a major concern. The interaction of PuO 2 with water was investigated from 100?°C to 350?°C using a suite of experimental techniques which include microbalance and pressure-volume-temperature (PVT) methods thermal gravimetric analysis (TGA) mass spectrometry (MS) x-ray and neutron diffraction. Reaction rates and oxide compositions were determined from measured increases in sample mass or pressure over time (t). Gaseous and solid products were analyzed using MS and diffraction methods respectively.

L. Morales; T. Allen; J. Haschke

2000-01-01T23:59:59.000Z

439

Non-Born–Oppenheimer self-consistent field calculations with cubic scaling  

Science Journals Connector (OSTI)

An efficient nuclear molecular orbital methodology is presented. This approach combines an auxiliary density functional theory for electrons (ADFT) and a localized Hartree product (LHP) representation for the nuclear wave function. A series of test calculations conducted on small molecules exposed that energy and geometry errors introduced by the use of ADFT and LHP approximations are small and comparable to those obtained by the use of electronic ADFT. In addition, sample calculations performed on (HF)n chains disclosed that the combined ADFT/LHP approach scales cubically with system size (n) as opposed to the quartic scaling of Hartree–Fock/LHP or DFT/LHP methods. Even for medium size molecules the improved scaling of the ADFT/LHP approach resulted in speedups of at least 5x with respect to Hartree–Fock/LHP calculations. The ADFT/LHP method opens up the possibility of studying nuclear quantum effects on large size systems that otherwise would be impractical.

Félix Moncada; Edwin Posada; Roberto Flores-Moreno; Andrés Reyes

2012-01-01T23:59:59.000Z

440

Origin of Entropy Convergence in Hydrophobic Hydration and Protein Folding  

SciTech Connect

An information theory model of hydrophobic effects is used to construct a molecular explanation why hydrophobic solvation entropies of protein unfolding measured by high sensitivity calorimetry converge to zero at a common convergence temperature. The entropy convergence follows directly from the weak temperature dependence of occupancy fluctuations {l_angle}{delta}{ital n}{sup 2}{r_angle} for molecular-scale volumes in water. The macroscopic expression of the contrasting entropic behavior of water relative to common organic solvents is the {ital relative} temperature insensitivity of the water isothermal compressibility compared to hydrocarbon liquids. The information theory model used provides a quantitative description of small molecule hydration and, in addition, predicts that the value of the entropy at convergence is slightly {ital negative}. Interpretations of entropic contributions to protein folding should account for this result. {copyright} {ital 1996 The American Physical Society.}

Garde, S.; Hummer, G.; Garcia, A.E.; Paulaitis, M.E.; Pratt, L.R. [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)] [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); [Center for Molecular and Engineering Thermodynamics, Department of Chemical Engineering, University of Delaware, Newark, Delaware 19716 (United States); [Department of Chemical Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States)

1996-12-01T23:59:59.000Z

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


441

New Computational Approaches for NMR-based Drug Design: A Protocol for Ligand Docking to Flexible Target Sites  

SciTech Connect

NMR-based drug design has met with some success in the last decade, as illustrated in numerous instances by Fesik's ''ligand screening by NMR'' approach. Ongoing efforts to generalize this success have led us to the development of a new paradigm in which quantitative computational approaches are being integrated with NMR derived data and biological assays. The key component of this work is the inclusion of the intrinsic dynamic quality of NMR structures in theoretical models and its use in docking. A new computational protocol is introduced here, designed to dock small molecule ligands to flexible proteins derived from NMR structures. The algorithm makes use of a combination of simulated annealing monte carlo simulations (SA/MC) and a mean field potential informed by the NMR data. The new protocol is illustrated in the context of an ongoing project aimed at developing new selective inhibitors for the PCAF bromodomains that interact with HIV Tat.

Gracia, Luis; Speidel, Joshua A. [Department of Physiology and Biophysics, Weill Medical College of Cornell University, New York NY 10028 (United States); Weinstein, Harel [Department of Physiology and Biophysics, Weill Medical College of Cornell University, New York NY 10028 (United States); HRH Prince Alwaleed Bin Talal Bin Abdulaziz Alsaud Institute for Computational Biomedicine, Weill Medical College of Cornell University, New York NY 10028 (United States)

2006-08-24T23:59:59.000Z

442

Polydispersity analysis of Taylor dispersion data: the cumulant method  

E-Print Network (OSTI)

Taylor dispersion analysis is an increasingly popular characterization method that measures the diffusion coefficient, and hence the hydrodynamic radius, of (bio)polymers, nanoparticles or even small molecules. In this work, we describe an extension to current data analysis schemes that allows size polydispersity to be quantified for an arbitrary sample, thereby significantly enhancing the potentiality of Taylor dispersion analysis. The method is based on a cumulant development similar to that used for the analysis of dynamic light scattering data. Specific challenges posed by the cumulant analysis of Taylor dispersion data are discussed, and practical ways to address them are proposed. We successfully test this new method by analyzing both simulated and experimental data for solutions of moderately polydisperse polymers and polymer mixtures.

Luca Cipelletti; Jean-Philippe Biron; Michel Martin; Hervé Cottet

2014-08-26T23:59:59.000Z

443

Etsuko Fujita  

NLE Websites -- All DOE Office Websites (Extended Search)

Etsuko Fujita Etsuko Fujita Senior Chemist Chemistry Department Building 555 Brookhaven National Laboratory P.O. Box 5000 Upton, NY 11973-5000 Phone: (631) 344-4356 FAX: (631) 344-5815 e-mail Artificial Photosynthesis Group Research Interests Photochemistry of transition-metal complexes, organometallic compounds, and band-gap-narrowed semiconductors, photochemical and electrochemical CO2 reduction and water splitting, small molecule activation, and bio-inspired catalysis for fuel production Education B.S. Ochanomizu University, Japan, March, 1972 Ph.D. Georgia Institute of Technology, December, 1976 Professional Employment Research Associate, Department of Applied Science, Brookhaven National Laboratory, 1976-78 Assistant Chemist 1978-81, Associate Chemist, 1981-84, then Chemistry Associate (1984-86), Department of Applied Science, BNL

444

Structures of the Wild-Type And Activated Catalytic Domains of Brachydanio Rerio Polo-Like Kinase 1 (Plk1): Changes in the Active-Site Conformation And Interactions With Ligands  

SciTech Connect

Polo-like kinase 1 (Plk1) is a member of a family of serine/threonine kinases involved in the regulation of cell-cycle progression and cytokinesis and is an attractive target for the development of anticancer therapeutics. A zebrafish homolog of the human Plk1 (hPlk1) kinase domain (KD) was identified that can be expressed in large quantities in bacteria and crystallizes readily, whether in a wild-type form or as a variant containing the activating Thr196-->Asp substitution, in one space group and under similar conditions both in the absence and presence of active-site compounds. This construct was validated by testing a panel of hPlk1 inhibitors against human and zebrafish proteins and it was shown that the selected small molecules inhibited the homologs with a high degree of correlation. Crystal structures of ligand-free wild-type and activated zebrafish Plk1 (zPlk1) KDs revealed the organization of the secondary structural elements around the active site and demonstrated that the activation segment was disordered in the activated form of the domain but possessed a well defined secondary structure in the wild-type enzyme. The cocrystal structure of wild-type zPlk1 KD with ADP documented the hydrolysis of ATP and revealed the phosphorylation site. The cocrystal structure of the activated KD with wortmannin, a covalent inhibitor of Plk1 and PI3 kinases, showed the binding mode of the small molecule to the enzyme and may facilitate the design of more potent Plk1 inhibitors. The work presented in this study establishes the zPlk1 KD as a useful tool for rapid low- and high-throughput structure-based screening and drug discovery of compounds specific for this mitotic target.

Elling, R.A.; Fucini, R.V.; Romanowski, M.J.

2009-05-18T23:59:59.000Z

445

LEDs  

NLE Websites -- All DOE Office Websites (Extended Search)

Biomedical devices from ultraviolet Biomedical devices from ultraviolet LEDs February 24, 2012 LEDs produce light in the ultraviolet range A process for creating glass-based, inorganic light-emitting diodes (LEDs) that produce light in the ultraviolet range has been developed by a multinational team of scientists. The work, reported in the online Nature Communications, is a step toward biomedical devices with active components made from nanostructured systems. Solution-processed inorganic nanocrystals hold promise LEDs based on solution-processed inorganic nanocrystals have promise for use in environmental and biomedical diagnostics because they are cheap to produce, - 2 - robust, and chemically stable. But development has been hampered by the difficulty of achieving ultraviolet emission. In their paper, LANL's Sergio Brovelli and a research team lead by Alberto Paleari at the

446

Layer-by-Layer Assembly of Sintered CdSexTe1–x Nanocrystal Solar Cells  

Science Journals Connector (OSTI)

solar cell; nanocrystal; CdTe; CdSexTe1?x; layer-by-layer; solution-processed; sintered ... For instance, devices fabricated using cadmium telluride (CdTe) and copper indium gallium selenide (CIGS) based active layers have exhibited laboratory scale power conversion efficiencies up to 17.3%(1) and 20.3%,(2) respectively, at commercial production costs as low as US $0.75/Watt. ... (20) More recently, the graded device concept has been extended to solution-processed organic solar cells, through a series of complementary donor materials(21) and to PbS quantum dot devices, where bandgap grading was accomplished through variation of the QD diameter. ...

