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Note: This page contains sample records for the topic "antifungal drug molecules" 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.


1

Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

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2

Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

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3

Drug Innovation "Bridging Molecules and Diseases"  

E-Print Network [OSTI]

in the pharmaceutical industry. This focus area wishes to provide a knowledge and expertise platform, which platforms with the pharmaceutical industry are presently organized at three different levels: - Strategic, that allows high-level concerted drug research efforts in the molecular sciences, pharmaceutical sciences

Utrecht, Universiteit

4

Imaging Antifungal Drug Molecules in Action using Soft X-Ray...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

a cell. This use of soft x-ray tomography is now generating considerable interest in the pharmaceutical industry as a potential method for reducing the cost and time it takes to...

5

Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

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6

Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

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7

Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-SeriesFlickr FlickrGuidedCH2MLLCBasicsScience

8

Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsingFun withconfinementEtching. |Endecaheme c-Type|Iltt: FermiSliSANANov, 1.Imaging

9

Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

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10

Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsingFun withconfinementEtching. |Endecaheme c-Type|Iltt: FermiSliSANANov,Imaging

11

Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

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12

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.

13

Leakage and slow allostery limit performance of single drug-sensing aptazyme molecules based  

E-Print Network [OSTI]

strategy, we monitored by single molecule fluorescence resonance energy transfer (FRET) and 2-aminopurine (AP) fluorescence the global conformational dynamics and local base (un)stacking, respectively of the aptazyme. In addition, site-specific AP labeling shows that rapid local theophylline binding to the aptamer

Walter, Nils G.

14

Extracting physical chemistry from mechanics: a new approach to investigate DNA interactions with drugs and proteins in single molecule experiments  

E-Print Network [OSTI]

In this review we focus on the idea of establishing connections between the mechanical properties of DNAligand complexes and the physical chemistry of DNA-ligand interactions. This type of connection is interesting because it opens the possibility of performing a robust characterization of such interactions by using only one experimental technique: single molecule stretching. Furthermore, it also opens new possibilities in comparing results obtained by very different approaches, in special when comparing single molecule techniques to ensemble-averaging techniques. We start the manuscript reviewing important concepts of the DNA mechanics, from the basic mechanical properties to the Worm-Like Chain model. Next we review the basic concepts of the physical chemistry of DNA-ligand interactions, revisiting the most important models used to analyze the binding data and discussing their binding isotherms. Then, we discuss the basic features of the single molecule techniques most used to stretch the DNA-ligand complex...

Rocha, M S

2015-01-01T23:59:59.000Z

15

Soft X-ray tomography of phenotypic switching and the cellular response to antifungal peptoids  

E-Print Network [OSTI]

Soft X-ray tomography of phenotypic switching and the cellular response to antifungal peptoids that circumvent fungal drug- resistance mechanisms. In this work we used soft X-ray tomogra- phy to image of an entire, fully functional biological system, i.e., in the milieu of a cell (8, 10). Recently, soft X-ray

Barron, Annelise E.

16

ATP molecule ATP molecule  

E-Print Network [OSTI]

ATP molecule 9 ATP molecule 8 Autumn 2003 · Vol. 1 No. 2 · inSiDE inSiDE · Vol. 1 No. 2 · Autumn with adenosine 5`-triphosphate (ATP). ATP is the most important energy carrier in cellular metabolism, and each human being produces its own weight in ATP every day. The ATP molecule is shown in Figure 1, where

17

E-Print Network 3.0 - antifungal activity evaluation Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

used. The antifungal... AccessResearch article Candidaemia and antifungal therapy in a French University Hospital: rough trends... the management of at risk patients as well as...

18

E-Print Network 3.0 - antifungal immune response Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Summary: requirements to produce the antifungal response and can provide a guide for the design of compounds... the antifungal activity. Carotenuto et al. hypothesized...

19

E-Print Network 3.0 - antifungal compound produced Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

requirements to produce the antifungal response and can provide a guide for the design of compounds... with this biological activity. Antifungal activity of these compounds...

20

E-Print Network 3.0 - antifungal compounds produced Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

requirements to produce the antifungal response and can provide a guide for the design of compounds... with this biological activity. Antifungal activity of these compounds...

Note: This page contains sample records for the topic "antifungal drug molecules" 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

E-Print Network 3.0 - antifungal compounds enzymatic Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

requirements to produce the antifungal response and can provide a guide for the design of compounds... with this biological activity. Antifungal activity of these compounds...

22

antifungal susceptibility test: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

antifungal susceptibility test First Page Previous Page 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 Next Page Last Page Topic Index 1 Antifungal Testing and...

23

A resorbable polymeric microreservoir device for controlled release drug delivery  

E-Print Network [OSTI]

The method by which a drug is delivered can have a significant effect on the drug's therapeutic efficacy. Pulsatile delivery of certain drugs and molecules (such as hormones) has been shown to more efficacious than continuous ...

Grayson, Amy Catherine Richards, 1975-

2003-01-01T23:59:59.000Z

24

E-Print Network 3.0 - antibiotics antifungal Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

(Foot) Antiparasitic treatments Antiseptics & wound cleansers Anti... Contraceptives Cough, cold & flu Denture pain relief Digestive aids Ear care Eye care Feminine antifungal &...

25

E-Print Network 3.0 - antifungal polygalacturonase-inhibiting...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Search Sample search results for: antifungal polygalacturonase-inhibiting protein Page: << < 1 2 3 4 5 > >> 1 Plant Molecular Biology 53: 357369, 2003. 2003 Kluwer Academic...

26

Molecules Frozen Stiff | EMSL  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Molecules Frozen Stiff Molecules Frozen Stiff Cryogenic NMR, theory help prove validity of photosynthesis model Scientists at EMSL are using cryogenic NMR equipment and theory to...

27

E-Print Network 3.0 - antifungal surveillance program Sample...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

interest in using the budding yeast... the discovery of new chemical entities with broad-spectrum antifungal activity.15 Prior to the 1970s... there was little or no demand...

28

E-Print Network 3.0 - antifungal susceptibilities varieties Sample...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Page 1 of 9 Summary: AccessResearch article Candidaemia and antifungal therapy in a French University Hospital: rough trends... the management of at risk patients as well as...

29

E-Print Network 3.0 - anti-fungal drug design Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Pg. 1: Eligible Expenses & Documentation Pg. 2: Over-The-Counter Changes due to Health Care Reform Summary: Allergy & sinus medicines and products Feminine anti-fungalanti-itch...

30

Optothermal Molecule Trap  

E-Print Network [OSTI]

Thermophoresis moves molecules along temperature gradients, typically from hot to cold. We superpose fluid flow with thermophoretic molecule flow under well defined microfluidic conditions, imaged by fluorescence microscopy. DNA is trapped and accumulated 16-fold in regions where both flows move in opposite directions. Strong 800-fold accumulation is expected, however with slow trapping kinetics. The experiment is equally described by a three-dimensional and one-dimensional analytical model. As an application, we show how a radially converging temperature field confines short DNA into a 10 um small spot.

Duhr, S; Duhr, Stefan; Braun, Dieter

2006-01-01T23:59:59.000Z

31

Molecule Nanoweaver Improves Drug Delivery and Treatment Efficacy - Energy  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: VegetationEquipment SurfacesResource ProgramModification andinterface of water.

32

Assessment of the activity of antifungal proteins against grain mold in sorghum caryopses in the field  

E-Print Network [OSTI]

and Chandrashekar 1992, Damettyetal 1993, Seetharamanetal 1996). Chitinases Chitinases have been studied more intensely than any other AFP. They hydrolyze polymers of B-1, 4 acetylglucosamine, chitin, which is unknown in higher plants but is a major component... concentrations at 30 DAA. In Halfway (low mold environment) antifungal proteins (AFP) levels did not decrease from 30 to 50 DAA while they did in CS (with moderate to high mold pressure), suggesting AFP accumulation was affected by mold incidence...

Bueso Ucles, Francisco Javier

1997-01-01T23:59:59.000Z

33

29Counting Atoms in a Molecule The complex molecule Propanal  

E-Print Network [OSTI]

29Counting Atoms in a Molecule The complex molecule Propanal was discovered in a dense interstellar is the ratio of carbon atoms to hydrogen atoms in propanal? Problem 4 - If the mass of a hydrogen atom of a propanal molecule in AMUs? Problem 5 - What is the complete chemical formula for propanal? C3 H __ O

34

Counterion Effects on Nano-confined Metal-Drug-DNA Complexes  

E-Print Network [OSTI]

We have explored morphology of DNA molecules bound with Cu-complexes of piroxicam molecules, a non-steroidal anti-inflammatory drug (NSAID), under one-dimensional confinement of thin films and have studied the effect of counterions present in a buffer. X-ray reflectivity at and away from the Cu K absorption edge and atomic force microscopy studies reveal that confinement segregates the drug molecules preferentially in a top layer of the DNA film, and counterions enhance this segregation.

Nupur Biswas; Sreeja Chakraborty; Alokmay Datta; Munna Sarkar; Mrinmay K. Mukhopadhyay; Mrinal K. Bera; Hideki Seto

2014-04-05T23:59:59.000Z

35

Cool Magnetic Molecules  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation Proposed New SubstationCleanCommunity2Workshops01ControllingControlsCool Magnetic Molecules

36

Drug Retention Times  

SciTech Connect (OSTI)

The purpose of this monograph is to provide information on drug retention times in the human body. The information provided is based on plausible illegal drug use activities that might be engaged in by a recreational drug user

Center for Human Reliability Studies

2007-05-01T23:59:59.000Z

37

Drug Retention Times  

SciTech Connect (OSTI)

The purpose of this monograph is to provide information on drug retention times in the human body. The information provided is based on plausible illegal drug use activities that might be engaged in by a recreational drug user.

Center for Human Reliability Studies

2007-05-01T23:59:59.000Z

38

Photonic Molecules and Spectral Engineering  

E-Print Network [OSTI]

This chapter reviews the fundamental optical properties and applications of photonic molecules (PMs) – photonic structures formed by electromagnetic coupling of two or more optical microcavities (photonic atoms). Controllable ...

Boriskina, Svetlana V.

2010-01-01T23:59:59.000Z

39

Single molecule tracking  

DOE Patents [OSTI]

A detection system is provided for identifying individual particles or molecules having characteristic emission in a flow train of the particles in a flow cell. A position sensitive sensor is located adjacent the flow cell in a position effective to detect the emissions from the particles within the flow cell and to assign spatial and temporal coordinates for the detected emissions. A computer is then enabled to predict spatial and temporal coordinates for the particle in the flow train as a function of a first detected emission. Comparison hardware or software then compares subsequent detected spatial and temporal coordinates with the predicted spatial and temporal coordinates to determine whether subsequently detected emissions originate from a particle in the train of particles. In one embodiment, the particles include fluorescent dyes which are excited to fluoresce a spectrum characteristic of the particular particle. Photons are emitted adjacent at least one microchannel plate sensor to enable spatial and temporal coordinates to be assigned. The effect of comparing detected coordinates with predicted coordinates is to define a moving sample volume which effectively precludes the effects of background emissions. 3 figs.

Shera, E.B.

1987-10-07T23:59:59.000Z

40

Single molecule tracking  

DOE Patents [OSTI]

A detection system is provided for identifying individual particles or molecules having characteristic emission in a flow train of the particles in a flow cell. A position sensitive sensor is located adjacent the flow cell in a position effective to detect the emissions from the particles within the flow cell and to assign spatial and temporal coordinates for the detected emissions. A computer is then enabled to predict spatial and temporal coordinates for the particle in the flow train as a function of a first detected emission. Comparison hardware or software then compares subsequent detected spatial and temporal coordinates with the predicted spatial and temporal coordinates to determine whether subsequently detected emissions originate from a particle in the train of particles. In one embodiment, the particles include fluorescent dyes which are excited to fluoresce a spectrum characteristic of the particular particle. Photones are emitted adjacent at least one microchannel plate sensor to enable spatial and temporal coordinates to be assigned. The effect of comparing detected coordinates with predicted coordinates is to define a moving sample volume which effectively precludes the effects of background emissions.

Shera, E. Brooks (Los Alamos, NM)

1988-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "antifungal drug molecules" 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

Thread bonds in molecules  

E-Print Network [OSTI]

Unusual chemical bonds are proposed. Each bond is almost covalent but is characterized by the thread of a small radius $\\sim 0.6\\times 10^{-11}$cm, between two nuclei in a molecule. The main electron density is concentrated outside the thread as in a covalent bond. The thread is formed by the electron wave function which has a tendency to be singular on it. The singularity along the thread is cut off by electron "vibrations" due to the interaction with zero point electromagnetic oscillations. The electron energy has its typical value of (1-10)eV. Due to the small tread radius the uncertainty of the electron momentum inside the thread is large resulting in a large electron kinetic energy $\\sim 1 MeV$. This energy is compensated by formation of a potential well due to the reduction of the energy of electromagnetic zero point oscillations. This is similar to formation of a negative van der Waals potential. Thread bonds are stable and cannot be created or destructed in chemical or optical processes.

Ivlev, B

2015-01-01T23:59:59.000Z

42

Oral Drug Absorption  

E-Print Network [OSTI]

properties ? membrane permeability ? metabolic stability ? enzyme inhibition or induction ? protein binding ? transporter affinity ?. Chemical Optimization DDS technology 4 Strategy of Drug Delivery Absorption Distribution Metabolism Excretion Improve of drug... absorption absorption enhancement controlled releasecontrolled release new administration route Drug targeting to the tissue to the cell to the organelle Dr. Shinji Yamashita (Setsunan University) Issue: Oral Drug Absorption Dr. Valentino J. Stella...

Yamashita, Shinji

2006-10-26T23:59:59.000Z

43

Controlling molecules with lasers and lasers with molecules  

E-Print Network [OSTI]

I investigate quantum control of spin in molecules using shaped ultrafast lasers and the dynamics of those lasers when their cavities are modified to include programmable molecular masks. The ability to control quantum ...

Taylor, Jason Matthew, 1977-

2007-01-01T23:59:59.000Z

44

Systems level characterizations of single and combination drug mechanisms of action in vitro and in vivo  

E-Print Network [OSTI]

Small molecule characterization is a critical limiting step in cancer drug development. At the present time, high throughput screens of natural products and combinatorial synthesis libraries generate more pharmaceutical ...

Pritchard, Justin (Justin Robert)

2012-01-01T23:59:59.000Z

45

High Throughput Single Molecule Investigation of Transcription  

E-Print Network [OSTI]

Single Molecule Protein Folding in a Coaxial Mixer. Biophys.Kinetic Studies of Protein Folding. Anal. Chem. 76, 7169-Molecule Measurement of Protein Folding Kinetics . Science

Kim, Soohong

2012-01-01T23:59:59.000Z

46

Molecular Fragment Mining for Drug Discovery Christian Borgelt1  

E-Print Network [OSTI]

Molecular Fragment Mining for Drug Discovery Christian Borgelt1 , Michael R. Berthold2 , and David will be active or inactive, so that future chemical tests can be focused on the most promis- ing candidates that discriminate between active and inactive molecules. In this paper we review this approach as well as two

Berthold, Michael R.

47

REVIEWS Drug Discovery Today Volume 12, Numbers 1/2 January 2007 Drug-target identification in Drosophila  

E-Print Network [OSTI]

the combination of RNAi and small-molecule HTS can lead to effective identification of targets in drug discovery studies over the years has relied on the ease of growing this organism and the powerful genetic tools such as the insulin, epidermal growth factor, transforming growth factor b, Wnt, Hedgehog, JAK/STAT and Notch pathways

Perrimon, Norbert

48

1Fractions and Chemistry Because molecules and  

E-Print Network [OSTI]

1Fractions and Chemistry Because molecules and atoms come in 'integer' packages, the ratios of gasoline (ethane) are combined with 7 molecules of oxygen you get 4 molecules of carbon dioxide and 6;1 Answer Key Problem 1 - What makes your car go: When 2 molecules of gasoline (ethane) are combined with 7

49

Building a Molecule Building Structures in Moe  

E-Print Network [OSTI]

14 Chapter 3 Building a Molecule #12;15 Building Structures in Moe Dorzolamide Exercise 1 #12;16 Open the Molecule Builder · Open the Molecule Builder panel using MOE | Edit | Build | Molecule, the chiral center will be either R or S, and one of the two will be highlighted in green. The green

Fischer, Wolfgang

50

Single molecule fluorescence (the basics)  

E-Print Network [OSTI]

"on" excitation Inter-system crossing #12;Broad separation: In-vitro approach - useful in Molecular ­ Molecular freedom of motion ­ Enzymatic activity ­ Reaction kinetics ­ Conformational dynamics · Microscopy ·is surrounded by 109 other molecules in 1 µm3 volume needs photon counting ! minimize excitation

Ritort, Felix

51

Drug Discovery Today Volume 11, Numbers 19/20 October 2006 REVIEWS Is the oral route possible for peptide and  

E-Print Network [OSTI]

small hydro- philic molecules that can fit in these spaces [7]. In the case of one of the most widely. Unlike conventional small molecular drugs, clinical development of these types of drug to be actively transported across the epithelial lining of the small intestine in membrane-bound vesicles after

Peppas, Nicholas A.

52

THREE-CLUSTER NUCLEAR MOLECULES  

E-Print Network [OSTI]

A three-center phenomenological model able to explain, at least from a qualitative point of view, the difference in the observed yield of a particle-accompanied fission and that of binary fission was developed. It is derived from the liquid drop model under the assumption that the aligned configuration, with the emitted particle between the light and heavy fragment is obtained by increasing continuously the separation distance, while the radii of the light fragment and of the light particle are kept constant. During the first stage of the deformation one has a two-center evolution until the neck radius becomes equal to the radius of the emitted particle. Then the three center starts developing by decreasing with the same amount the two tip distances. In such a way a second minimum, typical for a cluster molecule, appears in the deformation energy. Examples are presented for 240 Pu parent nucleus emitting ?-particles and 14 C in a ternary process. 1

D. N. Poenaru; B. Dobrescu; W. Greiner

2000-01-01T23:59:59.000Z

53

Synthetic Studies of Iriomoteolide-1A Total Synthesis of Alotaketal A and an Antifungal O-Hydroxy-P-Quinone Methide Diterpenoid  

E-Print Network [OSTI]

nuclear PKA signaling in living cells. Our synthetic efforts toward the unnamed quinone methide diterpenoid 1.67 led to the first total synthesis of this potent antifungal product (MIC = 0.19 µM). Our total synthesis was highlighted by a Stille coupling...

Huang, Jinhua

2013-11-07T23:59:59.000Z

54

Structural and functional studies of a phosphatidic acid-binding antifungal plant defensin MtDef4: Identification of an RGFRRR motif governing fungal cell entry  

SciTech Connect (OSTI)

A highly conserved plant defensin MtDef4 potently inhibits the growth of a filamentous fungus Fusarium graminearum. MtDef4 is internalized by cells of F. graminearum. To determine its mechanism of fungal cell entry and antifungal action, NMR solution structure of MtDef4 has been determined. The analysis of its structure has revealed a positively charged patch on the surface of the protein consisting of arginine residues in its ?-core signature, a major determinant of the antifungal activity of MtDef4. Here, we report functional analysis of the RGFRRR motif of the ?-core signature of MtDef4. The replacement of RGFRRR to AAAARR or to RGFRAA not only abolishes fungal cell entry but also results in loss of the antifungal activity of MtDef4. MtDef4 binds strongly to phosphatidic acid (PA), a precursor for the biosynthesis of membrane phospholipids and a signaling lipid known to recruit cytosolic proteins to membranes. Mutations of RGFRRR which abolish fungal cell entry of MtDef4 also impair its binding to PA. Our results suggest that RGFRRR motif is a translocation signal for entry of MtDef4 into fungal cells and that this positively charged motif likely mediates interaction of this defensin with PA as part of its antifungal action.

Sagaram, Uma S.; El-Mounadi, Kaoutar; Buchko, Garry W.; Berg, Howard R.; Kaur, Jagdeep; Pandurangi, Raghoottama; Smith, Thomas J.; Shah, Dilip

2013-12-04T23:59:59.000Z

55

NMR studies of oriented molecules  

SciTech Connect (OSTI)

Deuterium and proton magnetic resonance are used in experiments on a number of compounds which either form liquid crystal mesophases themselves or are dissolved in a liquid crystal solvent. Proton multiple quantum NMR is used to simplify complicated spectra. The theory of nonselective multiple quantum NMR is briefly reviewed. Benzene dissolved in a liquid crystal are used to demonstrate several outcomes of the theory. Experimental studies include proton and deuterium single quantum (..delta..M = +-1) and proton multiple quantum spectra of several molecules which contain the biphenyl moiety. 4-Cyano-4'-n-pentyl-d/sub 11/-biphenyl (5CB-d/sub 11/) is studied as a pure compound in the nematic phase. The obtained chain order parameters and dipolar couplings agree closely with previous results. Models for the effective symmetry of the biphenyl group in 5CB-d/sub 11/ are tested against the experimental spectra. The dihedral angle, defined by the planes containing the rings of the biphenyl group, is found to be 30 +- 2/sup 0/ for 5DB-d/sub 11/. Experiments are also described for 4,4'-d/sub 2/-biphenyl, 4,4' - dibromo-biphenyl, and unsubstituted biphenyl.

Sinton, S.W.

1981-11-01T23:59:59.000Z

56

The effect of multiply reflected molecules in free molecule flow over a general body  

E-Print Network [OSTI]

A method was devised and calculations were performed to determine the effects of reflected molecules on the aerodynamic force and moment coefficients for a body in free molecule flow. A procedure was developed for determining the velocity...

Powell, Gordon Lee

1993-01-01T23:59:59.000Z

57

Attachment of second harmonic-active moiety to molecules for detection of molecules at interfaces  

DOE Patents [OSTI]

This invention provides methods of detecting molecules at an interface, which comprise labeling the molecules with a second harmonic-active moiety and detecting the labeled molecules at the interface using a surface selective technique. The invention also provides methods for detecting a molecule in a medium and for determining the orientation of a molecular species within a planar surface using a second harmonic-active moiety and a surface selective technique.

Salafsky, Joshua S.; Eisenthal, Kenneth B.

2005-10-11T23:59:59.000Z

58

Electron Correlation Effects in Molecules Krishnan Raghavachari*  

E-Print Network [OSTI]

Technologies, Murray Hill, New Jersey 07974 James B. Anderson* Department of Chemistry, The PennsylVania State for the accurate treatment of the structures and energies of molecules. In this review, we give brief and somewhat of the structures and energies of molecules from first principles has long been a primary goal of quantum chemistry

Anderson, James B.

59

Susanta Kumar Sarkar Single Molecule Biophysics Laboratory  

E-Print Network [OSTI]

Susanta Kumar Sarkar Single Molecule Biophysics Laboratory Department of Physics 1523 Illinois. 1994 ­ 1995 National Scholarship. Government of India. PUBLICATIONS 1. Susanta K. Sarkar, Ambika Bumb/711702 (2012). 2. Susanta K. Sarkar, Ambika Bumb, Maria Mills, and Keir C. Neuman. Single-Molecule Fluorescence

60

Single Molecule Spectroscopy of Electron Transfer  

SciTech Connect (OSTI)

The objectives of this research are threefold: (1) to develop methods for the study electron transfer processes at the single molecule level, (2) to develop a series of modifiable and structurally well defined molecular and nanoparticle systems suitable for detailed single molecule/particle and bulk spectroscopic investigation, (3) to relate experiment to theory in order to elucidate the dependence of electron transfer processes on molecular and electronic structure, coupling and reorganization energies. We have begun the systematic development of single molecule spectroscopy (SMS) of electron transfer and summaries of recent studies are shown. There is a tremendous need for experiments designed to probe the discrete electronic and molecular dynamic fluctuations of single molecules near electrodes and at nanoparticle surfaces. Single molecule spectroscopy (SMS) has emerged as a powerful method to measure properties of individual molecules which would normally be obscured in ensemble-averaged measurement. Fluctuations in the fluorescence time trajectories contain detailed molecular level statistical and dynamical information of the system. The full distribution of a molecular property is revealed in the stochastic fluctuations, giving information about the range of possible behaviors that lead to the ensemble average. In the case of electron transfer, this level of understanding is particularly important to the field of molecular and nanoscale electronics: from a device-design standpoint, understanding and controlling this picture of the overall range of possible behaviors will likely prove to be as important as designing ia the ideal behavior of any given molecule.

Michael Holman; Ling Zang; Ruchuan Liu; David M. Adams

2009-10-20T23:59:59.000Z

Note: This page contains sample records for the topic "antifungal drug molecules" 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

Soft-Template-Synthesized Mesoporous Carbon for Oral Drug Delivery  

SciTech Connect (OSTI)

Template-synthesized mesoporous carbons were successfully used in in vitro investigations of controlled delivery of three model drugs, captopril, furosemide, and ranitidine hydrochloride. Captopril and furosemide exhibited desorption kinetics over 30 40 h, and ranitidine HCl had a complete release time of 5 10 h. As evident from the slow release kinetics, we contend that our mesoporous carbon is an improved drug-delivery medium compared to state-of-the-art porous silica-based substrates. The mesoporous carbons, synthesized from phloroglucinol and lignin, a synthetic and a sustainable precursor, respectively, exhibit BET surface area of 200 400 m2 g-1 and pore volume of 0.2 0.6 cm3 g-1. The phloroglucinol-based carbon has narrower pore widths and higher pore volume than the lignin-derived counterpart and maintains a longer release time. Numerical modeling of the release kinetics data reveals that the diffusivities of all the drugs from lignin-based carbon media are of equivalent magnitude (10-22 to 10-24 m2 s-1). However, a tailored reduction of pore width in the sorbent reduces the diffusivity of smaller drug molecules (captopril) by an order of magnitude. Thus, engineered pore morphology in our synthesized carbon sorbent, along with its potential to tailor the chemistry of its interaction with sorbet, can be exploited for optimal delivery system of a preferred drug within its therapeutic level and below the level of toxicity.

Saha, Dipendu [ORNL] [ORNL; Warren, Kaitlyn E [ORNL] [ORNL; Naskar, Amit K [ORNL] [ORNL

2014-01-01T23:59:59.000Z

62

Sisyphus Cooling of Electrically Trapped Polyatomic Molecules  

E-Print Network [OSTI]

The rich internal structure and long-range dipole-dipole interactions establish polar molecules as unique instruments for quantum-controlled applications and fundamental investigations. Their potential fully unfolds at ultracold temperatures, where a plethora of effects is predicted in many-body physics, quantum information science, ultracold chemistry, and physics beyond the standard model. These objectives have inspired the development of a wide range of methods to produce cold molecular ensembles. However, cooling polyatomic molecules to ultracold temperatures has until now seemed intractable. Here we report on the experimental realization of opto-electrical cooling, a paradigm-changing cooling and accumulation method for polar molecules. Its key attribute is the removal of a large fraction of a molecule's kinetic energy in each step of the cooling cycle via a Sisyphus effect, allowing cooling with only few dissipative decay processes. We demonstrate its potential by reducing the temperature of about 10^6 ...

Zeppenfeld, M; Glöckner, R; Prehn, A; Mielenz, M; Sommer, C; van Buuren, L D; Motsch, M; Rempe, G

2012-01-01T23:59:59.000Z

63

Phases of Atom-Molecule Vortex Matter  

SciTech Connect (OSTI)

We study ground state vortex configurations in a rotating atom-molecule Bose-Einstein condensate. It is found that the coherent coupling between the atomic and molecular condensates can render a pairing of atomic and molecular vortices into a composite structure that resembles a carbon dioxide molecule. Structural phase transitions of vortex lattices are also explored through different physical parameters including the rotational frequency of the system.