Brandon I. MacDonald; Alessandro Martucci; Sergey Rubanov; Scott E. Watkins; Paul Mulvaney; Jacek J. Jasieniak

2012-06-12T23:59:59.000Z

447

STATEMENT OF CONSIDERATIONS REQUEST BY CAMBRIOS TECHNOLOGIES CORPORATION FOR AN  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

CAMBRIOS TECHNOLOGIES CORPORATION FOR AN CAMBRIOS TECHNOLOGIES CORPORATION FOR AN ADVANCE WAIVER OF THE GOVERNMENT'S DOMESTIC AND FOREIGN PATENT RIGHTS UNDER DOE COOPERATNE AGREEMENT DE-EE0003254; DOE WANER NO. W(A)2011-012; CHl593 The Petitioner, Cambrios Technologies Corporation (CAMBRIOS), has requested an Advance Waiver of the Government's domestic and foreign rights to inventions in the above cited research and development cooperative agreement issued by DOE's National Energy Technology Laboratory (NETL). See attached CAMBRIOS' Petition, Answer 1. Subject ofthe R&D Contract Title: Solution Processable Transparent Conductive Hole Injection Electrode for OLEO SSL The purpose ofthe project is to develop a solution processable transparent conducting hole injection (TCHI) electrode for OLEO SSL (Organic Light Emitting Diode-Solid State Lighting)

448

Diffusion dynamics of the Keap1–Cullin3 interaction in single live cells  

SciTech Connect

Highlights: ? We developed a quantitative FRAP-based system to study the Keap1–Cul3 interaction. ? We show that Keap1–EGFP and mCherry–Cul3 interact in single live cells. ? We used inducers which target distinct cysteine sensors of Keap1 and differ 4000-fold in potency. ? Inducers cause Nrf2 stabilization, nuclear translocation, and target gene expression. ? Inducers of four different types do not dissociate the Keap1–EGFP:mCherry–Cul3 complex. -- Abstract: Transcription factor NF-E2 p45-related factor 2 (Nrf2) regulates the expression of a network of genes encoding drug-detoxification, anti-inflammatory, and metabolic enzymes, as well as proteins involved in the regulation of cellular redox homeostasis. Under basal conditions, Kelch-like ECH associated protein 1 (Keap1) targets Nrf2 for ubiquitination and proteasomal degradation via association with Cullin3 (Cul3)-based Rbx1 E3 ubiquitin ligase. Various small molecules (inducers) activate Nrf2 leading to upregulation of cytoprotective gene expression. Inducers chemically modify specific cysteine residues of Keap1 which ultimately loses its ability to target Nrf2 for degradation. Dissociation of the Keap1–Cul3 complex by inducers is one possible mechanism, but evidence in single live cells is lacking. To investigate the diffusion dynamics of the Keap1–Cul3 interaction and the effect of inducers, we developed a quantitative fluorescence recovery after photobleaching (FRAP)-based system using Keap1–EGFP and mCherry–Cul3 fusion proteins. We show that Keap1–EGFP and mCherry–Cul3 interact in single live cells. Exposure for 1 h to small-molecule inducers of 4 different types, the oleanane triterpenoid CDDO, the isothiocyanate sulforaphane, the sulfoxythiocarbamate STCA, and the oxidant hydrogen peroxide which target distinct cysteine sensors within Keap1 with potencies which differ by nearly 4000-fold, does not dissociate the Keap1–Cul3 complex. As inducers cause conformational changes in Keap1, we conclude that changes in conformation rather than dissociation from Cul3 inactivate the repressor function of Keap1 leading to Nrf2 stabilization.

Baird, Liam [Jacqui Wood Cancer Centre, Division of Cancer Research, Medical Research Institute, University of Dundee, Dundee, Scotland (United Kingdom)] [Jacqui Wood Cancer Centre, Division of Cancer Research, Medical Research Institute, University of Dundee, Dundee, Scotland (United Kingdom); Dinkova-Kostova, Albena T., E-mail: a.dinkovakostova@dundee.ac.uk [Jacqui Wood Cancer Centre, Division of Cancer Research, Medical Research Institute, University of Dundee, Dundee, Scotland (United Kingdom); Department of Pharmacology and Molecular Sciences, Johns Hopkins University School of Medicine, Baltimore, MD (United States)

2013-03-29T23:59:59.000Z

449

A New Route to Nano Self-Assembly  

NLE Websites -- All DOE Office Websites (Extended Search)

A New Route to Nano Self-Assembly A New Route to Nano Self-Assembly A New Route to Nano Self-Assembly Print Wednesday, 24 February 2010 00:00 If the promise of nanotechnology is to be fulfilled, nanoparticles will have to be able to make something of themselves. An important advance toward this goal has been achieved by researchers who have found a simple and yet powerfully robust way to induce nanoparticles to assemble themselves into complex arrays. By adding specific types of small molecules to mixtures of nanoparticles and polymers, they were able to direct the self-assembly of the nanoparticles into arrays of one, two, and even three dimensions with no chemical modification of either the nanoparticles or the block copolymers. In addition, the application of external stimuli, such as light and/or heat, can be used to further direct the assemblies of nanoparticles for even finer and more complex structural details, a result verified by small-angle x-ray scattering (SAXS) at the ALS.

450

Charge Transport Anisotropy Due to Grain Boundaries in Directionally  

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Charge Transport Anisotropy Due to Grain Charge Transport Anisotropy Due to Grain Boundaries in Directionally Crystallized Thin Films of Regio-Regular Poly(3-hexylthiophene) Semicrystalline polymers, such as polythiophenes, hold much promise as active layers in printable electronic devices such as photovoltaic cells, sensors, and thin film transistors. As organic semiconductors approach commercialization, there is a need to better understand the relationship between charge transport and microstructure, in particular, to identify the inherent bottlenecks to charge transport. In semicrystalline and polycrystalline materials, charge transport is most likely dominated by grain-boundary effects, although the exact mechanism is not well understood. Unfortunately, grain boundaries in semicrystalline thin films are difficult to characterize: the grains are too small to allow for measurements across individual grain boundaries (as is often done for polycrystalline films of small molecules) and bulk measurements are complicated by the unknown orientation of polymer chains within the grain. To better understand the effect of chain orientation on grain boundaries, we use anisotropic thin films of poly(3-hexylthiophene) (P3HT) - one of the most well-studied polymeric semiconductors, as a tool to study charge transport.

451

Laser Seeding Yields High-Power Coherent Terahertz Radiation  

NLE Websites -- All DOE Office Websites (Extended Search)

Laser Seeding Yields High-Power Coherent Terahertz Radiation Print Laser Seeding Yields High-Power Coherent Terahertz Radiation Print Researchers at Berkeley Lab have been exploring the ways coherent synchrotron radiation (CSR) is generated in electron storage rings when femtosecond lasers are used to carve out ultrafast x-ray pulses by femtoslicing (see "Tailored Terahertz Pulses from a Laser-Modulated Electron Beam"). In their most recent work, the researchers reported the first observation of seeding an instability of the electron beam by the laser, and they presented a physical model that shows how this occurs under the proper conditions. Such a mechanism makes it possible to control the instability onset and to exploit its gain for the generation of pulses of terahertz CSR of unprecedented power. Terahertz radiation with a wavelength from about 1 cm to about 100 microns between the microwave and the infrared would provide access to a large number of fundamental phenomena. To mention only some of them: excited electrons orbit, small molecules rotate, proteins vibrate, superconducting energy gaps resonate, and gaseous and solid-state plasmas oscillate at terahertz frequencies. But generating terahertz radiation is ordinarily a challenging task for any kind of source, including storage-ring-based synchrotron light sources. The new findings by the ALS group could represent a significant step toward satisfying the need for powerful terahertz sources.

452

Photoexcitation of a Volume Plasmon in Buckyballs  

NLE Websites -- All DOE Office Websites (Extended Search)

Photoexcitation of a Volume Plasmon in Buckyballs Print Photoexcitation of a Volume Plasmon in Buckyballs Print For molecules made from a single element, buckyballs (carbon-60) are very large. They mark the transition from atoms to solids. In atoms and small molecules, the behavior of electrons is accounted individually; in bulk materials, a sea of innumerable electrons can behave en masse, yielding a very different description of electronic structure. Buckyballs perch on the cusp between these states, as evidenced by the discovery in the early 1990s that, when subject to excitation energy of about 22 eV, the four valence electrons belonging to each of the 60 carbon atoms in a buckyball, 240 in all, act collectively, resulting in a "surface plasmon." This collective motion is a back-and-forth oscillation of the whole cloud of valence electrons, relative to the effectively rigid cage of carbon cores. Now, the latest results from a U.S.-German collaboration on the electronic structure of photoexcited buckyball ions show an additional resonance near 40 eV, characterized as a volume plasmon made possible by the special fullerene geometry.

453

Gas Phase Moleculer Dynamics (GPMD) Group | Chemistry Department |  

NLE Websites -- All DOE Office Websites (Extended Search)

Research Program Research Program The research within the Gas Phase Molecular Dynamics program spans spectroscopy, kinetics and dynamics, with input from both experiment and theory. The broad topics of recent and current focus are Development of new spectroscopic methods to probe transient molecules of importance to combustion Application of these methods to collisional dynamics and kinetics Theoretical predictions of vibrational spectra of small molecules and radicals Development and use of computational methods in reaction kinetics and dynamics, optimizing accuracy and efficiency to the size of the problem The group has long experience in the application of transient frequency modulation (FM) spectroscopy methods for probing radicals, and using this method for polarized photofragment Doppler spectroscopy and kinetics. More recently, FM applications in double resonance have been developed for spectral simplification and assignments, and for saturation recovery and transfer kinetics to study collisional energy and polarization transfer. Sub-Doppler saturation methods with FM probing have recently been applied to a variety of nuclear hyperfine structure problems in spectroscopy and dynamics. Frequency comb-stabilized diode lasers in the near infrared have been used for highly precise frequency-domain measurements of pressure broadening and line shape studies of collision effects.

454

RAPIDD Gives ALS Users a Faster Path to Beam Time  

NLE Websites -- All DOE Office Websites (Extended Search)

RAPIDD Gives ALS Users a Faster RAPIDD Gives ALS Users a Faster Path to Beam Time RAPIDD Gives ALS Users a Faster Path to Beam Time Print Monday, 28 October 2013 08:31 ALS users are invited to check out our web pages detailing our new RAPIDD proposal process. This combined process for Rapid Access Proposals, Industry, and Director's Discretion beam time accommodates users who require limited but rapid access to the ALS. Proposals may be submitted at any time. RAPIDD complements the existing six-month General User Proposal process, which remains the access mechanism of choice for users who require significant beam time for an extended program of research, or for those wanting to perform complex experiments involving setup or reorganization of equipment at a beamline. The ALS structural biology community has been using RAPIDD for a year, with 160 proposals receiving beam time in that period. As of July 2013, RAPIDD access was extended to beamlines 7.3.3 (SAXS/WAXS), 8.3.2 (microtomography) and 11.3.1 (small molecule crystallography) and to users from industrial groups.

455

Photoexcitation of a Volume Plasmon in Buckyballs  

NLE Websites -- All DOE Office Websites (Extended Search)

Photoexcitation of a Volume Plasmon in Buckyballs Print Photoexcitation of a Volume Plasmon in Buckyballs Print For molecules made from a single element, buckyballs (carbon-60) are very large. They mark the transition from atoms to solids. In atoms and small molecules, the behavior of electrons is accounted individually; in bulk materials, a sea of innumerable electrons can behave en masse, yielding a very different description of electronic structure. Buckyballs perch on the cusp between these states, as evidenced by the discovery in the early 1990s that, when subject to excitation energy of about 22 eV, the four valence electrons belonging to each of the 60 carbon atoms in a buckyball, 240 in all, act collectively, resulting in a "surface plasmon." This collective motion is a back-and-forth oscillation of the whole cloud of valence electrons, relative to the effectively rigid cage of carbon cores. Now, the latest results from a U.S.-German collaboration on the electronic structure of photoexcited buckyball ions show an additional resonance near 40 eV, characterized as a volume plasmon made possible by the special fullerene geometry.

456

Anthrax Lethal Factor  

NLE Websites -- All DOE Office Websites (Extended Search)

Thiang Yian Wong, Robert Schwarzenbacher and Robert C. Liddington Thiang Yian Wong, Robert Schwarzenbacher and Robert C. Liddington The Burnham Institute, 10901 North Torrey Pines Road, La Jolla, CA 92037. Anthrax Toxin is a major virulence factor in the infectious disease, Anthrax1. This toxin is produced by Bacillus anthracis, which is an encapsulated, spore-forming, rod-shaped bacterium. Inhalation anthrax, the most deadly form, is contracted through breathing spores. Once spores germinate within cells of the immune system called macrophages2, bacterial cells are released into the bloodstream. There they proliferate rapidly and secrete Anthrax Toxin, ultimately leading to septic shock and death. Although antibiotics may be used to kill the bacteria, the level of toxin has often become so high in the bloodstream that removing the bacteria alone is not sufficient to prevent death. Therefore, the design of anti-toxins offers the prospect of treatment in the advanced stages of infection. Together with collaborators from the NIH and Harvard Medical School, we are involved in the atomic resolution study of the Anthrax Toxin components and their complexes, including small molecules with therapeutic potential. Data collection at SSRL and other synchrotron radiation sources has been key to the advances made in this research so far and is expected to play a continuing role in the future.

457

Laser Seeding Yields High-Power Coherent Terahertz Radiation  

NLE Websites -- All DOE Office Websites (Extended Search)

Laser Seeding Yields High-Power Coherent Terahertz Radiation Print Laser Seeding Yields High-Power Coherent Terahertz Radiation Print Researchers at Berkeley Lab have been exploring the ways coherent synchrotron radiation (CSR) is generated in electron storage rings when femtosecond lasers are used to carve out ultrafast x-ray pulses by femtoslicing (see "Tailored Terahertz Pulses from a Laser-Modulated Electron Beam"). In their most recent work, the researchers reported the first observation of seeding an instability of the electron beam by the laser, and they presented a physical model that shows how this occurs under the proper conditions. Such a mechanism makes it possible to control the instability onset and to exploit its gain for the generation of pulses of terahertz CSR of unprecedented power. Terahertz radiation with a wavelength from about 1 cm to about 100 microns between the microwave and the infrared would provide access to a large number of fundamental phenomena. To mention only some of them: excited electrons orbit, small molecules rotate, proteins vibrate, superconducting energy gaps resonate, and gaseous and solid-state plasmas oscillate at terahertz frequencies. But generating terahertz radiation is ordinarily a challenging task for any kind of source, including storage-ring-based synchrotron light sources. The new findings by the ALS group could represent a significant step toward satisfying the need for powerful terahertz sources.

458

Photoexcitation of a Volume Plasmon in Buckyballs  

NLE Websites -- All DOE Office Websites (Extended Search)

Photoexcitation of a Volume Plasmon in Buckyballs Print Photoexcitation of a Volume Plasmon in Buckyballs Print For molecules made from a single element, buckyballs (carbon-60) are very large. They mark the transition from atoms to solids. In atoms and small molecules, the behavior of electrons is accounted individually; in bulk materials, a sea of innumerable electrons can behave en masse, yielding a very different description of electronic structure. Buckyballs perch on the cusp between these states, as evidenced by the discovery in the early 1990s that, when subject to excitation energy of about 22 eV, the four valence electrons belonging to each of the 60 carbon atoms in a buckyball, 240 in all, act collectively, resulting in a "surface plasmon." This collective motion is a back-and-forth oscillation of the whole cloud of valence electrons, relative to the effectively rigid cage of carbon cores. Now, the latest results from a U.S.-German collaboration on the electronic structure of photoexcited buckyball ions show an additional resonance near 40 eV, characterized as a volume plasmon made possible by the special fullerene geometry.

459

Photoexcitation of a Volume Plasmon in Buckyballs  

NLE Websites -- All DOE Office Websites (Extended Search)

Photoexcitation of a Volume Photoexcitation of a Volume Plasmon in Buckyballs Photoexcitation of a Volume Plasmon in Buckyballs Print Wednesday, 31 August 2005 00:00 For molecules made from a single element, buckyballs (carbon-60) are very large. They mark the transition from atoms to solids. In atoms and small molecules, the behavior of electrons is accounted individually; in bulk materials, a sea of innumerable electrons can behave en masse, yielding a very different description of electronic structure. Buckyballs perch on the cusp between these states, as evidenced by the discovery in the early 1990s that, when subject to excitation energy of about 22 eV, the four valence electrons belonging to each of the 60 carbon atoms in a buckyball, 240 in all, act collectively, resulting in a "surface plasmon." This collective motion is a back-and-forth oscillation of the whole cloud of valence electrons, relative to the effectively rigid cage of carbon cores. Now, the latest results from a U.S.-German collaboration on the electronic structure of photoexcited buckyball ions show an additional resonance near 40 eV, characterized as a volume plasmon made possible by the special fullerene geometry.

460

A Strategy for Antagonizing Quorum Sensing  

SciTech Connect

Quorum-sensing bacteria communicate via small molecules called autoinducers to coordinate collective behaviors. Because quorum sensing controls virulence factor expression in many clinically relevant pathogens, membrane-permeable quorum sensing antagonists that prevent population-wide expression of virulence genes offer a potential route to novel antibacterial therapeutics. Here, we report a strategy for inhibiting quorum-sensing receptors of the widespread LuxR family. Structure-function studies with natural and synthetic ligands demonstrate that the dimeric LuxR-type transcription factor CviR from Chromobacterium violaceum is potently antagonized by molecules that bind in place of the native acylated homoserine lactone autoinducer, provided that they stabilize a closed conformation. In such conformations, each of the two DNA-binding domains interacts with the ligand-binding domain of the opposing monomer. Consequently, the DNA-binding helices are held apart by {approx}60 {angstrom}, twice the {approx}30 {angstrom} separation required for operator binding. This approach may represent a general strategy for the inhibition of multidomain proteins.

G Chen; L Swem; D Swem; D Stauff; C OLoughlin; P Jeffrey; B Bassler; F Hughson

2011-12-31T23:59:59.000Z

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
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We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


461

Nanoconfined catalytic Ångström-size motors  

E-Print Network (OSTI)

Chemically-powered synthetic micron and nano-scale motors that propel themselves in solution are being intensively studied because of the wide range of potential applications that exploit their directed motion. Recent experiments have shown that, even on the molecular scale, small-molecule catalysts and single enzyme molecules exhibit properties that have been attributed to self-propulsion. Simulations of very small {\\AA}ngstr\\"om-size synthetic motors in bulk solution have shown similar effects. Applications of such small motors in the cell or in microfluidic devices require knowledge of how these motors interact with boundaries. Molecular dynamics is used to investigate the properties of {\\AA}ngstr\\"om-size synthetic chemically-powered motors confined between walls separated by distances of tens of nanometers. Evidence for strong structural ordering of the motors between the walls, which reflects the finite size of solvent molecules and depends on solvent exclusion forces, is provided. Dynamical properties, such as average motor velocity, orientational relaxation and mean square displacement, are anisotropic and depend on the distance from the walls. This research presents information needed for potential applications that use these motors in the complex confined geometries encountered in biology and the laboratory.

Peter H. Colberg; Raymond Kapral

2015-01-13T23:59:59.000Z

462

A fluorescent screening platform for the rapid evaluation of chemicals in cellular reprogramming  

Science Journals Connector (OSTI)

Current strategies to monitor reprogramming into induced pluripotent stem cells (iPSCs) are limited in that they rely on the recognition of advanced stage biomarkers or they involve the transduction of genetically-modified cells. These limitations are particularly problematic in high-throughput screenings where cell availability, low cost and a rapid experimental protocol are critical issues. Herein we report the application of a pluripotent stem cell fluorescent probe (i.e. CDy1) as a reporter for the rapid screening of chemicals in reprogramming iPSCs. \\{CDy1\\} stains early-stage iPSCs at 7 dpi as well as matured iPSCs; hence it can partially overcome the slow kinetics of the reprogramming process. As a proof of concept, we employed a CDy1-based screening in 384 well-plates to examine the effect of newly synthesized hydroxamic acid derivatives in reprogramming mouse fibroblasts transduced with Oct4, Sox2 and Klf-4 without c-Myc. One compound (1–26) was identified as a reprogramming enhancer by 2.5-fold and we confirmed that 1–26 behaves as a histone deacetylase (HDAC) inhibitor. The successful identification of novel small molecules enhancing the generation of iPSCs by means of a rapid and simple protocol demonstrates the suitability of this CDy1-based screening platform for the large scale and high-throughput evaluation of iPSC modulators.

Marc Vendrell; Sung-Jin Park; Yogeswari Chandran; Chi-Lik Ken Lee; Hyung-Ho Ha; Nam-Young Kang; Seong-Wook Yun; Young-Tae Chang

2012-01-01T23:59:59.000Z

463

Biologically Inspired Phosphino Platinum Complexes  

SciTech Connect

Platinum complexes containing phosphino amino acid and amino acid ester ligands, built upon the PPhNR’2 platform, have been synthesized and characterized (PPhNR’2= [1,3-diaza]-5-phenyl phosphacyclohexane, R’=glycine or glycine ester). These complexes were characterized by 31P, 13C, 1H, 195Pt NMR spectroscopy and mass spectrometry. The X-ray crystal structure of one of the complexes, [PtCl2(PPhNGlyester 2)2], is also reported. These biologically inspired ligands have potential use in homogeneous catalysis, with special applications in chiral chemistry and water soluble chemistry. These complexes also provide a foundation upon which larger peptides can be attached, to allow the introduction of enzyme-like features onto small molecule catalysts. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

Jain, Avijita; Helm, Monte L.; Linehan, John C.; DuBois, Daniel L.; Shaw, Wendy J.