Woo, S. J.; Bigelow, N. P. [Department of Physics and Astronomy, University of Rochester, Rochester, New York (United States); Park, Q-Han [Department of Physics, Korea University, Seoul (Korea, Republic of)

2008-03-28T23:59:59.000Z

64

Recovery of tritium from tritiated molecules  

DOE Patents [OSTI]

This invention relates to the recovery of tritium from various tritiated molecules by reaction with uranium. More particularly, the invention relates to the recovery of tritium from tritiated molecules by reaction with uranium wherein the reaction is conducted in a reactor which permits the reaction to occur as a moving front reaction from the point where the tritium enters the reactor charged with uranium down the reactor until the uranium is exhausted.

Swansiger, W.A.

1984-10-17T23:59:59.000Z

65

Sol-gel method for encapsulating molecules  

DOE Patents [OSTI]

A method for encapsulating organic molecules, and in particular, biomolecules using sol-gel chemistry. A silica sol is prepared from an aqueous alkali metal silicate solution, such as a mixture of silicon dioxide and sodium or potassium oxide in water. The pH is adjusted to a suitably low value to stabilize the sol by minimizing the rate of siloxane condensation, thereby allowing storage stability of the sol prior to gelation. The organic molecules, generally in solution, is then added with the organic molecules being encapsulated in the sol matrix. After aging, either a thin film can be prepared or a gel can be formed with the encapsulated molecules. Depending upon the acid used, pH, and other processing conditions, the gelation time can be from one minute up to several days. In the method of the present invention, no alcohols are generated as by-products during the sol-gel and encapsulation steps. The organic molecules can be added at any desired pH value, where the pH value is generally chosen to achieve the desired reactivity of the organic molecules. The method of the present invention thereby presents a sufficiently mild encapsulation method to retain a significant portion of the activity of the biomolecules, compared with the activity of the biomolecules in free solution.

Brinker, C. Jeffrey (Albuquerque, NM); Ashley, Carol S. (Albuquerque, NM); Bhatia, Rimple (Albuquerque, NM); Singh, Anup K. (San Francisco, CA)

2002-01-01T23:59:59.000Z

66

The reaction dynamics of alkali dimer molecules and electronically excited alkali atoms with simple molecules  

SciTech Connect (OSTI)

This dissertation presents the results from the crossed molecular beam studies on the dynamics of bimolecular collisions in the gas phase. The primary subjects include the interactions of alkali dimer molecules with simple molecules, and the inelastic scattering of electronically excited alkali atoms with O{sub 2}. The reaction of the sodium dimers with oxygen molecules is described in Chapter 2. Two reaction pathways were observed for this four-center molecule-molecule reaction, i.e. the formations of NaO{sub 2} + Na and NaO + NaO. NaO{sub 2} products exhibit a very anisotropic angular distribution, indicating a direct spectator stripping mechanism for this reaction channel. The NaO formation follows the bond breaking of O{sub 2}, which is likely a result of a charge transfer from Na{sub 2} to the excited state orbital of O{sub 2}{sup {minus}}. The scattering of sodium dimers from ammonium and methanol produced novel molecules, NaNH{sub 3} and Na(CH{sub 3}OH), respectively. These experimental observations, as well as the discussions on the reaction dynamics and the chemical bonding within these molecules, will be presented in Chapter 3. The lower limits for the bond dissociation energies of these molecules are also obtained. Finally, Chapter 4 describes the energy transfer between oxygen molecules and electronically excited sodium atoms.

Hou, H. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry]|[Lawrence Berkeley National Lab., CA (United States). Chemical Sciences Div.

1995-12-01T23:59:59.000Z

67

Molecular simulations of the transport of molecules across the...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

simulations of the transport of molecules across the liquidvapor interface of water. Molecular simulations of the transport of molecules across the liquidvapor interface of...

68

Single-Molecule Dynamics Reveals Cooperative Binding-Folding...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Molecule Dynamics Reveals Cooperative Binding-Folding in Protein Recognition . Single-Molecule Dynamics Reveals Cooperative Binding-Folding in Protein Recognition . Abstract: The...

69

Sandia National Laboratories: Direct Measurement of Key Molecule...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Modeling & SimulationDirect Measurement of Key Molecule Will Increase Accuracy of Combustion Models Direct Measurement of Key Molecule Will Increase Accuracy of Combustion...

70

Environment Assisted Quantum Transport in Organic Molecules  

E-Print Network [OSTI]

One of the new discoveries in quantum biology is the role of Environment Assisted Quantum Transport (ENAQT) in excitonic transport processes. In disordered quantum systems transport is most efficient when the environment just destroys quantum interferences responsible for localization, but the coupling does not drive the system to fully classical thermal diffusion yet. This poised realm between the pure quantum and the semi-classical domains has not been considered in other biological transport processes, such as charge transport through organic molecules. Binding in receptor-ligand complexes is assumed to be static as electrons are assumed to be not able to cross the ligand molecule. We show that ENAQT makes cross ligand transport possible and efficient between certain atoms opening the way for the reorganization of the charge distribution on the receptor when the ligand molecule docks. This new effect can potentially change our understanding how receptors work. We demonstrate room temperature ENAQT on the c...

Vattay, Gabor

2015-01-01T23:59:59.000Z

71

Opto-Electrical Cooling of Polar Molecules  

E-Print Network [OSTI]

We present an opto-electrical cooling scheme for polar molecules based on a Sisyphus-type cooling cycle in suitably tailored electric trapping fields. Dissipation is provided by spontaneous vibrational decay in a closed level scheme found in symmetric-top rotors comprising six low-field-seeking rovibrational states. A generic trap design is presented. Suitable molecules are identified with vibrational decay rates on the order of 100Hz. A simulation of the cooling process shows that the molecular temperature can be reduced from 1K to 1mK in approximately 10s. The molecules remain electrically trapped during this time, indicating that the ultracold regime can be reached in an experimentally feasible scheme.

M. Zeppenfeld; M. Motsch; P. W. H. Pinkse; G. Rempe

2009-10-07T23:59:59.000Z

72

Microfabricated injectable drug delivery system  

DOE Patents [OSTI]

A microfabricated, fully integrated drug delivery system capable of secreting controlled dosages of multiple drugs over long periods of time (up to a year). The device includes a long and narrow shaped implant with a sharp leading edge for implantation under the skin of a human in a manner analogous to a sliver. The implant includes: 1) one or more micromachined, integrated, zero power, high and constant pressure generating osmotic engine; 2) low power addressable one-shot shape memory polymer (SMP) valves for switching on the osmotic engine, and for opening drug outlet ports; 3) microfabricated polymer pistons for isolating the pressure source from drug-filled microchannels; 4) multiple drug/multiple dosage capacity, and 5) anisotropically-etched, atomically-sharp silicon leading edge for penetrating the skin during implantation. The device includes an externally mounted controller for controlling on-board electronics which activates the SMP microvalves, etc. of the implant.

Krulevitch, Peter A. (Pleasanton, CA); Wang, Amy W. (Oakland, CA)

2002-01-01T23:59:59.000Z

73

Rensselaer Experiment Finds Water Molecules Are Always H2O  

E-Print Network [OSTI]

the scattering of neutrons from light water molecules (H2O) and heavy water molecules (D2O). Researchers foundRensselaer Experiment Finds Water Molecules Are Always H2O Researchers at Rensselaer that found water molecules are made up of two hydrogen atoms and one oxygen atom, even during very short time

Danon, Yaron

74

Thermodynamics for single-molecule stretching experiments  

E-Print Network [OSTI]

Thermodynamics for single-molecule stretching experiments J.M. Rubi,a D. Bedeauxb and S. Kjelstrupb, Trondheim, 7491-Norway May 3, 2006 Abstract We show how to construct non-equilibrium thermodynamics for systems too small to be considered thermodynamically in a traditional sense. Through the use of a non

Kjelstrup, Signe

75

Paradoxical Signaling by a Secreted Molecule Leads  

E-Print Network [OSTI]

*Correspondence: nir.friedman@weizmann.ac.il http://dx.doi.org/10.1016/j.cell.2014.07.033 SUMMARY A widespread molecule can induce opposite effects in the responding cells. For example, the cytokine IL-2 can promote to the paradoxical effect of IL-2, which increases the proliferation rate cooperatively and the death rate linearly

76

antirheumatic drugs dmards: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

and Information Sciences Websites Summary: delivery of safe and cost- effective patient care1. The incidence of drug-drug interactions (DDIsExtracting Drug-Drug Interaction...

77

antineoplastic drugs: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

and Information Sciences Websites Summary: delivery of safe and cost- effective patient care1. The incidence of drug-drug interactions (DDIsExtracting Drug-Drug Interaction...

78

antineoplastic drugs chimio-radiotherapie: Topics by E-print...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

and Information Sciences Websites Summary: delivery of safe and cost- effective patient care1. The incidence of drug-drug interactions (DDIsExtracting Drug-Drug Interaction...

79

Quantum Error Correction with magnetic molecules  

E-Print Network [OSTI]

Quantum algorithms often assume independent spin qubits to produce trivial $|\\uparrow\\rangle=|0\\rangle$, $|\\downarrow\\rangle=|1\\rangle$ mappings. This can be unrealistic in many solid-state implementations with sizeable magnetic interactions. Here we show that the lower part of the spectrum of a molecule containing three exchange-coupled metal ions with $S=1/2$ and $I=1/2$ is equivalent to nine electron-nuclear qubits. We derive the relation between spin states and qubit states in reasonable parameter ranges for the rare earth $^{159}$Tb$^{3+}$ and for the transition metal Cu$^{2+}$, and study the possibility to implement Shor's Quantum Error Correction code on such a molecule. We also discuss recently developed molecular systems that could be adequate from an experimental point of view.

José J. Baldoví; Salvador Cardona-Serra; Juan M. Clemente-Juan; Luis Escalera-Moreno; Alejandro Gaita-Arińo; Guillermo Mínguez Espallargas

2014-08-22T23:59:59.000Z

80

Langmuir Films of Polycyclic Molecules on Mercury  

SciTech Connect (OSTI)

Langmuir films (LFs) of biphenyl and anthracene derivatives on the surface of liquid mercury were studied by surface-specific X-ray and surface tension measurements. Phases of lying-down, side-lying and standing-up molecules were found, some of which exhibit long-range lateral order. The molecular symmetry and the position and nature of the side-, end-, and headgroups are shown to dominate the structural evolution of the LFs with surface coverage.

Tamam,L.; Kraack, H.; Sloutskin, E.; Ocko, B.; Pershan, P.; Deutsch, M.

2007-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "antifungal drug molecules" 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

Frontiers in drug discovery Integrating chemistry and biology in the search for the next generation of therapeutics.  

E-Print Network [OSTI]

Frontiers in drug discovery Integrating chemistry and biology in the search for the next generation a target,generating a lead molecule,opti- mizing its properties and then proceeding to preclinical to creating the next generation of therapeutic agents. Basic advances at the interface of chemistry

Cai, Long

82

Modeling and analysis of single-molecule experiments  

E-Print Network [OSTI]

Single molecule experiments offer a unique window into the molecular world. This window allows us to distinguish the behaviors of individual molecules from the behavior of bulk by observing rare events and heterogeneity ...

Witkoskie, James B

2005-01-01T23:59:59.000Z

83

Electrochemical deposition of small molecules for electronic materials   

E-Print Network [OSTI]

The method of the deposition of films of small molecules for use in electronic applications is just as important as the molecule design itself as the film’s morphology and continuity influence the performance of the ...

Allwright, Emily Marieke

2014-11-27T23:59:59.000Z

84

Nanofluidic system for single molecule manipulation and analysis  

E-Print Network [OSTI]

This thesis focuses on characterizing and controlling the translocation of single 48.5 kbp [lambda]-DNA molecules through an artificial nanopore with the objective of enabling multiple measurements on the same molecule. ...

Sen, Yi-Heng

2008-01-01T23:59:59.000Z

85

Nanodevices for generating power from molecules and batteryless sensing  

DOE Patents [OSTI]

A nanoconverter or nanosensor is disclosed capable of directly generating electricity through physisorption interactions with molecules that are dipole containing organic species in a molecule interaction zone. High surface-to-volume ratio semiconductor nanowires or nanotubes (such as ZnO, silicon, carbon, etc.) are grown either aligned or randomly-aligned on a substrate. Epoxy or other nonconductive polymers are used to seal portions of the nanowires or nanotubes to create molecule noninteraction zones. By correlating certain molecule species to voltages generated, a nanosensor may quickly identify which species is detected. Nanoconverters in a series parallel arrangement may be constructed in planar, stacked, or rolled arrays to supply power to nano- and micro-devices without use of external batteries. In some cases breath, from human or other life forms, contain sufficient molecules to power a nanoconverter. A membrane permeable to certain molecules around the molecule interaction zone increases specific molecule nanosensor selectivity response.

Wang, Yinmin; Wang, Xianying; Hamza, Alex V.

2014-07-15T23:59:59.000Z

86

Intermittent Single-Molecule Interfacial Electron Transfer Dynamics...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

confocal fluorescence microscopy. Fluorescence intensity trajectories of individual dye molecules adsorbed on a semiconductor NP surface showed fluorescence fluctuations and...

87

Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments  

E-Print Network [OSTI]

Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments Chao Zhang contributions of each of the two hydrogen atoms to the vibrational modes 1 and 3 of water molecules the early works on the molecular structure of water, it has been accepted that a water molecule

Guidoni, Leonardo

88

Photostability of dye molecules trapped in solid matrices  

E-Print Network [OSTI]

Photostability of dye molecules trapped in solid matrices Arnaud Dubois, Michael Canva, Alain Brun, Fre´de´ric Chaput, and Jean-Pierre Boilot The photostability of dye molecules trapped in transparent that different trapped dye molecules can absorb on average before they are bleached. Dyes such as Perylene Red

Boyer, Edmond

89

High-Order Harmonic Generation of Heteronuclear Diatomic Molecules  

E-Print Network [OSTI]

High-Order Harmonic Generation of Heteronuclear Diatomic Molecules in Intense Ultrashort Laser ionization (MPI) and high-order harmonic generation (HHG) processes of N2 and CO molecules in intense laser of the homonuclear N2 molecule can generate only odd harmonics, both even and odd harmonics can be produced from

Chu, Shih-I

90

Biomimetic Dye Molecules for Solar Cells  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-Series to someone6 M. Babzien,Biological Imaging byBiomimetic Dye Molecules for

91

Biomimetic Dye Molecules for Solar Cells  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-Series to someone6 M. Babzien,Biological Imaging byBiomimetic Dye Molecules

92

Enhanced drug delivery capabilities from stents coated with absorbable polymer and crystalline drug  

E-Print Network [OSTI]

Current drug eluting stent (DES) technology is not optimized with regard to the pharmacokinetics of drug delivery. A novel, absorbable-coating sirolimus-eluting stent (AC-SES) was evaluated for its capacity to deliver drug ...