2012-08-01T23:59:59.000Z

464

Local drug delivery for enhancing fracture healing in osteoporotic bone  

Science Journals Connector (OSTI)

Abstract Fragility fractures can cause significant morbidity and mortality in patients with osteoporosis and inflict a considerable medical and socioeconomic burden. Moreover, treatment of an osteoporotic fracture is challenging due to the decreased strength of the surrounding bone and suboptimal healing capacity, predisposing both to fixation failure and non-union. Whereas a systemic osteoporosis treatment acts slowly, local release of osteogenic agents in osteoporotic fracture would act rapidly to increase bone strength and quality, as well as to reduce the bone healing period and prevent development of a problematic non-union. The identification of agents with potential to stimulate bone formation and improve implant fixation strength in osteoporotic bone has raised hope for the fast augmentation of osteoporotic fractures. Stimulation of bone formation by local delivery of growth factors is an approach already in clinical use for the treatment of non-unions, and could be utilized for osteoporotic fractures as well. Small molecules have also gained ground as stable and inexpensive compounds to enhance bone formation and tackle osteoporosis. The aim of this paper is to present the state of the art on local drug delivery in osteoporotic fractures. Advantages, disadvantages and underlying molecular mechanisms of different active species for local bone healing in osteoporotic bone are discussed. This review also identifies promising new candidate molecules and innovative approaches for the local drug delivery in osteoporotic bone.

Laura Kyllönen; Matteo D’Este; Mauro Alini; David Eglin

2014-01-01T23:59:59.000Z

465

An Allosteric Inhibitor of the Human Cdc34 Ubiquitin-Conjugating Enzyme  

SciTech Connect

In the ubiquitin-proteasome system (UPS), E2 enzymes mediate the conjugation of ubiquitin to substrates and thereby control protein stability and interactions. The E2 enzyme hCdc34 catalyzes the ubiquitination of hundreds of proteins in conjunction with the cullin-RING (CRL) superfamily of E3 enzymes. We identified a small molecule termed CC0651 that selectively inhibits hCdc34. Structure determination revealed that CC0651 inserts into a cryptic binding pocket on hCdc34 distant from the catalytic site, causing subtle but wholesale displacement of E2 secondary structural elements. CC0651 analogs inhibited proliferation of human cancer cell lines and caused accumulation of the SCF{sup Skp2} substrate p27{sup Kip1}. CC0651 does not affect hCdc34 interactions with E1 or E3 enzymes or the formation of the ubiquitin thioester but instead interferes with the discharge of ubiquitin to acceptor lysine residues. E2 enzymes are thus susceptible to noncatalytic site inhibition and may represent a viable class of drug target in the UPS.

Ceccarelli, Derek F.; Tang, Xiaojing; Pelletier, Benoit; Orlicky, Stephen; Xie, Weilin; Plantevin, Veronique; Neculai, Dante; Chou, Yang-Chieh; Ogunjimi, Abiodun; Al-Hakim, Abdallah; Varelas, Xaralabos; Koszela, Joanna; Wasney, Gregory A.; Vedadi, Masoud; Dhe-Paganon, Sirano; Cox, Sarah; Xu, Shuichan; Lopez-Girona, Antonia; Mercurio, Frank; Wrana, Jeff; Durocher, Daniel; Meloche, Sylvain; Webb, David R.; Tyers, Mike; Sicheri, Frank (Cellgene); (Mount Sinai Hospital); (Edinburgh); (SG); (Montreal)

2011-09-06T23:59:59.000Z

466

Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family  

SciTech Connect

The aspartate biosynthetic pathway provides essential metabolites for many important biological functions, including the production of four essential amino acids. As this critical pathway is only present in plants and microbes, any disruptions will be fatal to these organisms. An early pathway enzyme, L-aspartate-{beta}-semialdehyde dehydrogenase, produces a key intermediate at the first branch point of this pathway. Developing potent and selective inhibitors against several orthologs in the L-aspartate-{beta}-semialdehyde dehydrogenase family can serve as lead compounds for antibiotic development. Kinetic studies of two small molecule fragment libraries have identified inhibitors that show good selectivity against L-aspartate-{beta}-semialdehyde dehydrogenases from two different bacterial species, Streptococcus pneumoniae and Vibrio cholerae, despite the presence of an identical constellation of active site amino acids in this homologous enzyme family. Structural characterization of enzyme-inhibitor complexes have elucidated different modes of binding between these structurally related enzymes. This information provides the basis for a structure-guided approach to the development of more potent and more selective inhibitors.

Pavlovsky, Alexander G.; Liu, Xuying; Faehnle, Christopher R.; Potente, Nina; Viola, Ronald E. (Toledo)

2013-01-31T23:59:59.000Z

467

SSC: A Tool for Constructing Libraries for Systematic Screening of Conformers  

SciTech Connect

Even a relatively small molecule with 10–20 atoms might have a few local minima, which correspond to different conformers. The number of local minima quickly increases with molecular size and the most common algorithms, driven by calculated forces, frequently identify a minimum, which is closest to the initial structure, rather than the most stable conformer. Here we discuss how to perform a systematic search of the conformational space for a chain-like molecule. Our approach is fully automated and a user has control which chemical bonds will be probed and with which increments. Moreover, whole fragments of the molecule, which are adjacent to each selected rotational bond, are rotated in a properly selected cylindrical coordinate system and unchemical hybridizations and some ‘‘clashes’’ between neighboring groups, which are common when standard Z-matrices are used, are avoided. A library of potentially relevant conformers is created with a tool, which we call SSC, denoting Systematic Screening of Conformers. Each member of the library is prescreened at a predefined level of theory and the most promising conformers are identified. Finally, they are further evaluated at a higher level of theory to identify the most stable structures and their physicochemical properties. As an example, we demonstrate the results of this approach for 2'-deoxycytidine.

Ling, Sanliang; Gutowski, Maciej S.

2011-07-15T23:59:59.000Z

468

A self-interaction-free local hybrid functional: Accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvalues  

SciTech Connect

We present and test a new approximation for the exchange-correlation (xc) energy of Kohn-Sham density functional theory. It combines exact exchange with a compatible non-local correlation functional. The functional is by construction free of one-electron self-interaction, respects constraints derived from uniform coordinate scaling, and has the correct asymptotic behavior of the xc energy density. It contains one parameter that is not determined ab initio. We investigate whether it is possible to construct a functional that yields accurate binding energies and affords other advantages, specifically Kohn-Sham eigenvalues that reliably reflect ionization potentials. Tests for a set of atoms and small molecules show that within our local-hybrid form accurate binding energies can be achieved by proper optimization of the free parameter in our functional, along with an improvement in dissociation energy curves and in Kohn-Sham eigenvalues. However, the correspondence of the latter to experimental ionization potentials is not yet satisfactory, and if we choose to optimize their prediction, a rather different value of the functional's parameter is obtained. We put this finding in a larger context by discussing similar observations for other functionals and possible directions for further functional development that our findings suggest.

Schmidt, Tobias; Kümmel, Stephan [Theoretical Physics IV, University of Bayreuth, 95440 Bayreuth (Germany)] [Theoretical Physics IV, University of Bayreuth, 95440 Bayreuth (Germany); Kraisler, Eli; Makmal, Adi; Kronik, Leeor [Department of Materials and Interfaces, Weizmann Institute of Science, Rehovoth 76100 (Israel)] [Department of Materials and Interfaces, Weizmann Institute of Science, Rehovoth 76100 (Israel)

2014-05-14T23:59:59.000Z

469

van der Waals density functionals built upon the electron-gas tradition: Facing the challenge of competing interactions  

SciTech Connect

The theoretical description of sparse matter attracts much interest, in particular for those ground-state properties that can be described by density functional theory. One proposed approach, the van der Waals density functional (vdW-DF) method, rests on strong physical foundations and offers simple yet accurate and robust functionals. A very recent functional within this method called vdW-DF-cx [K. Berland and P. Hyldgaard, Phys. Rev. B 89, 035412 (2014)] stands out in its attempt to use an exchange energy derived from the same plasmon-based theory from which the nonlocal correlation energy was derived. Encouraged by its good performance for solids, layered materials, and aromatic molecules, we apply it to several systems that are characterized by competing interactions. These include the ferroelectric response in PbTiO{sub 3}, the adsorption of small molecules within metal-organic frameworks, the graphite/diamond phase transition, and the adsorption of an aromatic-molecule on the Ag(111) surface. Our results indicate that vdW-DF-cx is overall well suited to tackle these challenging systems. In addition to being a competitive density functional for sparse matter, the vdW-DF-cx construction presents a more robust general-purpose functional that could be applied to a range of materials problems with a variety of competing interactions.

Berland, Kristian [Microtechnology and Nanoscience, MC2, Chalmers University of Technology, SE-412 96 Göteborg (Sweden) [Microtechnology and Nanoscience, MC2, Chalmers University of Technology, SE-412 96 Göteborg (Sweden); Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Arter, Calvin A.; Thonhauser, T. [Department of Physics, Wake Forest University, Winston-Salem, North Carolina 27109 (United States)] [Department of Physics, Wake Forest University, Winston-Salem, North Carolina 27109 (United States); Cooper, Valentino R. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6114 (United States)] [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6114 (United States); Lee, Kyuho [Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States) [Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720 (United States); Lundqvist, Bengt I. [Department of Applied Physics, Chalmers University of Technology, SE-412 96 Göteborg (Sweden)] [Department of Applied Physics, Chalmers University of Technology, SE-412 96 Göteborg (Sweden); Schröder, Elsebeth; Hyldgaard, Per [Microtechnology and Nanoscience, MC2, Chalmers University of Technology, SE-412 96 Göteborg (Sweden)] [Microtechnology and Nanoscience, MC2, Chalmers University of Technology, SE-412 96 Göteborg (Sweden)

2014-05-14T23:59:59.000Z

470

DNA-incorporating nanomaterials in biotechnological applications  

SciTech Connect

The recently developed ability to controllably connect biological and inorganic objects on a molecular scale opens a new page in biomimetic methods with potential applications in biodetection, tissue engineering, targeted therapeutics and drug/gene delivery. Particularly in the biodetection arena, a rapid development of new platforms has largely been stimulated by a spectrum of novel nanomaterials with physical properties that offer efficient, sensitive and inexpensive molecular sensing. Recently, DNA-functionalized nano-objects have emerged as a new class of nanomaterials that can be controllably assembled in predesigned structures. Such DNA-based nanoscale structures might provide a new detection paradigm due to their regulated optical, electrical and magnetic responses, chemical heterogeneity and high local biomolecular concentration. The specific biorecognition DNA and its physical-chemical characteristics allows for an exploitation of DNA-functionalized nanomaterials for sensing of nucleic acids, while a broad tunability of DNA interactions permits extending their use for detection of proteins, small molecules and ions. We discuss the progress that was achieved in the last decade in the exploration of new detection methods based on DNA-incorporating nanomaterials as well as their applications to gene delivery. The comparison between various detection platforms, their sensitivity and selectivity, and specific applications are reviewed.