Carlyle, Wenda C.

93

Theoretical investigation on single-molecule chiroptical spectroscopy  

SciTech Connect (OSTI)

Some experimental results of chiroptical response of single molecule have already reported. In those experiments, dissymmetry parameter, g was used as an indicator of the relative circular dichroism intensity. The parameter for individual molecules was measured. For the purpose of giving an interpretation or explanation to the experimental result, the dissymmetry parameter is formulated on the basis of Fermi’s golden rule. Subsequently, the value of individual molecules is evaluated as a function of the direction of light propagation to the orientationary fixed molecules. The ground and excited wavefunction of electrons in the molecule and transition moments needed are culculated using the density functional theory.

Wakabayashi, M. [Tokyo Institute of Technology, School and Graduate School of Bioscience and Biotechnology, 4259 Nagatsuta-cho, Midori-ku, Yokohama, Kanagawa (Japan); Yokojima, S. [Tokyo University of Pharmacy and Life Sciences, 1423-1 Horinouchi, Hachiouji-shi, Tokyo (Japan); Fukaminato, T. [Research Institute for Electronic Science, Hokkaido University, N20, W10, Kita-ku, Sapporo 001-0020 (Japan); Ogata, K.; Nakamura, S. [Research Cluster for Innovation, Nakamura Lab, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan)

2013-12-10T23:59:59.000Z

94

CMB and Molecules at High Redshift  

E-Print Network [OSTI]

It becomes possible now to detect cold molecules at high redshift in the millimeter domain. Since the first discovery in 1992 by Brown and van den Bout of CO lines at z=2.28 in a gravitationally lensed starburst galaxy, nearly ten objects are now known to possess large quantities of molecular gas beyond z=1 and up to z = 5, through millimeter and sub-millimeter emission lines. The continuum dust emission is the most easily detected: in the mm domain, the emission is stronger for the more redshifted objects. For the CO lines, the situation is less favorable, and the reported detections are helped by gravitational amplification. The increase of the CMB temperature T_{bg} with redshift helps the rotational line excitation (especially at high z), but not its detection. Absorption in front of quasars is a more sensitive probe of cold gas at high redshift, able to detect individual clouds of a few solar masses (instead of 10^{10} Mo for emission). From the diffuse components, one can measure the cosmic black body temperature as a function of redshift. The high column densities component allow to observe important molecules not observable from the ground, like O2, H2O and LiH for example.

F. Combes

1999-01-17T23:59:59.000Z

95

Low energy ion-molecule reactions  

SciTech Connect (OSTI)

This project is concerned with elucidating the dynamics of elementary ion-molecule reactions at collision energies near and below 1 eV. From measurements of the angular and energy distributions of the reaction products, one can infer intimathe details about the nature of collisions leading to chemical reaction, the geometries and lifetimes of intermediate complexes that govern the reaction dynamics, and the collision energy dependence of these dynamical features. The author employs crossed-beam low energy mass spectrometry technology developed over the last several years, with the focus of current research on proton transfer and hydrogen atom transfer reactions of te O{sup {minus}} ion with species such as HF, H{sub 2}O, and NH{sub 3}.

Farrar, J.M. [Univ. of Rochester, NY (United States)

1993-12-01T23:59:59.000Z

96

Absolute absorption spectroscopy based on molecule interferometry  

E-Print Network [OSTI]

We propose a new method to measure the absolute photon absorption cross section of neutral molecules in a molecular beam. It is independent of our knowledge of the particle beam density, nor does it rely on photo-induced fragmentation or ionization. The method is based on resolving the recoil resulting from photon absorption by means of near-field matter-wave interference, and it thus applies even to very dilute beams with low optical densities. Our discussion includes the possibility of internal state conversion as well as fluorescence. We assess the influence of various experimental uncertainties and show that the measurement of absolute absorption cross sections is conceivable with high precision and using existing technologies.

Stefan Nimmrichter; Klaus Hornberger; Hendrik Ulbricht; Markus Arndt

2008-11-07T23:59:59.000Z

97

antiepileptic drug effects: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

of alcohol and drugs. 6. Describe the personality traits of the alcoholic and drug addict. 7. Describe the treatment and rehabilitation of the alcoholic and drug addict. 8....

98

Target molecules detection by waveguiding in a photonic silicon membrane  

DOE Patents [OSTI]

Disclosed herein is a porous silicon filter capable of binding and detecting biological and chemical target molecules in liquid or gas samples. A photonic waveguiding silicon filter with chemical and/or biological anchors covalently attached to the pore walls bind target molecules. The system uses transmission curve engineering principles to allow measurements to be made in situ and in real time to detect the presence of various target molecules and calculate the concentration of bound target.

Letant, Sonia E. (Livermore, CA); Van Buuren, Anthony (Livermore, CA); Terminello, Louis (Danville, CA); Hart, Bradley R. (Brentwood, CA)

2006-12-26T23:59:59.000Z

99

Target molecules detection by waveguiding in a photonic silicon membrane  

DOE Patents [OSTI]

Disclosed herein is a photonic silicon filter capable of binding and detecting biological and chemical target molecules in liquid or gas samples. A photonic waveguiding silicon filter with chemical and/or biological anchors covalently attached to the pore walls selectively bind target molecules. The system uses transmission curve engineering principles to allow measurements to be made in situ and in real time to detect the presence of various target molecules and determine the concentration of bound target.

Letant, Sonia; Van Buuren, Anthony; Terminello, Louis

2004-08-31T23:59:59.000Z

100

The photodissociation and reaction dynamics of vibrationally excited molecules  

SciTech Connect (OSTI)

This research determines the nature of highly vibrationally excited molecules, their unimolecular reactions, and their photodissociation dynamics. The goal is to characterize vibrationally excited molecules and to exploit that understanding to discover and control their chemical pathways. Most recently the author has used a combination of vibrational overtone excitation and laser induced fluorescence both to characterize vibrationally excited molecules and to study their photodissociation dynamics. The author has also begun laser induced grating spectroscopy experiments designed to obtain the electronic absorption spectra of highly vibrationally excited molecules.

Crim, F.F. [Univ. of Wisconsin, Madison (United States)

1993-12-01T23:59:59.000Z

Note: This page contains sample records for the topic "antifungal drug molecules" 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

Microfluidic systems for continuous crystallization of small organic molecules  

E-Print Network [OSTI]

This thesis presents one of the first demonstrations of continuous crystallization in microfluidic devices, and illustrates their use for various applications related to crystallization of small organic molecules. ...

Sultana, Mahmooda

2010-01-01T23:59:59.000Z

102

Glucose sensing molecules having selected fluorescent properties  

DOE Patents [OSTI]

An analyte sensing fluorescent molecule that employs intramolecular electron transfer is designed to exhibit selected fluorescent properties in the presence of analytes such as saccharides. The selected fluorescent properties include excitation wavelength, emission wavelength, fluorescence lifetime, quantum yield, photostability, solubility, and temperature or pH sensitivity. The compound comprises an aryl or a substituted phenyl boronic acid that acts as a substrate recognition component, a fluorescence switch component, and a fluorophore. The fluorophore and switch component are selected such that the value of the free energy for electron transfer is less than about 3.0 kcal mol.sup.-1. Fluorescent compounds are described that are excited at wavelengths greater than 400 nm and emit at wavelengths greater than 450 nm, which is advantageous for optical transmission through skin. The fluorophore is typically selected from transition metal-ligand complexes and thiazine, oxazine, oxazone, or oxazine-one as well as anthracene compounds. The fluorescent compound can be immobilized in a glucose permeable biocompatible polymer matrix that is implantable below the skin.

Satcher Jr., Joe H.; Lane, Stephen M.; Darrow, Christopher B.; Cary, Douglas R.; Tran, Joe Anh

2004-01-27T23:59:59.000Z

103

Spectroscopic probes of vibrationally excited molecules at chemically significant energies  

SciTech Connect (OSTI)

This project involves the application of multiple-resonance spectroscopic techniques for investigating energy transfer and dissociation dynamics of highly vibrationally excited molecules. Two major goals of this work are: (1) to provide information on potential energy surfaces of combustion related molecules at chemically significant energies, and (2) to test theoretical modes of unimolecular dissociation rates critically via quantum-state resolved measurements.

Rizzo, T.R. [Univ. of Rochester, NY (United States)

1993-12-01T23:59:59.000Z

104

Ejection of Neutral Molecules from Ion-bombarded Organic Surfaces  

E-Print Network [OSTI]

. In the present study, time-of-flight and energy distribu- tions of various neutral molecules ejected upon keV ionEjection of Neutral Molecules from Ion- bombarded Organic Surfaces Reema Chatterjee, Donald E, 184 Materials Research Institute Building, University Park, PA 16802, USA Time-of-flight distributions

Zbigniew, Postawa

105

Supplementary Material Free energy recovery in single molecule experiments  

E-Print Network [OSTI]

Supplementary Material Free energy recovery in single molecule experiments Single molecule force measurements (experimental setup shown in Fig. S1) can be used to determine free-energy differences between the unfolding process and using the thermodynamic relation revWG = , we can estimate the RNA folding free energy

Ritort, Felix

106

Atoms, Molecules, Moles and Their Masses M. Kostic  

E-Print Network [OSTI]

Atoms, Molecules, Moles and Their Masses M. Kostic One Mole (or abbreviated particles (atoms for elements or molecules for compounds or atomic group, etc.), equal to the number of atoms in 12 grams of C12 carbon. Therefore, 1 mol (or mole) of any substance has the same number, i

Kostic, Milivoje M.

107

Mining Molecular Fragments: Finding Relevant Substructures of Molecules  

E-Print Network [OSTI]

­known National Cancer Institute's HIV­screening dataset. 1. Introduction Many data mining tasks in bioinformaticsMining Molecular Fragments: Finding Relevant Substructures of Molecules Christian Borgelt School in a set of molecules that help to discriminate between different classes of, for instance, activity

Borgelt, Christian

108

Mining Molecular Fragments: Finding Relevant Substructures of Molecules  

E-Print Network [OSTI]

-known National Cancer Institute's HIV-screening dataset. 1. Introduction Many data mining tasks in bioinformaticsMining Molecular Fragments: Finding Relevant Substructures of Molecules Christian Borgelt School in a set of molecules that help to discriminate between different classes of, for instance, activity

Borgelt, Christian

109

Self-Assembly of Dendron Rodcoil Molecules into Nanoribbons  

E-Print Network [OSTI]

Self-Assembly of Dendron Rodcoil Molecules into Nanoribbons Eugene R. Zubarev, Martin U. Pralle on designed molecules that self-order or fold. The focus on self-assembly throughout the 90s has generated to control the dimensionality and shape of self- assembled structures through molecular design remains a chal

Zubarev, Eugene

110

Colossal Absorption of Molecules Inside Single Terahertz Nanoantennas  

E-Print Network [OSTI]

Colossal Absorption of Molecules Inside Single Terahertz Nanoantennas Hyeong-Ryeol Park, Kwang Jun: Molecules have extremely small absorption cross sections in the terahertz range even under resonant to be enhanced by >103 accompanied by a colossal absorption coefficient of 170 000 cm-1 . Tens of nanograms

Park, Namkyoo

111

Dust and Molecules at High Redshift  

E-Print Network [OSTI]

In the last years, progress has been very rapid in the domain of molecules at high redshift, and we know in better detail now the molecular and dust content in several systems beyond z=1 and up to z = 5. The first discovery in 1992 by Brown and van den Bout of CO lines at z=2.28 in a gravitationally lensed starburst galaxy, strongly stimulated searches of other systems, but these were harder than foreseen, and less than 10 other systems have been discovered in CO emission. Redshifts range between 2 and 5, the largest being BR1202-0725 at z=4.69. Most of these systems, if not all, are gravitationally amplified objects. Some have been discovered first through their dust emission, relatively easy to detect because of the negative K-correction effect. The detection of all these systems could give an answer about the debated question of the star-formation rate as a function of redshift. The maximum of star-formation rate, found around z=2 from optical studies, could shift to higher z if the most remote objects are hidden by dust. Absorption in front of quasars can also probe cold gas at high redshift, taking advantage of very high spatial (milli arcsec) and spectral (30m/s) resolutions. From the diffuse components, one can measure the cosmic black body temperature as a function of redshift. All these preliminary studies will be carried out at large scales with future millimeter instruments, and some perspectives are given.

F. Combes

1998-12-23T23:59:59.000Z

112

Transitions of tethered chain molecules under tension  

E-Print Network [OSTI]

An applied tension force changes the equilibrium conformations of a polymer chain tethered to a planar substrate and thus affects the adsorption transition as well as the coil-globule and crystallization transitions. Conversely, solvent quality and surface attraction are reflected in equilibrium force-extension curves that can be measured in experiments. To investigate these effects theoretically, we study tethered chains under tension with Wang-Landau simulations of a bond-fluctuation lattice model. Applying our model to pulling experiments on biological molecules we obtain a good description of experimental data in the intermediate force range, where universal features dominate and finite size effects are small. For tethered chains in poor solvent, we observe the predicted two-phase coexistence at transitions from the globule to stretched conformations and also discover direct transitions from crystalline to stretched conformations. A phase portrait for finite chains constructed by evaluating the density of states for a broad range of solvent conditions and tensions shows how increasing tension leads to a disappearance of the globular phase. For chains in good solvents tethered to hard and attractive surfaces we find the predicted scaling with the chain length in the low-force regime and show that our results are well described by an analytical, independent-bond approximation for the bond-fluctuation model for the highest tensions. Finally, for a hard or slightly attractive surface the stretching of a tethered chain is a conformational change that does not correspond to a phase transition. However, when the surface attraction is sufficient to adsorb a chain it will undergo a desorption transition at a critical value of the applied force. Our results for force-induced desorption show the transition to be discontinuous with partially desorbed conformations in the coexistence region.

Jutta Luettmer-Strathmann; Kurt Binder

2014-09-09T23:59:59.000Z

113

Neuroimaging for drug addiction and related behaviors  

SciTech Connect (OSTI)

In this review, we highlight the role of neuroimaging techniques in studying the emotional and cognitive-behavioral components of the addiction syndrome by focusing on the neural substrates subserving them. The phenomenology of drug addiction can be characterized by a recurrent pattern of subjective experiences that includes drug intoxication, craving, bingeing, and withdrawal with the cycle culminating in a persistent preoccupation with obtaining, consuming, and recovering from the drug. In the past two decades, imaging studies of drug addiction have demonstrated deficits in brain circuits related to reward and impulsivity. The current review focuses on studies employing positron emission tomography (PET), functional magnetic resonance imaging (fMRI), and electroencephalography (EEG) to investigate these behaviors in drug-addicted human populations. We begin with a brief account of drug addiction followed by a technical account of each of these imaging modalities. We then discuss how these techniques have uniquely contributed to a deeper understanding of addictive behaviors.

Parvaz M. A.; Parvaz, M.A.; Alia-Klein, N.; Woicik,P.A.; Volkow, N.D.; Goldstein, R.Z.

2011-10-01T23:59:59.000Z

114

Rethinking America’s Illegal Drug Policy  

E-Print Network [OSTI]

treatment); health care costs (drug-related illnesses, injuries); reduced performance in school; reduced performance at workplace; poor parenting, child abuse;

Donohue III, John J.

2011-01-01T23:59:59.000Z

115

Palladium-catalyzed C-N cross-coupling reactions toward the synthesis of drug-like molecules  

E-Print Network [OSTI]

The development of methodologies for C-N bond formation reactions is an important scientific challenge because of many academic and industrial applications. This work will focus particularly on palladium-catalyzed ...

McAvoy, Camille Z

2012-01-01T23:59:59.000Z

116

FEXOFENADINE AND ORGANIC ANION TRANSPORTING POLYPEPTIDES (OATPs): TRANSPORT AND DRUG-DRUG INTERACTIONS  

E-Print Network [OSTI]

Transporters play a major role in the absorption and disposition of fexofenadine, suggesting this drug could be used as a probe of transporter activity. When fexofenadine was administered in combination with four drugs ...

Flynn, Colleen A.

2011-12-31T23:59:59.000Z

117

Mechanical loading impacts intramuscular drug transport : impact on local drug delivery  

E-Print Network [OSTI]

Controlled-release drug-delivery systems enable efficient and defined administration of therapeutic agents to target tissues. However, ultimate drug distribution and pharmacologic effect are determined by target tissue ...

Wu, Peter I-Kung

2008-01-01T23:59:59.000Z

118

Adsorption structure of water molecules on the Be(0001) surface  

SciTech Connect (OSTI)

By using density functional theory calculations, we systematically investigate the adsorption of water molecules at different coverages on the Be(0001) surface. The coverage dependence of the prototype water structures and energetics for water adlayer growth are systematically studied. The structures, energetics, and electronic properties are calculated and compared with other available studies. Through our systematic investigations, we find that water molecules form clusters or chains on the Be(0001) surface at low coverages. When increasing the water coverage, water molecules tend to form a 2?×?2 hexagonal network on the Be(0001) surface.

Yang, Yu; Li, Yanfang [LCP, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088 (China); Wang, Shuangxi [College of Science, China University of Petroleum, Beijing 102249 (China); Zhang, Ping, E-mail: zhang-ping@iapcm.ac.cn [LCP, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088 (China); Center for Applied Physics and Technology, Peking University, Beijing 100871 (China)

2014-06-07T23:59:59.000Z

119

Recent progress in electron scattering from atoms and molecules  

SciTech Connect (OSTI)

We present and discuss recent results, both experimental and theoretical (where possible), for electron impact excitation of the 3s[3/2 ]{sub 1} and 3s?[1/2 ]{sub 1} electronic states in neon, elastic electron scattering from the structurally similar molecules benzene, pyrazine, and 1,4-dioxane and excitation of the electronic states of the important bio-molecule analogue ?-tetrahydrofurfuryl alcohol. While comparison between theoretical and experimental results suggests that benchmarked cross sections for electron scattering from atoms is feasible in the near-term, significant further theoretical development for electron-molecule collisions, particularly in respect to discrete excitation processes, is still required.

Brunger, M. J. [Centre for Antimatter-Matter Studies, CAPS, Flinders University, GPO Box 2100, Adelaide, SA 5001, Australia and Institute of Mathematical Sciences, University of Malaya, Kuala Lumpur (Malaysia); Buckman, S. J. [Institute of Mathematical Sciences, University of Malaya, Kuala Lumpur, Malaysia and Centre for Antimatter-Matter Studies, AMPL, Australian National University, Canberra, ACT 0200 (Australia); Sullivan, J. P.; Palihawadana, P. [Centre for Antimatter-Matter Studies, AMPL, Australian National University, Canberra, ACT 0200 (Australia); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Chiari, L.; Pettifer, Z. [Centre for Antimatter-Matter Studies, CAPS, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Silva, G. B. da [Centre for Antimatter-Matter Studies, CAPS, Flinders University, GPO Box 2100, Adelaide, SA 5001, Australia and Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Lopes, M. C. A. [Centre for Antimatter-Matter Studies, CAPS, Flinders University, GPO Box 2100, Adelaide, SA 5001, Australia and Departamento de Fisica, Universidade Federal de Juiz de Fora, Juiz de Fora, MG (Brazil); Duque, H. V. [Departamento de Fisica, Universidade Federal de Juiz de Fora, Juiz de Fora, MG (Brazil); Masin, Z.; Gorfinkiel, J. D. [Department of Physical Sciences, The Open University, Walton Hall, Milton Keynes, MK7 6AA (United Kingdom); Garcia, G. [Instituto de Fisica Fundamental, CSIC, Madrid E-28006 (Spain); Hoshino, M.; Tanaka, H. [Department of Physics, Sophia University, Tokyo, 102-8554 (Japan); Limăo-Vieira, P. [Laboratório de Colisőes Atómicas e Moleculares, CEFITEC, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal)

2014-03-05T23:59:59.000Z

120

Chemical bond and entanglement of electrons in the hydrogen molecule  

E-Print Network [OSTI]

We theoretically investigate the quantum correlations (in terms of concurrence of indistinguishable electrons) in a prototype molecular system (hydrogen molecule). With the assistance of the standard approximations of the linear combination of atomic orbitals and the con?guration interaction methods we describe the electronic wavefunction of the ground state of the H2 molecule. Moreover, we managed to ?find a rather simple analytic expression for the concurrence (the most used measure of quantum entanglement) of the two electrons when the molecule is in its lowest energy. We have found that concurrence does not really show any relation to the construction of the chemical bond.

Nikos Iliopoulos; Andreas F. Terzis

2014-08-01T23:59:59.000Z

Note: This page contains sample records for the topic "antifungal drug molecules" 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

Observation of duplex DNA-drug noncovalent complexes by electrospray ionization mass spectrometry  

SciTech Connect (OSTI)

We have observed by ESI-MS the noncovalent complex formed between a minor groove binding molecule and a 12 base pair self-complementary oligonucleotide. When the ratio of Distamycin Dm to oligonucleotide was varied, oligonucleotide duplex, 1:1 Dm/oligonucleotide duplex, and 2:1 Dm/oligonucleotide duplex noncovalent complexes were observed, consistent with NMR results for the same sequence and Dm to oligonucleotide duplex concentration ratios. These results indicate that ESI-MS is an effective analytical technique for the detection of specific drug-oligonucleotide duplex noncovalent complexes and that specific noncovalent complexes can be observed reflecting stoichiometry in solution. Additional experiments to determine if ESI-MS can provide information on the specificity and selectivity of additional minor groove binding and intercalating molecules are in progress. 19 refs., 1 fig.

Gale, D.C.; Goodlett, D.R.; Light-Wahl, K.J.; Smith, R.D. (Pacific Northwest Lab., Richland, WA (United States))

1994-06-29T23:59:59.000Z

122

Understanding Enzyme Activity Using Single Molecule Tracking (Poster)  

SciTech Connect (OSTI)

This poster describes single-molecule tracking and total internal reflection fluorescence microscopy. It discusses whether the carbohydrate-binding module (CBM) moves on cellulose, how the CBM binds to cellulose, and the mechanism of cellulosome assembly.

Liu, Y.-S.; Zeng, Y.; Luo, Y.; Xu, Q.; Himmel, M.; Smith S.; Wei, H.; Ding, S.-Y.

2009-06-01T23:59:59.000Z

123

Attosecond electronic and nuclear quantum photodynamics of the ozone molecule  

SciTech Connect (OSTI)

Coupled electron-nuclear dynamics simulations are investigated for the ozone molecule on the attosecond time scale. The initial wavepacket is pumped as a coherent superposition of two or three electronic states.

Halász, G. J. [Department of Information Technology, University of Debrecen, H-4010 Debrecen, PO Box 12 (Hungary)] [Department of Information Technology, University of Debrecen, H-4010 Debrecen, PO Box 12 (Hungary); Perveaux, A.; Lasorne, B.; Gatti, F. [CTMM, Institut Charles Gerhardt Montpellier, F-34095 Montpellier Cedex 5 (France)] [CTMM, Institut Charles Gerhardt Montpellier, F-34095 Montpellier Cedex 5 (France); Robb, M. A. [Imperial College London, Department of Chemistry, London SW7 2AZ (United Kingdom)] [Imperial College London, Department of Chemistry, London SW7 2AZ (United Kingdom); Vibók, Á. [Department of Theoretical Physics, University of Debrecen, H-40410 Debrecen, PO Box 5 (Hungary)] [Department of Theoretical Physics, University of Debrecen, H-40410 Debrecen, PO Box 5 (Hungary)

2013-11-13T23:59:59.000Z

124

Multimonth controlled small molecule release from biodegradable thin films  

E-Print Network [OSTI]

Long-term, localized delivery of small molecules from a biodegradable thin film is challenging owing to their low molecular weight and poor charge density. Accomplishing highly extended controlled release can facilitate ...

Hammond, Paula T.

125

The Charmonium-molecule hybrid structure of the X(3872)  

SciTech Connect (OSTI)

We propose that the X(3872) has the charmonium and the DD*-bar hadronic molecule hybrid structure. We study the structure of the X(3872) using the schematic model with the separable interaction. The strengths of the couplings between the charmonium state and the hadronic molecule states are determined so as to reproduce the observed mass of the the X(3872). The isospin symmetry breaking is introduced by the mass differences of the neutral and charged D mesons. The obtained structure of the X(3872) is about 9% of cc-bar charmonium, 75% of the isoscalar DD*-bar molecule and 16percent; of the isovector DD*-bar molecule which explains observed properties of the X(3872) well.

Takizawa, Makoto [Showa Pharmaceutical University, Machida, Tokyo 194-8543 (Japan); Takeuchi, Sachiko [Japan College of Social Work, Kiyose, Tokyo 204-8555 (Japan); Shimizu, Kiyotaka [Department of Physics, Sophia University, Chiyoda-ku, Tokyo 102-8554 (Japan)

2011-10-21T23:59:59.000Z

126

Conformation and Luminescence of Isolated Molecular Semiconductor Molecules  

E-Print Network [OSTI]

as the active layer in optoelectronic devices such as organic light-emitting diodes (OLEDs) and lasers. Unlike many conjugated polymers used in optoelectronic devices, these molecules are high in purity and well

Buratto, Steve

127

Orientational Analysis of Molecules in Thin Films | Stanford...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Orientational Analysis of Molecules in Thin Films Monday, September 17, 2012 - 10:00am SSRL Bldg. 137, room 226 Daniel Kaefer The synchrotron-based X-ray absorption spectroscopy is...

128

Isolated menthone reductase and nucleic acid molecules encoding same  

DOE Patents [OSTI]

The present invention provides isolated menthone reductase proteins, isolated nucleic acid molecules encoding menthone reductase proteins, methods for expressing and isolating menthone reductase proteins, and transgenic plants expressing elevated levels of menthone reductase protein.

Croteau, Rodney B; Davis, Edward M; Ringer, Kerry L

2013-04-23T23:59:59.000Z

129

Computational modeling of biological molecule separation in nanofluidic devices  

E-Print Network [OSTI]

Separation of biological molecules such as DNA and protein is of great importance for the chemical and pharmaceutical industries. In recent years, several researchers focused on fabricating patterned regular sieving ...

Fayad, Ghassan Najib, 1982-

2010-01-01T23:59:59.000Z

130

Estimation method for the thermochemical properties of polycyclic aromatic molecules  

E-Print Network [OSTI]

Polycyclic aromatic molecules, including polycyclic aromatic hydrocarbons (PAHs) have attracted considerable attention in the past few decades. They are formed during the incomplete combustion of hydrocarbon fuels and are ...

Yu, Joanna

2005-01-01T23:59:59.000Z

131

Scaffolding Carbon Nanotubes into Single-Molecule Circuitry  

E-Print Network [OSTI]

tion of individual carbon nanotubes. Nano Lett. 3, 613 (C. Dekker: Enzyme-coated carbon nanotubes as single-moleculeing point defects in carbon nanotubes. Nat. Mater. 4, 906 (

Collins, Philip G

2008-01-01T23:59:59.000Z

132

Exploring the mechanome with optical tweezers and single molecule fluorescence  

E-Print Network [OSTI]

The combination of optical tweezers and single molecule fluorescence into an instrument capable of making combined, coincident measurements adds an observable dimension that allows for the examination of the localized ...

Brau, Ricardo R. (Ricardo Rafael), 1979-

2008-01-01T23:59:59.000Z

133

Probing Valance and Core Excitons in Molecules by Coherent Multidimens...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

are simulated. Time-domain experiments that employ sequences of attosecond x-ray pulses in order to probe electronic and nuclear dynamics in molecules are made possible by...