Stadler, A.; van der Lelie, D.; Chi, C.; Gang, O.

2010-02-01T23:59:59.000Z

471

Indium-tin-oxide-free tris(8-hydroxyquinoline) Al organic light-emitting diodes with 80% enhanced power efficiency  

SciTech Connect

Efficient indium tin oxide (ITO)-free small molecule organic light-emitting diodes (SMOLEDs) with multilayered highly conductive poly(3,4-ethylenedioxy thiophene):poly(styrenesulfonate) (PEDOT:PSS) as the anode are demonstrated. PEDOT:PSS/MoO{sub 3}/N,N'-diphenyl- N,N'-bis(1-naphthylphenyl)-1,1'-biphenyl-4,4'-diamine (NPD)/tris(8-hydroxyquinoline) Al (Alq{sub 3})/4,7-diphenyl-1,10-phenanthroline (BPhen)/LiF/Al SMOLEDs exhibited a peak power efficiency of 3.82 lm/W, 81% higher than that of similar ITO-based SMOLEDs (2.11 lm/W). The improved performance is believed to be due to the higher work function, lower refractive index, and decreased surface roughness of PEDOT:PSS vs ITO, and to Ohmic hole injection from PEDOT:PSS to the NPD layer via the MoO{sub 3} interlayer. The results demonstrate that PEDOT:PSS can substitute ITO in SMOLEDs with strongly improved device performance.

Cai, Min; Xiao, Teng; Liu, Rui; Chen, Ying; Shinar, Ruth; Shinar, Joseph

2011-10-11T23:59:59.000Z

472

Medical imaging systems  

DOE Patents (OSTI)

A medical imaging system provides simultaneous rendering of visible light and fluorescent images. The system may employ dyes in a small-molecule form that remains in a subject's blood stream for several minutes, allowing real-time imaging of the subject's circulatory system superimposed upon a conventional, visible light image of the subject. The system may also employ dyes or other fluorescent substances associated with antibodies, antibody fragments, or ligands that accumulate within a region of diagnostic significance. In one embodiment, the system provides an excitation light source to excite the fluorescent substance and a visible light source for general illumination within the same optical guide that is used to capture images. In another embodiment, the system is configured for use in open surgical procedures by providing an operating area that is closed to ambient light. More broadly, the systems described herein may be used in imaging applications where a visible light image may be usefully supplemented by an image formed from fluorescent emissions from a fluorescent substance that marks areas of functional interest.

Frangioni, John V. (Wayland, MA)

2012-07-24T23:59:59.000Z

473

A survey of factors contributing to accurate theoretical predictions of atomization energies and molecular structures  

Science Journals Connector (OSTI)

High level electronic structure predictions of thermochemicalproperties and molecular structure are capable of accuracy rivaling the very best experimental measurements as a result of rapid advances in hardware software and methodology. Despite the progress real world limitations require practical approaches designed for handling general chemical systems that rely on composite strategies in which a single intractable calculation is replaced by a series of smaller calculations. As typically implemented these approaches produce a final or “best ” estimate that is constructed from one major component fine-tuned by multiple corrections that are assumed to be additive. Though individually much smaller than the original unmanageable computational problem these corrections are nonetheless extremely costly. This study presents a survey of the widely varying magnitude of the most important components contributing to the atomization energies and structures of 106 small molecules. It combines large Gaussian basis sets and coupled cluster theory up to quadruple excitations for all systems. In selected cases the effects of quintuple excitations and/or full configuration interaction were also considered. The availability of reliable experimental data for most of the molecules permits an expanded statistical analysis of the accuracy of the approach. In cases where reliable experimental information is currently unavailable the present results are expected to provide some of the most accurate benchmark values available.

David Feller; Kirk A. Peterson; David A. Dixon

2008-01-01T23:59:59.000Z

474

Reaction product imaging  

SciTech Connect

Over the past few years the author has investigated the photochemistry of small molecules using the photofragment imaging technique. Bond energies, spectroscopy of radicals, dissociation dynamics and branching ratios are examples of information obtained by this technique. Along with extending the technique to the study of bimolecular reactions, efforts to make the technique as quantitative as possible have been the focus of the research effort. To this end, the author has measured the bond energy of the C-H bond in acetylene, branching ratios in the dissociation of HI, the energetics of CH{sub 3}Br, CD{sub 3}Br, C{sub 2}H{sub 5}Br and C{sub 2}H{sub 5}OBr dissociation, and the alignment of the CD{sub 3} fragment from CD{sub 3}I photolysis. In an effort to extend the technique to bimolecular reactions the author has studied the reaction of H with HI and the isotopic exchange reaction between H and D{sub 2}.

Chandler, D.W. [Sandia National Laboratories, Livermore, CA (United States)

1993-12-01T23:59:59.000Z

475

'Complete' measurement of molecular Coulomb-explosions  

SciTech Connect

The multiple ionization and fragmentation of small molecules, e.g. H2, D2, H2O, and CF4, by fast H{sup +}, He{sup +}, and highly charged O{sup q+}-ions was studied utilizing a position- and time-sensitive multi-particle detector. The coincident measurement of the momenta of correlated fragment-ions yields a kinematically complete image of the molecular break-up process. Thereby, apart from relative cross-sections for specific reaction channels, the fragmentation energy as well as angular correlations can be derived for each individual event. Of special interest are 'Coulomb-explosion' processes like H2{yields}H{sup +}+H{sup +} or H2O{yields}H{sup +}+H{sup +}+O{sup n+}. Whereas the H2 and D2 data are in good agreement with a pure Coulomb-explosion model, this model is insufficient to explain the detailed behaviour of more complex systems. In case of H2O better agreement is achieved with ab initio MCSCF-calculations of the intermediate H2O{sup (n+2)+} parent-ion.

Werner, U.; Lutz, H. O. [Fakultaet fuer Physik, Universitaet Bielefeld, Universitaetsstrasse 25, D-33615 Bielefeld (Germany)

1996-02-25T23:59:59.000Z

476

(Chemisorption and reactions studies on well-characterized bimetallic and alloy surfaces)  

SciTech Connect

The authors have investigated the following major areas important to understanding bimetallic and alloy surface chemistry and catalysis: (1) the influence of potassium on the interactions of ethylene and other hydrocarbon species with platinum, (2) the determination of ensemble size requirements for adsorption and reaction on platinum surfaces, (3) the influence of oxygen adatoms on the bonding of nitric oxide to platinum, and (4) the role of the electronic structure of the metal surface in controlling surface chemistry. All of these studies were carried out using surface science techniques on well-characterized metal surfaces. A major effort and a major achievement of work have been to study model systems designed to explain how changes in geometric and electronic structure of metal surfaces affect surface chemistry. Specifically, the influence of potassium and bismuth coadsorption with small molecules on a Pt(111) single crystal surface can be compared to separate electronic effects from those of ensemble size effects. We also report the first measurements of the heat of adsorption of carbon monoxide as a function of Pd film thickness for thin films which have dramatically altered geometric and electronic structure.

Koel, B.E.

1990-01-01T23:59:59.000Z

477

Alkali monolayers on transition metal surfaces: electronic promotion in catalysis  

SciTech Connect

Potassium monolayers on the platinum (111) crystal surface were studied most extensively. Ultraviolet photoelectron spectroscopy showed a large decrease in the work function of the surface when potassium was adsorbed. The heat of desorption of potassium decreased with increasing coverage. Low energy electron diffraction (LEED) showed that potassium forms hexagonal (close packed) overlayer structures. The effects of potassium on the chemisorption of various small molecules on Pt(111) were studied. Oxygen and nitric oxide were readily adsorbed and dissociated by potassium, forming stable potassium-oxide complexes on the surface. Adsorption heat of carbon monoxide on Pt(111) increased with potassium coadsorption. High resolution electron energy loss spectroscopy showed that the carbon-oxygen bond of adsorbed carbon monoxide was weakened by potassium. Adsorption heat of benzene, however, was decreased by coadsorbed potassium. A molecular orbital explanation was given to explain the effects of potassium. CO hydrogenation reactions performed on metal foils showed that the addition of alkali adlayers tends to decrease the overall rate of reaction. Changes in selectivity were noted, shifting the product distribution in favor of higher molecular weight species and from alkanes to alkenes.

Garfunkel, E.

1983-08-01T23:59:59.000Z

478

Hydroxide Degradation Pathways for Substituted Trimethylammonium Cations: A DFT Study  

SciTech Connect

Substituted trimethylammonium cations serve as small molecule analogues for tetherable cations in anion exchange membranes. In turn, these membranes serve as the basis for alkaline membrane fuel cells by allowing facile conduction of hydroxide. As these cations are susceptible to hydroxide attack, they degrade over time and greatly limit the lifetime of the fuel cell. In this research, we performed density functional theory calculations to investigate the degradation pathways of substituted trimethylammonium cations to probe the relative durability of cation tethering strategies in alkyl and aromatic tethers. Our results show that significant changes in calculated energy barriers occur when substitution groups change. Specifically, we have found that, when available, the Hofmann elimination pathway is the most vulnerable pathway for degradation; however, this barrier is also found to depend on the carbon chain length and number of hydrogens susceptible to Hofmann elimination. S{sub N}2 barriers were also investigated for both methyl groups and substitution groups. The reported findings give important insight into potential tethering strategies for trimethylammonium cations in anion exchange membranes.

Long, H.; Kim, K.; Pivovar, B. S.

2012-05-03T23:59:59.000Z

479

Advances in theoretical and physical aspects of spin-spin coupling constants  

Science Journals Connector (OSTI)

Publisher Summary This chapter describes trends of coupling constants on the basis of the concepts commonly used by chemists in the laboratory. With the discovery of nuclear magnetic resonance, four impressive progresses have taken place, both in experimental techniques and in theoretical approaches aimed at understanding the electronic origin of high-resolution nuclear magnetic resonance parameters. The chapter describes the calculation and analysis of spin–spin coupling constants. Intra- and inter-molecular interaction effects on spin–spin coupling constants have also been presented. Ab initio calculations of couplings in small molecules with large basis sets and inclusion of electron correlation effects have reached almost quantitative accuracy. Different types of couplings in different molecular environments have very different computational demands to obtain such accuracy. The use density functional theory (DFT)-based methods for chemical applications have increased exponentially in the past decade and the finite perturbation theory (FPT) approach to calculating the Fermi contact (FC) contribution to different couplings employing a variety of functionals has produced quite promising results. Progress in different experimental techniques helped determine relative signs of coupling constants, which in many cases are now determined routinely. This additional information is a significant improvement in using experimental values to obtain insights into different aspects of molecular electronic structure.

Rubén H. Contreras; Juan E. Peralta; Claudia G. Giribet; Martín C. Ruiz de azúa; Julio C. Facelli

2000-01-01T23:59:59.000Z

480

Evaluation of internal potential distribution and carrier extraction properties of organic solar cells through Kelvin probe and time-of-flight measurements  

SciTech Connect

The carrier extraction property of a prototypical small molecule organic solar cell (OSC) composed of copper phthalocyanine (CuPc), C{sub 60}, and bathocuproine (BCP) was studied on the basis of the internal potential distribution and carrier dynamics in the device. The internal potential distribution in the OSC structure at the interfaces and in the bulk region was determined by the Kelvin probe method. Significant potential gradients were found in the CuPc film on indium tin oxide and in the C{sub 60} film on CuPc, consistent with charge transfer through the contacts. Moreover, surface potential of the BCP layer grew linearly with increasing film thickness with a slope of ca. 35?mV/nm (giant surface potential: GSP), which indicated spontaneous orientation polarization in the film. The potential gradient and GSP significantly changed the built-in potential of the device. Current–voltage and modified time-of-flight measurements revealed that the BCP layer worked as an electron injection and extraction layer despite the wide energy gap. These results were discussed based on the contributions of GSP and the gap states in the BCP layer.

Tanaka, Yuya; Oda, Keisuke; Nakayama, Yasuo [Graduate School of Advanced Integration Science, Chiba University, Chiba 263-8522 (Japan); Noguchi, Yutaka, E-mail: noguchi@meiji.ac.jp; Ishii, Hisao, E-mail: ishii130@faculty.chiba-u.jp [Graduate School of Advanced Integration Science, Chiba University, Chiba 263-8522 (Japan); Center for Frontier Science, Chiba University, Chiba 263-8522 (Japan); Takahashi, Jun-ichi; Tokairin, Hiroshi [Advanced Technology Research Laboratories, Idemitsu Kosan Co., Ltd. Sodegaura 299-0293 (Japan)

2014-09-21T23:59:59.000Z

Note: This page contains sample records for the topic "roll-to-roll solution-processable small-molecule" from the National Library of EnergyBeta (NLEBeta).
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to obtain the most current and comprehensive results.


481

For Stimul-Responsive Polymers with Enhanced Efficiency in Reservoir Recovery Processes  

SciTech Connect

Acrylamide-based hydrophobically modified (HM) polybetaines containing N-butylphenylacrylamide (BPAM) and varying amounts of either sulfobetaine (3-(2-acrylamido-2-methylpropanedimethylammonio)-1-propanesulfonate, AMPDAPS) or carboxybetaine (4-(2-acrylamido-2-methylpropyldimethylammonio) butanoate, AMPDAB) comonomers were synthesized via micellar copolymerization. The terpolymers were characterized via {sup 13}C NMR and UV spectroscopies, classical and dynamic light scattering, and potentiometric titration. The response of aqueous polymer solutions to various external stimuli, including changes in solution pH, electrolyte concentration, and the addition of small molecule surfactants, was investigated using surface tension and rheological measurements. Low charge density terpolymers were found to show greater viscosity enhancement upon the addition of surfactant compared to the high charge density terpolymers. The addition of sodium dodecyl sulfate (SDS) produced the largest maximum in solution viscosity, while N-dodecyl-N,N,N-trimethylammonium bromide (DTAB), N-dodecyl-N,N-dimethylammonio-1-propanesulfonate (SB3-12), and Triton X-100 tended to show reduced viscosity enhancement. In most cases, the high charge density carboxybetaine terpolymer exhibited diminished solution viscosities upon surfactant addition. In our last report, we discussed solution thermodynamic theory that described changes in polymer coil conformation as a function of solution temperature and polymer molecular weight. These polymers contained no ionic charges. In this report, we expand polymer solution theory to account for the electrostatic interactions present in solutions of charged polymers. Polymers with ionic charges are referred to as polyions or polyelectrolytes.

Charles McCormick; Roger Hester

2003-02-28T23:59:59.000Z

482

Surface-activated microtiter-plate microarray for simultaneous CRP quantification and viral antibody detection  

Science Journals Connector (OSTI)

Microarrays are widely used in high-throughput DNA and RNA hybridization tests and recently adopted to protein and small molecule interaction studies in basic research and diagnostics. Parallel detection of serum antibodies and antigens has several potential applications in epidemiologic research, vaccine development, and in the diagnosis of allergies, autoimmunity, and infectious diseases. This study demonstrates an immobilization method for immunoassay-based microarray in conventional 96-well polystyrene plates for a serologic diagnostic method combined with quantitative C-reactive protein (CRP) assay. A synthetic peptide (HIV-1), a recombinant protein (Puumala hantavirus nucleocapsid), and purified virus preparations (Sindbis and adenoviruses) were used as antigens for virus-specific antibody detection and monoclonal anti-CRP antibody for antigen detection. The microarray was based on conventional enzyme immunoassays and densitometry from photographed results. Peptide and recombinant antigens functioned well, while whole virus antigens gave discrepant results in 1 out of 23 samples from the reference method, tested with human sera with various antibody responses. The CRP results were in concordance in the concentration range 0.5–150 mg/L with 2 commercially available CRP assays: ReaScan rapid test (R2 = 0.9975) and Cobas 6000 analyzer (R2 =0.9595). The results indicate that microtiter plates provide a promising platform for further development of microarrays for parallel antibody and antigen detection.

Sari M. Viitala; Anne J. Jääskeläinen; Eira Kelo; Helena Sirola; Kirsi Moilanen; Jukka Suni; Antti Vaheri; Olli Vapalahti; Ale Närvänen

2013-01-01T23:59:59.000Z

483

Concentration fluctuations in miscible polymer blends: Influence of temperature and chain rigidity  

SciTech Connect

In contrast to binary mixtures of small molecule fluids, homogeneous polymer blends exhibit relatively large concentration fluctuations that can strongly affect the transport properties of these complex fluids over wide ranges of temperatures and compositions. The spatial scale and intensity of these compositional fluctuations are studied by applying Kirkwood-Buff theory to model blends of linear semiflexible polymer chains with upper critical solution temperatures. The requisite quantities for determining the Kirkwood-Buff integrals are generated from the lattice cluster theory for the thermodynamics of the blend and from the generalization of the random phase approximation to compressible polymer mixtures. We explore how the scale and intensity of composition fluctuations in binary blends vary with the reduced temperature ? ? (T ? T{sub c})/T (where T{sub c} is the critical temperature) and with the asymmetry in the rigidities of the components. Knowledge of these variations is crucial for understanding the dynamics of materials fabricated from polymer blends, and evidence supporting these expectations is briefly discussed.

Dudowicz, Jacek; Freed, Karl F. [The James Franck Institute and the Department of Chemistry, The University of Chicago, Chicago, Illinois 60637 (United States)] [The James Franck Institute and the Department of Chemistry, The University of Chicago, Chicago, Illinois 60637 (United States); Douglas, Jack F. [The James Franck Institute and the Department of Chemistry, The University of Chicago, Chicago, Illinois 60637 (United States) [The James Franck Institute and the Department of Chemistry, The University of Chicago, Chicago, Illinois 60637 (United States); Materials Science and Engineering Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States)

2014-05-21T23:59:59.000Z

484

Stochastic, real-space, imaginary-time evaluation of third-order Feynman–Goldstone diagrams  

SciTech Connect

A new, alternative set of interpretation rules of Feynman–Goldstone diagrams for many-body perturbation theory is proposed, which translates diagrams into algebraic expressions suitable for direct Monte Carlo integrations. A vertex of a diagram is associated with a Coulomb interaction (rather than a two-electron integral) and an edge with the trace of a Green's function in real space and imaginary time. With these, 12 diagrams of third-order many-body perturbation (MP3) theory are converted into 20-dimensional integrals, which are then evaluated by a Monte Carlo method. It uses redundant walkers for convergence acceleration and a weight function for importance sampling in conjunction with the Metropolis algorithm. The resulting Monte Carlo MP3 method has low-rank polynomial size dependence of the operation cost, a negligible memory cost, and a naturally parallel computational kernel, while reproducing the correct correlation energies of small molecules within a few mE{sub h} after 10{sup 6} Monte Carlo steps.

Willow, Soohaeng Yoo [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801 (United States) [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801 (United States); Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, San 31, Hyojadong, Namgu, Pohang 790-784 (Korea, Republic of); Hirata, So, E-mail: sohirata@illinois.edu [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801 (United States) [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801 (United States); CREST, Japan Science and Technology Agency, Saitama 332-0012 (Japan)

2014-01-14T23:59:59.000Z

485

Design and Performance of a Sensor System for Detection of Multiple Chemicals Using an External Cavity Quantum Cascade Laser  

SciTech Connect

We describe the performance of a sensor system designed for simultaneous detection of multiple chemicals with both broad and narrow absorption features. The sensor system consists of a broadly tunable external cavity quantum cascade laser (ECQCL), multi-pass Herriott cell, and custom low-noise electronics. The ECQCL features a rapid wavelength tuning rate of 2265 cm 1/s (15660 nm/s) over its tuning range of 1150-1270 cm 1 (7.87-8.70 ?m), which permits detection of molecules with broad absorption features and dynamic concentrations, while the 0.2 cm-1 spectral resolution of the ECQCL system allows measurement of small molecules with atmospherically broadened absorption lines. High-speed amplitude modulation and low-noise electronics are used to improve the ECQCL performance for direct absorption measurements. We demonstrate simultaneous detection of Freon-134a (1,1,1,2-tetrafluoroethane), ammonia (NH3), and nitrous oxide (N2O) at low-ppb concentrations in field measurements of atmospheric chemical releases from a point source.