134

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

135

Dissociative Adsorption of Molecules on Graphene and Silicene  

E-Print Network [OSTI]

We study the interaction of H$_2$, O$_2$, CO, H$_2$O and OH molecules with the vacancy defects of graphene and silicene. Atoms around the bare vacancy reconstruct and specific chemically active sites are created. While H$_2$, O$_2$ and CO remain intact on both pristine graphene and silicene, these molecules can dissociate when they are placed at the close proximity of these chemically active sites and nucleate centers for the hydrogenation and oxygenation. Saturation of the dangling bonds at the defect sites by constituent atoms of dissociated molecules gives rise to significant modification of electronic and magnetic properties. We analyzed the mechanism of the dissociation and revealed a concerted action of surrounding host atoms together with dissociated molecules to lower the energy barrier needed for dissociation. The dissociations of H$_2$O and OH are hindered by high energy barriers. Our study suggests that graphene and silicene can be functionalized by creating meshes of single vacancy, where specific...

Gurel, H Hakan; Ciraci, S

2014-01-01T23:59:59.000Z

136

Single molecule analysis of DNA electrophoresis in microdevices  

E-Print Network [OSTI]

Given that current electrophoresis technology is inadequate for mapping large O[100 kilobasepair] DNA, several promising lab-on-chip designs for DNA mapping have been recently proposed that require either 1) a DNA molecule ...

Randall, Greg C

2006-01-01T23:59:59.000Z

137

Novel polyoxazolines polymer drug delivery platform  

E-Print Network [OSTI]

performed with 4 different polymers in multi- drug resistant (MCF7/ADR) human adenocarcinoma cells, non-resistant (MCF7) human adenocarcinoma cells and Madin-Darby canine kidney (MDCK) cells. All polymers were found lines. 2. To investigate the effect of the addition of drugs to the polymers on cell toxicity, micelles

138

Pricing in the Market for Anticancer Drugs  

E-Print Network [OSTI]

In 2011, Bristol-Myers Squibb set the price of its newly approved melanoma drug ipilimumab— brand name Yervoy—at $120,000 for a course of therapy. The drug was associated with an incremental increase in life expectancy of ...

Howard, David H.

139

Chemical Innovation in Drug Dr Matthew Fuchter  

E-Print Network [OSTI]

Chemical Innovation in Drug Discovery Dr Matthew Fuchter Lecturer in Synthetic and Medicinal&D Spending and Output #12;Chemical Innovation Impact Discovery Development Basic research: years 0-3 Pre 3, File DRUG Chemical start point Hit to lead Preclinical Assessment Synthetic Chemistry Chemistry

140

The World of Youthful Drug Use  

E-Print Network [OSTI]

they meet the fact that the use of drugs is illegal and exposes them to arrest and criminal prosecution. It was obvious that such kinds of information could be secured: only from the youths who were themselves in the drug using world. We could not rely on a...

Blumer, Herbert; Sutter, Alan; Smith, Roger; Ahmed, Samir

2000-04-01T23:59:59.000Z

Note: This page contains sample records for the topic "antifungal drug molecules" 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

E-Print Network 3.0 - adapter molecule cooperates Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

the interaction between Hg(II) and water molecules... DFT study by stepwise solvation of HgCl2 including up to 24 water molecules. In order to include p... molecules. In all cases...

142

anti-parkinsonian drug selegiline: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

and Information Sciences Websites Summary: delivery of safe and cost- effective patient care1. The incidence of drug-drug interactions (DDIsExtracting Drug-Drug Interaction...

143

E-Print Network 3.0 - adverse antiepileptic drug Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Drug ad (intrinsic bias) Summary: Drug Information Chart Notes Drug ad (intrinsic bias) Trade name Different for each company... Dosage Same or different? A drug in a different...

144

Controlling drug delivery across the placenta: A commentary  

E-Print Network [OSTI]

A challenge in modern drug therapy is to develop strategies for safer and more selective targeting of drug delivery in pregnancy. Specifically, approaches are needed that would restrict unnecessary drug exposure to either ...

Audus, Kenneth L.

1999-01-01T23:59:59.000Z

145

WISDOM: A Grid-Enabled Drug Discovery Initiative Against Malaria  

E-Print Network [OSTI]

14 WISDOM: A Grid-Enabled Drug Discovery Initiative Against Malaria Vincent Breton, Doman Kim ................................................................................ 354 14.2 Grid-Enabled Drug Discovery .................................................. 354 14.2.1 In Silico Drug Discovery: Requirements and Grid Added Value

Paris-Sud XI, Université de

146

From Artificial Atoms to Nanocrystal Molecules: Preparation and Properties of More Complex Nanostructures  

E-Print Network [OSTI]

from “artificial atoms” to “artificial molecules”. Angew.quantum dot as an artificial atom. (a) Density of states inFrom Artificial Atoms to Nanocrystal Molecules: Preparation

Choi, Charina L

2010-01-01T23:59:59.000Z

147

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

Broader source: All U.S. Department of Energy (DOE) Office Webpages (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...

148

Organic Molecule Functionalized Zn3P2 Nanowire Inorganic-Organic...  

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

Organic Molecule Functionalized Zn3P2 Nanowire Inorganic-Organic Hybrid Thermoelectrics Organic Molecule Functionalized Zn3P2 Nanowire Inorganic-Organic Hybrid Thermoelectrics...

149

Targeting of drugs and nanoparticles to tumors  

E-Print Network [OSTI]

The various types of cells that comprise the tumor mass all carry molecular markers that are not expressed or are expressed at much lower levels in normal cells. These differentially expressed molecules can be used as ...

Ruoslahti, Erkki

150

Structural genomics of infectious disease drug targets: the SSGCID...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

of infectious disease drug targets: the SSGCID. Structural genomics of infectious disease drug targets: the SSGCID. Abstract: The NIAID-funded SSGCID is a consortium established to...

151

Drugs and oil flow through the Eagle Ford Shale.  

E-Print Network [OSTI]

??This report is a work of original reporting which investigates the proliferation of drug use and drug trafficking in the Eagle Ford Shale, a region… (more)

Marks, Michael Perry

2014-01-01T23:59:59.000Z

152

E-Print Network 3.0 - antiparasitic drugs phosphonohydroxamic...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Pg. 1: Eligible Expenses & Documentation Pg. 2: Over-The-Counter Changes due to Health Care Reform Summary: and "reasonable limits" on OTC drugs, please see -http... drugs...

153

antiepileptic drug development: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

of drug design and development Bommarius Reading Jan 15 Tutorial Sherrill, David 28 Assessing the impact of tumor evolution on oncology drug development and commercialization MIT...

154

Intradermal needle-free powdered drug injection  

E-Print Network [OSTI]

This thesis presents a new method for needle-free powdered drug injection. The design, construction, and testing of a bench-top helium-powered device capable of delivering powder to controllable depths within the dermis ...

Liu, John (John Hsiao-Yung)

2012-01-01T23:59:59.000Z

155

Alcohol and Other Drugs Education and Prevention  

E-Print Network [OSTI]

Free Workplace Policy. 2.0 POLICY STATEMENT In compliance with the federal government's Drug Free, because of Mines' status as a federal contractor and grant recipient and because marijuana use is still

156

Transdermal drug delivery by localized intervention  

E-Print Network [OSTI]

Both field-confined skin electroporation and microscissioning offer minimally invasive methods for delivering drugs across skin and nail with minimal sensation. Both methods create high permeability pathways in a pain-free ...

Weaver, James C.

157

Computational model of local intravascular drug delivery  

E-Print Network [OSTI]

Drug-eluting stents (DES) virtually eradicate the clinical phenomena of vessel restenosis; yet, they also increase the short and long term risks for stent thrombosis. To improve their safety and efficacy, it is critical ...

Balakrishnan, Brinda

2007-01-01T23:59:59.000Z

158

Spectroscopy and reactions of vibrationally excited transient molecules  

SciTech Connect (OSTI)

Spectroscopy, energy transfer and reactions of vibrationally excited transient molecules are studied through a combination of laser-based excitation techniques and efficient detection of emission from the energized molecules with frequency and time resolution. Specifically, a Time-resolved Fourier Transform Emission Spectroscopy technique has been developed for detecting dispersed laser-induced fluorescence in the IR, visible and UV regions. The structure and spectroscopy of the excited vibrational levels in the electronic ground state, as well as energy relaxation and reactions induced by specific vibronic excitations of a transient molecule can be characterized from time-resolved dispersed fluorescence in the visible and UV region. IR emissions from highly vibrational excited levels, on the other hand, reveal the pathways and rates of collision induced vibrational energy transfer.

Dai, H.L. [Univ. of Pennsylvania, Philadelphia (United States)

1993-12-01T23:59:59.000Z

159

Contribution of HD molecules in cooling of the primordial gas  

E-Print Network [OSTI]

We study the effects of HD molecules on thermochemical evolution of the primordial gas behind shock waves, possibly arised in the process of galaxy formation. We find the critical shock velocity when deuterium transforms efficiently into HD molecules which then dominate gas cooling. Above this velocity the shocked gas is able to cool down to the temperature of the cosmic microwave background. Under these conditions the corresponding Jeans mass depends only on redshift and initial density of baryons $M_J \\propto \\delta_c^{-0.5} (1+z)^{0.5}$. At $z\\simgt 45$ HD molecules heat shocked gas, and at larger redshift their contribution to thermal evolution becomes negligible.

E. O. Vasiliev; Yu. A. Shchekinov

2005-07-26T23:59:59.000Z

160

Electron Capture and Scaling Anomaly in Polar Molecules  

E-Print Network [OSTI]

We present a new analysis of the electron capture mechanism in polar molecules, based on von Neumann's theory of self-adjoint extensions. Our analysis suggests that it is theoretically possible for polar molecules to form bound states with electrons, even with dipole moments smaller than the critical value D_0 given by 1.63\\times10^{-18} esu cm. This prediction is consistent with the observed anomalous electron scattering in H_2S and HCl, whose dipole moments are smaller than the critical value D_0. We also show that for a polar molecule with dipole moment less than D_0, typically there is only a single bound state, which is in qualitative agreement with observations. We argue that the quantum mechanical scaling anomaly is responsible for the formation of these bound states.

Pulak Ranjan Giri; Kumar S. Gupta; S. Meljanac; A. Samsarov

2007-03-13T23:59:59.000Z

Note: This page contains sample records for the topic "antifungal drug molecules" 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

Single molecule detection using charge-coupled device array technology  

SciTech Connect (OSTI)

A technique for the detection of single fluorescent chromophores in a flowing stream is under development. This capability is an integral facet of a rapid DNA sequencing scheme currently being developed by Los Alamos National Laboratory. In previous investigations, the detection sensitivity was limited by the background Raman emission from the water solvent. A detection scheme based on a novel mode of operating a Charge-Coupled Device (CCD) is being developed which should greatly enhance the discrimination between fluorescence from a single molecule and the background Raman scattering from the solvent. Register shifts between rows in the CCD are synchronized with the sample flow velocity so that fluorescence from a single molecule is collected in a single moving charge packet occupying an area approaching that of a single pixel while the background is spread evenly among a large number of pixels. Feasibility calculations indicate that single molecule detection should be achieved with an excellent signal-to-noise ratio.

Denton, M.B.

1992-07-29T23:59:59.000Z

162

Surface-induced heating of cold polar molecules  

E-Print Network [OSTI]

We study the rotational and vibrational heating of diatomic molecules placed near a surface at finite temperature on the basis of macroscopic quantum electrodynamics. The internal molecular evolution is governed by transition rates that depend on both temperature and position. Analytical and numerical methods are used to investigate the heating of several relevant molecules near various surfaces. We determine the critical distances at which the surface itself becomes the dominant source of heating and we investigate the transition between the long-range and short-range behaviour of the heating rates. A simple formula is presented that can be used to estimate the surface-induced heating rates of other molecules of interest. We also consider how the heating depends on the thickness and composition of the surface.

Stefan Yoshi Buhmann; M. R. Tarbutt; Stefan Scheel; E. A. Hinds

2008-06-18T23:59:59.000Z

163

Method for loading lipid like vesicles with drugs of other chemicals  

DOE Patents [OSTI]

A method for accumulating drugs or other chemicals within synthetic, lipid-like vesicles by means of a pH gradient imposed on the vesicles just prior to use is described. The method is suited for accumulating molecules with basic or acid moieties which are permeable to the vesicles membranes in their uncharged form and for molecules that contain charge moieties that are hydrophobic ions and can therefore cross the vesicle membranes in their charged form. The method is advantageous over prior art methods for encapsulating biologically active materials within vesicles in that is achieves very high degrees of loading with simple procedures that are economical and require little technical expertise, furthermore kits which can be stored for prolonged periods prior to use without impairment of the capacity to achieve drug accumulation are described. A related application of the method consists of using this technology to detoxify animals that have been exposed to poisons with basic, weak acid or hydrophobic charge groups within their molecular structures. 2 figs.

Mehlhorn, R.J.

1998-06-09T23:59:59.000Z

164

Method for loading lipid like vesicles with drugs of other chemicals  

DOE Patents [OSTI]

A method for accumulating drugs or other chemicals within synthetic, lipid-like vesicles by means of a pH gradient imposed on the vesicles just prior to use is described. The method is suited for accumulating molecules with basic or acid moieties which are permeable to the vesicles membranes in their uncharged form and for molecules that contain charge moieties that are hydrophobic ions and can therefore cross the vesicle membranes in their charged form. The method is advantageous over prior art methods for encapsulating biologically active materials within vesicles in that is achieves very high degrees of loading with simple procedures that are economical and require little technical expertise, furthermore kits which can be stored for prolonged periods prior to use without impairment of the capacity to achieve drug accumulation are described. A related application of the method consists of using this technology to detoxify animals that have been exposed to poisons with basic, weak acid or hydrophobic charge groups within their molecular structures.

Mehlhorn, Rolf Joachim (Richmond, CA)

1998-01-01T23:59:59.000Z

165

Keynote address: cellular reduction of nitroimidazole drugs: potential for selective chemotherapy and diagnosis of hypoxic cells  

SciTech Connect (OSTI)

Nitroimidazole drugs were initially developed as selective radiosensitizers of hypoxic cells and, consequently, as adjuvants to improve the local control probabilities of current radiotherapies. Misonidazole (MISO), the prototype radiosensitizing drug, was found in Phase I clinical studies to cause dose-limiting neurotoxicities (mainly peripheral neuropathies). MISO was also found to be cytotoxic in the absence of radiation and to covalently bind to cellular molecules, both processes demonstrating rates much higher in hypoxic compared with oxygenated cells. It is likely that neurotoxicity, cellular cytotoxicity and adduct formation results from reactions between reduction intermediates of MISO and cellular target molecules. Spin-offs from radiosensitizer research include the synthesis and characterization of more potent hypoxic cytotoxins and the exploitation of sensitizer-adducts as probes for measuring cellular and tissue oxygen levels. Current developments in hypoxic cell cytotoxin and hypoxic cell marker research are reviewed with specific examples from studies which characterize the cellular reduction of TF-MISO, (1-(2-nitro-1-imidazolyl)-3(2,2,2-trifluoroethoxy)-2-propanol). 45 references.

Chapman, J.D.; Lee, J.; Meeker, B.E.

1989-04-01T23:59:59.000Z

166

Orientation isotope effect in ion–molecule reactions  

E-Print Network [OSTI]

are listed in Table II. Kuntz and Roach, 15 using the diatomics-in-molecules technique, have calculated the lowest potential energy surface for the Ar+-Hz system. They found that the Ar+-Hz and Ar-Hi surfaces cross in the entrance val­ ley when... (1969). 14T. F. George and R. J. Suplinskas, J. Chern. Phys. 51, 3666 (1969); ibid. 54, 1037, 1046 (1971). 15p. J. Kuntz and A. C. Roach, J. Chern. Soc. Faraday Trans. 2 68, 259 (1972). 16See, for example, M. J. Henchman, Ion-Molecule Reactions...

Hierl, Peter M.

1977-01-01T23:59:59.000Z

167

Control of charge migration in molecules by ultrashort laser pulses  

E-Print Network [OSTI]

Due to electronic many-body effects, the ionization of a molecule can trigger ultrafast electron dynamics appearing as a migration of the created hole charge throughout the system. Here we propose a scheme for control of the charge migration dynamics with a single ultrashort laser pulse. We demonstrate by fully ab initio calculations on a molecule containing a chromophore and an amine moieties that simple pulses can be used for stopping the charge-migration oscillations and localizing the charge on the desired site of the system. We argue that this control may be used to predetermine the follow-up nuclear rearrangement and thus the molecular reactivity.

Nikolay V. Golubev; Alexander I. Kuleff

2015-02-19T23:59:59.000Z

168

Control of charge migration in molecules by ultrashort laser pulses  

E-Print Network [OSTI]

Due to electronic many-body effects, the ionization of a molecule can trigger ultrafast electron dynamics appearing as a migration of the created hole charge throughout the system. Here we propose a scheme for control of the charge migration dynamics with a single ultrashort laser pulse. We demonstrate by fully ab initio calculations on a molecule containing a chromophore and an amine moieties that simple pulses can be used for stopping the charge-migration oscillations and localizing the charge on the desired site of the system. We argue that this control may be used to predetermine the follow-up nuclear rearrangement and thus the molecular reactivity.

Golubev, Nikolay V

2015-01-01T23:59:59.000Z

169

Subcritical temperature in Bose-Einstein condensates of chiral molecules  

E-Print Network [OSTI]

Bose-Einstein condensation of a sample of non-interacting chiral molecules leads to a non zero optical activity of the condensate and also to a subcritical temperature in the heat capacity. This is due to the internal structure of the molecule which, in our model, is considered as a simple two-state system, characterized by tunneling and parity violation. The predicted singular behavior found for the specific heat, below the condensation temperature, sheds some light on the existence of the so far elusive parity violation energy difference between enantiomers.

Pedro Bargueno; Ricardo Perez de Tudela; Salvador Miret-Artes; Isabel Gonzalo

2010-04-21T23:59:59.000Z

170

Born-Oppenheimer approximation for a harmonic molecule  

E-Print Network [OSTI]

We apply the Born-Oppenheimer approximation to a harmonic diatomic molecule with one electron. We compare the exact and approximate results not only for the internal degrees of freedom but also for the motion of the center of mass. We address the problem of identical nuclei and discuss other applications of the model and its limitations.

Francisco M. Fernandez

2008-10-13T23:59:59.000Z

171

Single Molecule Study of Cellulase Hydrolysis of Crystalline Cellulose  

SciTech Connect (OSTI)

This report seeks to elucidate the role of cellobiohydrolase-I (CBH I) in the hydrolysis of crystalline cellulose. A single-molecule approach uses various imaging techniques to investigate the surface structure of crystalline cellulose and changes made in the structure by CBH I.

Liu, Y.-S.; Luo, Y.; Baker, J. O.; Zeng, Y.; Himmel, M. E.; Smith, S.; Ding, S.-Y.

2009-12-01T23:59:59.000Z

172

Free energy reconstruction from nonequilibrium single-molecule pulling experiments  

E-Print Network [OSTI]

Free energy reconstruction from nonequilibrium single-molecule pulling experiments Gerhard Hummer also drives the system away from equilibrium. Nevertheless, we show how equilibrium free energy of an extension of Jarzynski's remarkable identity between free energies and the irreversible work. Recent

Weeks, Eric R.

173

Molecule-Mimetic Chemistry and Mesoscale Self-Assembly  

E-Print Network [OSTI]

Molecule-Mimetic Chemistry and Mesoscale Self-Assembly NED B. BOWDEN, MARCUS WECK, INSUNG S. CHOI systems. We suggest that it will be possible to develop complex structures composed of "objects" that self-assemble, shape recognition, and size exclusion can be used to guide the self-assembly of these objects

Prentiss, Mara

174

Noise and Bandwidth Performance of Single-Molecule Biosensors  

E-Print Network [OSTI]

Noise and Bandwidth Performance of Single-Molecule Biosensors J. Rosenstein, S. Sorgenfrei, K. L and nanotube field-effect transistors offer different tradeoffs between bandwidth and noise levels. Here, we on force spectroscopy, such as optical tweezers [4] and atomic force microscopy [5]. New electrochemical

Shepard, Kenneth

175

Molecules, muscles, and machines: Universal performance characteristics of motors  

E-Print Network [OSTI]

Molecules, muscles, and machines: Universal performance characteristics of motors James H. Marden, piston engines, electric motors, and all types of jets. Dependence of force production and stress of materials and mechanisms. Organisms and machines move by exerting forces on their external environment

Marden, James

176

Infrared spectroscopy of diatomic molecules - a fractional calculus approach  

E-Print Network [OSTI]

The eigenvalue spectrum of the fractional quantum harmonic oscillator is calculated numerically solving the fractional Schr\\"odinger equation based on the Riemann and Caputo definition of a fractional derivative. The fractional approach allows a smooth transition between vibrational and rotational type spectra, which is shown to be an appropriate tool to analyze IR spectra of diatomic molecules.

Richard Herrmann

2012-12-12T23:59:59.000Z

177

Optical collection efficiency function in single-molecule detection experiments  

E-Print Network [OSTI]

Optical collection efficiency function in single-molecule detection experiments Jo¨ rg Enderlein and W. Patrick Ambrose The optical collection efficiency function for an optical system on a geometrical optics approx- imation are presented. Comparison is made with exact wave optics calculations

Enderlein, Jörg

178

Interacting dark resonances with plasmonic meta-molecules  

SciTech Connect (OSTI)

Dark state physics has led to a variety of remarkable phenomena in atomic physics, quantum optics, and information theory. Here, we investigate interacting dark resonance type physics in multi-layered plasmonic meta-molecules. We theoretically demonstrate that these plasmonic meta-molecules exhibit sub-natural spectral response, analogous to conventional atomic four-level configuration, by manipulating the evanescent coupling between the bright and dark elements (plasmonic atoms). Using cascaded coupling, we show nearly 4-fold reduction in linewidth of the hybridized resonance compared to a resonantly excited single bright plasmonic atom with same absorbance. In addition, we engineered the geometry of the meta-molecules to realize efficient intramolecular excitation transfer with nearly 80%, on resonant excitation, of the total absorption being localized at the second dark plasmonic atom. An analytical description of the spectral response of the structure is presented with full electrodynamics simulations to corroborate our results. Such multilayered meta-molecules can bring a new dimension to higher quality factor plasmonic resonance, efficient excitation transfer, wavelength demultiplexing, and enhanced non-linearity at nanoscale.

Jha, Pankaj K.; Mrejen, Michael; Kim, Jeongmin; Wu, Chihhui; Yin, Xiaobo; Wang, Yuan [NSF Nanoscale Science and Engineering Center (NSEC), 5130 Etcheverry Hall, University of California, Berkeley, California 94720 (United States); Zhang, Xiang, E-mail: xiang@berkeley.edu [NSF Nanoscale Science and Engineering Center (NSEC), 5130 Etcheverry Hall, University of California, Berkeley, California 94720 (United States); Materials Science Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720 (United States)

2014-09-15T23:59:59.000Z

179

Densities and Compressibilities of Chiral Molecules in the Liquid State  

E-Print Network [OSTI]

polarized light into circularly polarized light. #12;Objective · Measure the speed of sound in Limonene 1360 15 20 25 30 35 40 45 50 55 Speed of Sound (m/s) Temperature ( °C) Speed of Sound in LimoneneDensities and Compressibilities of Chiral Molecules in the Liquid State Imelda Hot and Dr. Amer S

Baltisberger, Jay H.

180

aligned hydrogen molecules: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

aligned hydrogen molecules First Page Previous Page 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 Next Page Last Page Topic Index 1 Interference effects in...

Note: This page contains sample records for the topic "antifungal drug molecules" 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

Structure and dynamics of C60 molecules on Au(111)  

SciTech Connect (OSTI)

Earlier studies of C60 adsorption on Au(111) reported many interesting and complex features. We have performed coordinated low-energy electron diffraction, scanning tunneling microscopy (STM), and density functional theory studies to elucidate some of the details of the monolayer commensurate (2?3 × 2?3)R30° phase. We have identified the adsorption geometries of the two states that image as dim and bright in STM. These consist of a C60 molecule with a hexagon side down in a vacancy (hex-vac) and a C60 molecule with a carbon-carbon 6:6 bond down on a top site (6:6-top), respectively. We have studied the detailed geometries of these states and find that there is little distortion of the C60 molecules, but there is a rearrangement of the substrate near the C60 molecules. The two types of molecules differ in height, by about 0.7 Ĺ, which accounts for most of the difference in their contrast in the STM images. The monolayer displays dynamical behavior, in which the molecules flip from bright to dim, and vice versa. We interpret this flipping as the result of the diffusion of vacancies in the surface layers of the substrate. Our measurements of the dynamics of this flipping from one state to the other indicate that the activation energy is 0.66 ± 0.03 eV for flips that involve nearest-neighbor C60 molecules, and 0.93 ± 0.03 for more distant flips. Based on calculated activation energies for vacancies diffusing in Au, we interpret these to be a result of surface vacancy diffusion and bulk vacancy diffusion. These results are compared to the similar system of Ag(111)-(2?3 × 2?3)R30°-C60. In both systems, the formation of the commensurate C60 monolayer produces a large number of vacancies in the top substrate layer that are highly mobile, effectively melting the interfacial metal layer at temperatures well below their normal melting temperatures.

Shin, Heekeun [Penn State University; Schwarze, A [Penn State University; Diehl, R D [Penn State University; Pussi, K [Lappeenranta University of Technology; Colombier, A [Universite de Lorraine; Gaudry, E. [Universite de Lorraine; Ledieu, J [Universite de Lorraine; McGuirk, G M [Universite de Lorraine; Serkovic Loli, L N [Universite de Lorraine; Fournee, V [Universite de Lorraine; Wang, Lin-Lin [Ames Laboratory; Schull, G [Universite de Strasbourg; Berndt, R [Christian-Albrechts-Universitt zu Kiel

2014-06-01T23:59:59.000Z

182

Modeling oxaliplatin drug delivery to circadian rhythms in drug metabolism and host tolerance  

E-Print Network [OSTI]

period) time-scheduled regimens for cytotoxic drug delivery by intravenous infusion, a pharmacokinetic constant infusion of the same daily dose, when the biological time of peak infusion is correctly chosen. Furthermore, it is well adapted to using mathematical optimization methods of drug infusion flow, choosing

Clairambault, Jean

183

Rethinking drug policy: an integrity preserving compromise position  

E-Print Network [OSTI]

Definition of Drug Types?????????????...??.. 4 2 Definition of Drug Scheduling??????????????. 5 1 CHAPTER I INTRODUCTION TO STATUS QUO DRUG POLICY The issue of how to properly regulate the use of illegal.... Legalizers are those who would make legal all currently illegal drugs. The most 3 common middle stance is that of harm reduction, which is ?an alternative approach to drug policy and treatment that focuses on minimizing the adverse effects of both...

Crispino, Azzurra

2006-10-30T23:59:59.000Z

184

Single molecule thermodynamics of ATP synthesis by F$_1$-ATPase  

E-Print Network [OSTI]

F$_\\mathrm{o}$F$_1$-ATP synthase is a factory for synthesizing ATP in virtually all cells. Its core machinery is the subcomplex F$_1$-motor (F$_1$-ATPase) and performs the reversible mechanochemical coupling. Isolated F$_1$-motor hydrolyzes ATP, which is accompanied by unidirectional rotation of its central $\\gamma$-shaft. When a strong opposing torque is imposed, the $\\gamma$-shaft rotates in the opposite direction and drives the F$_1$-motor to synthesize ATP. This mechanical-to-chemical free-energy transduction is the final and central step of the multistep cellular ATP-synthetic pathway. Here, we determined the amount of mechanical work exploited by the F$_1$-motor to synthesize an ATP molecule during forced rotations using methodology combining a nonequilibrium theory and single molecule measurements of responses to external torque. We found that the internal dissipation of the motor is negligible even during rotations far from a quasistatic process.