Phillips, Mark C.; Taubman, Matthew S.; Bernacki, Bruce E.; Cannon, Bret D.; Schiffern, John T.; Myers, Tanya L.

2010-01-23T23:59:59.000Z

486

Crystal Structures of SlyA Protein, a Master Virulence Regulator of Salmonella, in Free and DNA-bound States  

SciTech Connect

SlyA is a master virulence regulator that controls the transcription of numerous genes in Salmonella enterica. We present here crystal structures of SlyA by itself and bound to a high-affinity DNA operator sequence in the slyA gene. SlyA interacts with DNA through direct recognition of a guanine base by Arg-65, as well as interactions between conserved Arg-86 and the minor groove and a large network of non-base-specific contacts with the sugar phosphate backbone. Our structures, together with an unpublished structure of SlyA bound to the small molecule effector salicylate (Protein Data Bank code 3DEU), reveal that, unlike many other MarR family proteins, SlyA dissociates from DNA without large conformational changes when bound to this effector. We propose that SlyA and other MarR global regulators rely more on indirect readout of DNA sequence to exert control over many genes, in contrast to proteins (such as OhrR) that recognize a single operator.

Dolan, Kyle T.; Duguid, Erica M.; He, Chuan (UC)

2011-11-17T23:59:59.000Z

487

Air bubble-initiated biofabrication of freestanding, semi-permeable biopolymer membranes in PDMS microfluidics  

Science Journals Connector (OSTI)

Abstract Membrane functionality in microfluidics is critical for sample separation, concentration, compartmentalization, filtration, pumping, gradient generation, gas–liquid exchange, and other processes. Integration of functional membranes in microfluidics, however, is nontrivial. Here, we report a simple approach for biofabricating freestanding, semi-permeable biopolymer membranes in microfluidics, initiated with intentionally trapped air bubbles caught within specifically designed polydimethylsiloxane (PDMS) apertures. Pressure-driven dissipation of air bubbles through the gas permeable PDMS facilitates local and quiescent contact of two oppositely charged polyelectrolyte polysaccharides forming a layered or sandwiched membrane. This polyelectrolyte complex membrane (PECM) is permeable to ions including hydroxyl ions, which further facilitates layer-by-layer assembly of membrane stratum. Assembled membranes that bridge the 40-?m apertures are sufficiently strong to withstand >1 atmosphere hydrostatic pressure. Further, the semi-permeable membranes allow for programmed generation of small molecule gradients while preventing protein efflux. We envision the simplicity of fabrication, which requires no reagents or complicated valving, when coupled with the functional properties of the membrane polysaccharides, will find utility in cell and tissue studies including preclinical drug screening and toxicity analyses.

Xiaolong Luo; Hsuan-Chen Wu; Jordan Betz; Gary W. Rubloff; William E. Bentley

2014-01-01T23:59:59.000Z

488

Effects of sequence changes in the HIV-1 gp41 fusion peptide on CCR5 inhibitor resistance  

SciTech Connect

A rare pathway of HIV-1 resistance to small molecule CCR5 inhibitors such as Vicriviroc (VCV) involves changes solely in the gp41 fusion peptide (FP). Here, we show that the G516V change is critical to VCV resistance in PBMC and TZM-bl cells, although it must be accompanied by either M518V or F519I to have a substantial impact. Modeling VCV inhibition data from the two cell types indicated that G516V allows both double mutants to use VCV-CCR5 complexes for entry. The model further identified F519I as an independent determinant of preference for the unoccupied, high-VCV affinity form of CCR5. From inhibitor-free reversion cultures, we also identified a substitution in the inner domain of gp120, T244A, which appears to counter the resistance phenotype created by the FP substitutions. Examining the interplay of these changes will enhance our understanding of Env complex interactions that influence both HIV-1 entry and resistance to CCR5 inhibitors.

Anastassopoulou, Cleo G.; Ketas, Thomas J. [Department of Microbiology and Immunology, Weill Medical College of Cornell University, 1300 York Avenue, New York, NY 10065 (United States)] [Department of Microbiology and Immunology, Weill Medical College of Cornell University, 1300 York Avenue, New York, NY 10065 (United States); Sanders, Rogier W. [Department of Microbiology and Immunology, Weill Medical College of Cornell University, 1300 York Avenue, New York, NY 10065 (United States) [Department of Microbiology and Immunology, Weill Medical College of Cornell University, 1300 York Avenue, New York, NY 10065 (United States); Laboratory of Experimental Virology, Department of Medical Microbiology, Center for Infection and Immunity Amsterdam (CINIMA), Academic Medical Center of the University of Amsterdam, Amsterdam (Netherlands); Johan Klasse, Per [Department of Microbiology and Immunology, Weill Medical College of Cornell University, 1300 York Avenue, New York, NY 10065 (United States)] [Department of Microbiology and Immunology, Weill Medical College of Cornell University, 1300 York Avenue, New York, NY 10065 (United States); Moore, John P., E-mail: jpm2003@med.cornell.edu [Department of Microbiology and Immunology, Weill Medical College of Cornell University, 1300 York Avenue, New York, NY 10065 (United States)

2012-07-05T23:59:59.000Z

489

Electrochemical surface science twenty years later: Expeditions into the electrocatalysis of reactions at the core of artificial photosynthesis  

Science Journals Connector (OSTI)

Abstract Surface science research fixated on phenomena and processes that transpire at the electrode-electrolyte interface has been pursued in the past. A considerable proportion of the earlier work was on materials and reactions pertinent to the operation of small-molecule fuel cells. The experimental approach integrated a handful of surface-sensitive physical–analytical methods with traditional electrochemical techniques, all harbored in a single environment-controlled electrochemistry-surface science apparatus (EC-SSA); the catalyst samples were typically precious noble metals constituted of well-defined single-crystal surfaces. More recently, attention has been diverted from fuel-to-energy generation to its converse, (solar) energy-to-fuel transformation; e.g., instead of water synthesis (from hydrogen and oxygen) in fuel cells, water decomposition (to hydrogen and oxygen) in artificial photosynthesis. The rigorous surface-science protocols remain unchanged but the experimental capabilities have been expanded by the addition of several characterization techniques, either as EC-SSA components or as stand-alone instruments. The present manuscript describes results selected from on-going studies of earth-abundant electrocatalysts for the reactions that underpin artificial photosynthesis: nickel-molybdenum alloys for the hydrogen evolution reaction, calcium birnessite as a heterogeneous analogue for the oxygen-evolving complex in natural photosynthesis, and single-crystalline copper in relation to the carbon dioxide reduction reaction.

Manuel P. Soriaga; Jack H. Baricuatro; Kyle D. Cummins; Youn-Geun Kim; Fadl H. Saadi; Guofeng Sun; Charles C.L. McCrory; James R. McKone; Jesus M. Velazquez; Ivonne M. Ferrer; Azhar I. Carim; Alnald Javier; Brian Chmielowiec; David C. Lacy; John M. Gregoire; Jean Sanabria-Chinchilla; Xenia Amashukeli; William J. Royea; Bruce S. Brunschwig; John C. Hemminger; Nathan S. Lewis; John L. Stickney

2015-01-01T23:59:59.000Z

490

Investigating the malleability of RNA aptamers  

SciTech Connect

Aptamers are short, single-stranded nucleic acids with structures that frequently change upon ligand binding and are sensitive to the ionic environment. To achieve facile application of aptamers in controlling cellular activities, a better understanding is needed of aptamer ligand binding parameters, structures, intramolecular mobilities and how these structures adapt to different ionic environments with consequent effects on their ligand binding characteristics.The paper discusses the integration of biochemical analysis with NMR spectroscopy and computational modeling to explore the relation between ligand binding and structural malleability of some well-studied aptamers. Several methods for determining aptamer binding affinity and specificity are discussed, including isothermal titration calorimetry, steady state fluorescence of 2-aminopurine substituted aptamers, and dye displacement assays. Also considered are aspects of molecular dynamics simulations specific to aptamers including adding ions and simulating aptamer structure in the absence of ligand when NMR spectroscopy or X-ray crystallography structures of the unoccupied aptamer are not available. We focus specifically on RNA aptamers that bind small molecule ligands as would be applied in sensors or integrated into riboswitches such as to measure the products of metabolic activity.

Ilgu, Muslum; Wang, Tianjiao; Lamm, Monica H.; Nilsen-Hamilton, Marit

2013-03-25T23:59:59.000Z

491

Auger spectrum of a water molecule after single and double core ionization  

SciTech Connect

The high intensity of free electron lasers opens up the possibility to perform single-shot molecule scattering experiments. However, even for small molecules, radiation damage induced by absorption of high intense x-ray radiation is not yet fully understood. One of the striking effects which occurs under intense x-ray illumination is the creation of double core ionized molecules in considerable quantity. To provide insight into this process, we have studied the dynamics of water molecules in single and double core ionized states by means of electronic transition rate calculations and ab initio molecular dynamics (MD) simulations. From the MD trajectories, photoionization and Auger transition rates were computed based on electronic continuum wavefunctions obtained by explicit integration of the coupled radial Schroedinger equations. These rates served to solve the master equations for the populations of the relevant electronic states. To account for the nuclear dynamics during the core hole lifetime, the calculated electron emission spectra for different molecular geometries were incoherently accumulated according to the obtained time-dependent populations, thus neglecting possible interference effects between different decay pathways. We find that, in contrast to the single core ionized water molecule, the nuclear dynamics for the double core ionized water molecule during the core hole lifetime leaves a clear fingerprint in the resulting electron emission spectra. The lifetime of the double core ionized water was found to be significantly shorter than half of the single core hole lifetime.

Inhester, L.; Burmeister, C. F.; Groenhof, G.; Grubmueller, H. [Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, 37077 Goettingen (Germany)

2012-04-14T23:59:59.000Z

492

High-Resolution Infrared and Electron-Diffraction Studies of Trimethylenecyclopropane ([3]-Radialene)  

SciTech Connect

Combined high-resolution spectroscopic, electron-diffraction, and quantum theoretical methods are particularly advantageous for small molecules of high symmetry and can yield accurate structures that reveal subtle effects of electron delocalization on molecular bonds. The smallest of the radialene compounds, trimethylenecyclopropane, [3]-radialene, has been synthesized and examined in the gas phase by these methods. The first high-resolution infrared spectra have been obtained for this molecule of D3h symmetry, leading to an accurate B0 rotational constant value of 0.1378629(8) cm-1, within 0.5% of the value obtained from electronic structure calculations (density functional theory (DFT) B3LYP/cc-pVTZ). This result is employed in an analysis of electron-diffraction data to obtain the rz bond lengths (in Å): C-H = 1.072 (17), C-C = 1.437 (4), and C=C = 1.330 (4). The analysis does not lead to an accurate value of the HCH angle; however, from comparisons of theoretical and experimental angles for similar compounds, the theoretical prediction of 117.5? is believed to be reliable to within 2?. The effect of electron delocalization in radialene is to reduce the single C-C bond length by 0.07 Å compared to that in cyclopropane.

Wright, Corey R.; Holmes, Joshua; Nibler, Joseph W.; Hedberg, Kenneth; White, James D.; Hedberg, Lise; Weber, Alfons; Blake, Thomas A.

2013-05-16T23:59:59.000Z

493

Pseudomonas aeruginosa biofilm: Potential therapeutic targets  

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Abstract Pseudomonas aeruginosa is a gram-negative pathogen that has become an important cause of infection, especially in patients with compromised host defense mechanisms. It is frequently related to nosocomial infections such as pneumonia, urinary tract infections (UTIs) and bacteremia. The biofilm formed by the bacteria allows it to adhere to any surface, living or non-living and thus Pseudomonal infections can involve any part of the body. Further, the adaptive and genetic changes of the micro-organisms within the biofilm make them resistant to all known antimicrobial agents making the Pseudomonal infections complicated and life threatening. Pel, Psl and Alg operons present in P. aeruginosa are responsible for the biosynthesis of extracellular polysaccharide which plays an important role in cell–cell and cell–surface interactions during biofilm formation. Understanding the bacterial virulence which depends on a large number of cell-associated and extracellular factors is essential to know the potential drug targets for future studies. Current novel methods like small molecule based inhibitors, phytochemicals, bacteriophage therapy, photodynamic therapy, antimicrobial peptides, monoclonal antibodies and nanoparticles to curtail the biofilm formed by P. aeruginosa are being discussed in this review.

Garima Sharma; Saloni Rao; Ankiti Bansal; Shweta Dang; Sanjay Gupta; Reema Gabrani

2014-01-01T23:59:59.000Z

494

Structural Plasticity of Malaria Dihydroorotate Dehydrogenase Allows Selective Binding of Diverse Chemical Scaffolds  

SciTech Connect

Malaria remains a major global health burden and current drug therapies are compromised by resistance. Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) was validated as a new drug target through the identification of potent and selective triazolopyrimidine-based DHODH inhibitors with anti-malarial activity in vivo. Here we report x-ray structure determination of PfDHODH bound to three inhibitors from this series, representing the first of the enzyme bound to malaria specific inhibitors. We demonstrate that conformational flexibility results in an unexpected binding mode identifying a new hydrophobic pocket on the enzyme. Importantly this plasticity allows PfDHODH to bind inhibitors from different chemical classes and to accommodate inhibitor modifications during lead optimization, increasing the value of PfDHODH as a drug target. A second discovery, based on small molecule crystallography, is that the triazolopyrimidines populate a resonance form that promotes charge separation. These intrinsic dipoles allow formation of energetically favorable H-bond interactions with the enzyme. The importance of delocalization to binding affinity was supported by site-directed mutagenesis and the demonstration that triazolopyrimidine analogs that lack this intrinsic dipole are inactive. Finally, the PfDHODH-triazolopyrimidine bound structures provide considerable new insight into species-selective inhibitor binding in this enzyme family. Together, these studies will directly impact efforts to exploit PfDHODH for the development of anti-malarial chemotherapy.

Deng, Xiaoyi; Gujjar, Ramesh; El Mazouni, Farah; Kaminsky, Werner; Malmquist, Nicholas A.; Goldsmith, Elizabeth J.; Rathod, Pradipsinh K.; Phillips, Margaret A.; (UWASH); (UTSMC)

2010-01-20T23:59:59.000Z

495

Photoexcitation of a Volume Plasmon in Buckyballs  

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Photoexcitation of a Volume Plasmon in Buckyballs Print Photoexcitation of a Volume Plasmon in Buckyballs Print For molecules made from a single element, buckyballs (carbon-60) are very large. They mark the transition from atoms to solids. In atoms and small molecules, the behavior of electrons is accounted individually; in bulk materials, a sea of innumerable electrons can behave en masse, yielding a very different description of electronic structure. Buckyballs perch on the cusp between these states, as evidenced by the discovery in the early 1990s that, when subject to excitation energy of about 22 eV, the four valence electrons belonging to each of the 60 carbon atoms in a buckyball, 240 in all, act collectively, resulting in a "surface plasmon." This collective motion is a back-and-forth oscillation of the whole cloud of valence electrons, relative to the effectively rigid cage of carbon cores. Now, the latest results from a U.S.-German collaboration on the electronic structure of photoexcited buckyball ions show an additional resonance near 40 eV, characterized as a volume plasmon made possible by the special fullerene geometry.

496

Recombination Study of Combined Halides (Cl, Br, I) Perovskite Solar Cells  

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Recombination Study of Combined Halides (Cl, Br, I) Perovskite Solar Cells ... We report on the preparation of a series of solution-processed perovskite solar cells based on methylammonium (MA) lead halide derivatives, MAPbX3, which show tunable optical properties depending on the nature and ratio of the halides employed (X = Cl, Br, and I). ... These results highlight the crucial role of the charge-recombination processes on the performance of the perovskite solar cells and pave the way for further progress on this field. ...

Belen Suarez; Victoria Gonzalez-Pedro; Teresa S. Ripolles; Rafael S. Sanchez; Luis Otero; Ivan Mora-Sero

2014-04-17T23:59:59.000Z

497

Enhancement of short-circuit current density in polymer bulk heterojunction solar cells comprising plasmonic silver nanowires  

SciTech Connect

We demonstrate that the influence of plasmonic effects based on silver nanowires (Ag NWs) on the characteristics of polymer solar cells (PSCs). The solution-processed Ag NWs are situated at the interface of anode buffer layer and active layer, which could enhance the performance especially the photocurrent of PSCs by scattering, localized surface plasmon resonance, and surface plasmon polaritons. Plasmonic effects are confirmed by the enhancement of extinction spectra, external quantum efficiency, and steady state photoluminescence. Consequently, the short-circuit current density (J{sub sc}) and power conversion efficiency enhance about 24% and 18%, respectively, under AM1.5 illumination when Ag NWs plasmonic nanostructure incorporated into PSCs.

Yang, Yuzhao; Lin, Xiaofeng; Ou, Jiemei; Chen, Xudong, E-mail: cescxd@mail.sysu.edu.cn, E-mail: stszx@mail.sysu.edu.cn, E-mail: chenyj69@mail.sysu.edu.cn [Key Laboratory for Polymeric Composite and Functional Materials of Ministry of Education of China, Sun Yat-sen University, Guangzhou 510275 (China); Qing, Jian; Zhong, Zhenfeng; Zhou, Xiang, E-mail: cescxd@mail.sysu.edu.cn, E-mail: stszx@mail.sysu.edu.cn, E-mail: chenyj69@mail.sysu.edu.cn; Chen, Yujie, E-mail: cescxd@mail.sysu.edu.cn, E-mail: stszx@mail.sysu.edu.cn, E-mail: chenyj69@mail.sysu.edu.cn [State Key Laboratory of Optoelectronic Materials and Technologies, School of Physics and Engineering, Sun Yat-sen University, Guangzhou 510275 (China); Hu, Chenglong [Key Laboratory of Optoelectronic Chemical Materials and Devices of Ministry of Education, Jianghan University, Wuhan 430056 (China)

2014-03-24T23:59:59.000Z

498

Photoinduced Giant Dielectric Constant in Lead Halide Perovskite Solar Cells  

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Perovskite solar cells have emerged as a major topic of research in photovoltaics because of the promising properties of the solution processed, low cost, and high efficiency solar cells for large-scale solar energy production. ... Illumination of the perovskite samples produces a significant increase of charge carrier density in the perovskite layer due to the high extinction coefficient of organic–inorganic lead halide perovskite. ... The effect of electron- and hole-selective contacts in the final cell performance of hybrid lead halide perovskite, CH3NH3PbI3, solar cells has been systematically analyzed by impedance spectroscopy. ...

Emilio J. Juarez-Perez; Rafael S. Sanchez; Laura Badia; Germá Garcia-Belmonte; Yong Soo Kang; Ivan Mora-Sero; Juan Bisquert

2014-06-23T23:59:59.000Z

499

Exciton Generation and Diffusion in Multilayered Organic Solar Cells Designed by Layer-by-Layer Assembly of Poly(p-phenylenevinylene)  

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Exciton Generation and Diffusion in Multilayered Organic Solar Cells Designed by Layer-by-Layer Assembly of Poly(p-phenylenevinylene) ... exciton generation; exciton diffusion; poly(p-phenylenevinylene); layer-by-layer assembly; organic solar cell ... The former solar cells are typically fabricated by solution processes such as spin coating of a blend solution of a conjugated polymer and a fullerene derivative (6) and therefore have attracted much attention because of their suitability for high-throughput production based on the printing and coating techniques (7). ...

Kohji Masuda; Yoshifumi Ikeda; Michihiro Ogawa; Hiroaki Benten; Hideo Ohkita; Shinzaburo Ito

2010-01-04T23:59:59.000Z

500

Bulk Heterojunction versus Diffused Bilayer: The Role of Device Geometry in Solution p-Doped Polymer-Based Solar Cells  

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KPFM images were acquired with a commercial AFM system (Bruker-AXS) MultiMode AFM with a Nanoscope V controller operating in lift mode (typical lift height 20 nm) by using silicon tips with PtIr coating (SCM-PIT) with k ? 3?N?m–1, tip radius ? 20 nm, and resonant frequency ? 80 Khz. ... Lee, K. H.; Schwenn, P. E.; Smith, A. R. G.; Cavaye, H.; Shaw, P. E.; James, M.; Krueger, K. B.; Gentle, I. R.; Meredith, P.; Burn, P. L.Morphology of All-Solution-Processed “Bilayer” Organic Solar Cells Adv. ...

Anna Loiudice; Aurora Rizzo; Mariano Biasiucci; Giuseppe Gigli

2012-07-09T23:59:59.000Z