Shoichi Toyabe; Eiro Muneyuki

2015-01-16T23:59:59.000Z

185

Apparatus and method of determining molecular weight of large molecules  

DOE Patents [OSTI]

A mass spectrometer determines the mass of multiply charged high molecular weight molecules. This spectrometer utilizes an ion detector which is capable of simultaneously measuring the charge z and transit time of a single ion as it passes through the detector. From this transit time, the velocity of the single ion may then be derived, thus providing the mass-to-charge ratio m/z for a single ion which has been accelerated through a known potential. Given z and m/z, the mass m of the single ion can then be calculated. Electrospray ions with masses in excess of 1 MDa and charge numbers greater than 425 e.sup.- are readily detected. The on-axis single ion detection configuration enables a duty cycle of nearly 100% and extends the practical application of electrospray mass spectrometry to the analysis of very large molecules with relatively inexpensive instrumentation.

Fuerstenau, Stephen (Montrose, CA); Benner, W. Henry (Danville, CA); Madden, Norman (Livermore, CA); Searles, William (Fremont, CA)

1998-01-01T23:59:59.000Z

186

Apparatus and method of determining molecular weight of large molecules  

DOE Patents [OSTI]

A mass spectrometer determines the mass of multiply charged high molecular weight molecules. This spectrometer utilizes an ion detector which is capable of simultaneously measuring the charge z and transit time of a single ion as it passes through the detector. From this transit time, the velocity of the single ion may then be derived, thus providing the mass-to-charge ratio m/z for a single ion which has been accelerated through a known potential. Given z and m/z, the mass m of the single ion can then be calculated. Electrospray ions with masses in excess of 1 MDa and charge numbers greater than 425 e{sup {minus}} are readily detected. The on-axis single ion detection configuration enables a duty cycle of nearly 100% and extends the practical application of electrospray mass spectrometry to the analysis of very large molecules with relatively inexpensive instrumentation. 14 figs.

Fuerstenau, S.; Benner, W.H.; Madden, N.M.; Searles, W.

1998-06-23T23:59:59.000Z

187

Single molecule imaging with longer x-ray laser pulses  

E-Print Network [OSTI]

In serial femtosecond crystallography, x-ray laser pulses do not need to outrun all radiation damage processes because Bragg diffraction exceeds the damage-induced background scattering for longer pulses ($\\sim$ 50--100 fs). This is due to a "self-gating pulse" effect whereby damage terminates Bragg diffraction prior to the pulse completing its passage through the sample, as if that diffraction were produced by a shorter pulse of equal fluence. We show here that a similar gating effect applies to single molecule diffraction with respect to spatially uncorrelated damage processes like ionization and ion diffusion. The effect is clearly seen in calculations of the diffraction contrast, by calculating the diffraction of average structure separately to the diffraction from statistical fluctuations of the structure due to damage ("damage noise"). Our results suggest that sub-nanometer single molecule imaging with longer pulses, like those produced at currently operating facilities, should not yet be ruled out. The...

Martin, Andrew V; Caleman, Carl; Quiney, Harry M

2015-01-01T23:59:59.000Z

188

Using Coupled Harmonic Oscillators to Model Some Greenhouse Gas Molecules  

SciTech Connect (OSTI)

Common greenhouse gas molecules SF{sub 6}, NO{sub 2}, CH{sub 4}, and CO{sub 2} are modeled as harmonic oscillators whose potential and kinetic energies are derived. Using the Euler-Lagrange equation, their equations of motion are derived and their phase portraits are plotted. The authors use these data to attempt to explain the lifespan of these gases in the atmosphere.

Go, Clark Kendrick C.; Maquiling, Joel T. [Department of Physics, Ateneo de Manila University, Katipunan Avenue, Quezon City (Philippines)

2010-07-28T23:59:59.000Z

189

Density Functional Theory with Dissipation: Transport through Single Molecules  

SciTech Connect (OSTI)

A huge amount of fundamental research was performed on this grant. Most of it focussed on fundamental issues of electronic structure calculations of transport through single molecules, using density functional theory. Achievements were: (1) First density functional theory with dissipation; (2) Pseudopotential plane wave calculations with master equation; (3) Weak bias limit; (4) Long-chain conductance; and (5) Self-interaction effects in tunneling.

Kieron Burke

2012-04-30T23:59:59.000Z

190

Geographical Variation in Selection, from Phenotypes to Molecules  

E-Print Network [OSTI]

vol. 167, no. 4 the american naturalist april 2006 #1; Geographical Variation in Selection, from Phenotypes to Molecules John K. Kelly* Department of Ecology and Evolutionary Biology, University of Kansas, Lawrence, Kansas 66045 Submitted June 6...- nomic regions that harbor important loci, those respon- 488 The American Naturalist Figure 4: Fraction of ZnS values that reject neutrality as a function of for different parameter combinations of the two-deme model withV /VG n asymmetric migration...

Kelly, John K.

2006-04-01T23:59:59.000Z

191

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

192

Dynamics of Confined Water Molecules in Aqueous Salt Hydrates  

SciTech Connect (OSTI)

The unusual properties of water are largely dictated by the dynamics of the H bond network. A single water molecule has more H bonding sites than atoms, hence new experimental and theoretical investigations about this peculiar liquid have not ceased to appear. Confinement of water to nanodroplets or small molecular clusters drastically changes many of the liquid’s properties. Such confined water plays a major role in the solvation of macro molecules such as proteins and can even be essential to their properties. Despite the vast results available on bulk and confined water, discussions about the correlation between spectral and structural properties continue to this day. The fast relaxation of the OH stretching vibration in bulk water, and the variance of sample geometries in the experiments on confined water obfuscate definite interpretation of the spectroscopic results in terms of structural parameters. We present first time-resolved investigations on a new model system that is ideally suited to overcome many of the problems faced in spectroscopical investigation of the H bond network of water. Aqueous hydrates of inorganic salts provide water molecules in a crystal grid, that enables unambiguous correlations of spectroscopic and structural features. Furthermore, the confined water clusters are well isolated from each other in the crystal matrix, so different degrees of confinement can be achieved by selection of the appropriate salt.

Werhahn, Jasper C.; Pandelov, S.; Yoo, Soohaeng; Xantheas, Sotiris S.; Iglev, H.

2011-04-01T23:59:59.000Z

193

Complex organic molecules in protostellar environments in the SKA era  

E-Print Network [OSTI]

Molecular complexity builds up at each step of the Sun-like star formation process, starting from simple molecules and ending up in large polyatomic species. Complex organic molecules (COMs; such as methyl formate, HCOOCH$_3$, dymethyl ether, CH$_3$OCH$_3$, formamide, NH$_2$CHO, or glycoaldehyde, HCOCH$_2$OH) are formed in all the components of the star formation recipe (e.g. pre-stellar cores, hot-corinos, circumstellar disks, shocks induced by fast jets), due to ice grain mantle sublimation or sputtering as well as gas-phase reactions. Understanding in great detail the involved processes is likely the only way to predict the ultimate molecular complexity reached in the ISM, as the detection of large molecules is increasingly more difficult with the increase of the number of atoms constituting them. Thanks to the recent spectacular progress of astronomical observations, due to the Herschel (sub-mm and IR), IRAM and SMA (mm and sub-mm), and NRAO (cm) telescopes, an enormous activity is being developed in the ...

Codella, C; Fontani, F; Jiménez-Serra, I; Caselli, P; Ceccarelli, C; Palumbo, M E; López-Sepulcre, A; Beltrán, M T; Lefloch, B; Brucato, J R; Viti, S; Testi, L

2014-01-01T23:59:59.000Z

194

Drug smuggling safety tests [July 1, 2006  

E-Print Network [OSTI]

enough to be utilized as drug carriers. Suslick adds that the three tests on mammalian cells they carried evidence of nano safety Login | Register Search: Site X-Ray Page 1 of 2X-Ray - Your Guide to All the Key X About Us | Contact Us | Privacy Policy | Terms & Conditions | Advertising | RSS Interested

Suslick, Kenneth S.

195

Quantum Monte Carlo Calculations Applied to Magnetic Molecules  

SciTech Connect (OSTI)

We have calculated the equilibrium thermodynamic properties of Heisenberg spin systems using a quantum Monte Carlo (QMC) method. We have used some of these systems as models to describe recently synthesized magnetic molecules, and-upon comparing the results of these calculations with experimental data-have obtained accurate estimates for the basic parameters of these models. We have also performed calculations for other systems that are of more general interest, being relevant both for existing experimental data and for future experiments. Utilizing the concept of importance sampling, these calculations can be carried out in an arbitrarily large quantum Hilbert space, while still avoiding any approximations that would introduce systematic errors. The only errors are statistical in nature, and as such, their magnitudes are accurately estimated during the course of a simulation. Frustrated spin systems present a major challenge to the QMC method, nevertheless, in many instances progress can be made. In this chapter, the field of magnetic molecules is introduced, paying particular attention to the characteristics that distinguish magnetic molecules from other systems that are studied in condensed matter physics. We briefly outline the typical path by which we learn about magnetic molecules, which requires a close relationship between experiments and theoretical calculations. The typical experiments are introduced here, while the theoretical methods are discussed in the next chapter. Each of these theoretical methods has a considerable limitation, also described in Chapter 2, which together serve to motivate the present work. As is shown throughout the later chapters, the present QMC method is often able to provide useful information where other methods fail. In Chapter 3, the use of Monte Carlo methods in statistical physics is reviewed, building up the fundamental ideas that are necessary in order to understand the method that has been used in this work. With these ideas in hand, we then provide a detailed explanation of the current QMC method in Chapter 4. The remainder of the thesis is devoted to presenting specific results: Chapters 5 and 6 contain articles in which this method has been used to answer general questions that are relevant to broad classes of systems. Then, in Chapter 7, we provide an analysis of four different species of magnetic molecules that have recently been synthesized and studied. In all cases, comparisons between QMC calculations and experimental data allow us to distinguish a viable microscopic model and make predictions for future experiments. In Chapter 8, the infamous ''negative sign problem'' is described in detail, and we clearly indicate the limitations on QMC that are imposed by this obstacle. Finally, Chapter 9 contains a summary of the present work and the expected directions for future research.

Larry Engelhardt

2006-08-09T23:59:59.000Z

196

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

SciTech Connect (OSTI)

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

197

A distribution-based method to resolve single-molecule Förster resonance energy transfer observations  

E-Print Network [OSTI]

We introduce a new approach to analyze single-molecule Förster resonance energy transfer (FRET) data. The method recognizes that FRET efficiencies assumed by traditional ensemble methods are unobservable for single molecules. ...

Backovi?, Mihailo; Price, E. Shane; Johnson, Carey K.; Ralston, John P.

2011-04-12T23:59:59.000Z

198

UHV-TERS TERS in air Characterization of dye molecules and carbon  

E-Print Network [OSTI]

UHV-TERS TERS in air Characterization of dye molecules and carbon nanostructures by tip visible with confocal Raman spectroscopy. We present confocal Raman and TERS spectra of dye molecules

Nabben, Reinhard

199

E-Print Network 3.0 - all-electrical molecule-mesoscopic interface...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

molecule-mesoscopic interface Page: << < 1 2 3 4 5 > >> 1 Robert J. Schoelkopf Curriculum Vitae Summary: , All-electrical, Molecule- Mesoscopic Interface," A. Andre, D. DeMille,...

200

DNA ruler : enhancing nanopore sizing resolution by multiple measurements on the same DNA molecule  

E-Print Network [OSTI]

Nanopores are versatile sensors for label-free detection of single molecules and particles that have attracted attention for applications such as DNA sequencing and nanoparticle analysis. Detection of single molecules or ...

Sen, Yi-Heng

2012-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "antifungal drug molecules" 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

229 nm UV Photochemical Degradation of Energetic Molecules Luling Wang, David Tuschel, Sanford A. Asher*  

E-Print Network [OSTI]

229 nm UV Photochemical Degradation of Energetic Molecules Luling Wang, David Tuschel, Sanford A photochemical degradation of energetic molecules upon UV resonance Raman (UVRR) excitation of the 229 nm UVRR degradation quantum yields of UV resonance Raman, photodegradation, explosive detection

Asher, Sanford A.

202

Targeting of nanoparticles to cell adhesion molecules for potential immune therapy  

E-Print Network [OSTI]

Cell adhesion molecules including leukocyte function associated antigen-1 (LFA-1) and intercellular adhesion molecule-1 (ICAM-1) play an important role in regulating inflammatory responses. For circulating leukocytes to ...

Chittasupho, Chuda

2010-12-10T23:59:59.000Z

203

Alignment strategies for drug product process development and manufacturing  

E-Print Network [OSTI]

The transfer of information between the drug product development and manufacturing organizations is fundamental to drug product commercialization. This information is used to characterize the product-process interaction ...

Garvin, Christopher John

2012-01-01T23:59:59.000Z

204

Topo II: An Enzyme Target for Antibacterial and Cancer Drugs  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Topo II: An Enzyme Target for Antibacterial and Cancer Drugs Topo II: An Enzyme Target for Antibacterial and Cancer Drugs Print Wednesday, 27 February 2008 00:00 The veil has...

205

Microneedle delivery for improved efficacy of antiretroviral and antibiotic drugs  

E-Print Network [OSTI]

Two classes of drugs, antiretrovirals and antibiotics, could benefit greatly from delivery through microneedles. Microneedles (MN) offer an increase in efficacy for these drugs by providing delivery to the lymphatic system ...

Stauber, Zachary Jason

2012-01-01T23:59:59.000Z

206

Research paper Drug diffusion and binding in ionizable interpenetrating networks  

E-Print Network [OSTI]

Research paper Drug diffusion and binding in ionizable interpenetrating networks from poly) (PVA), poly(acrylic acid) (PAA), and their interpenetrating networks (IPNs) were prepared using by measuring their equilibrium polymer volume fraction, equilibrium swelling ratio, and mesh size. Drug

Peppas, Nicholas A.

207

High throughput optical sensor arrays for drug screening  

E-Print Network [OSTI]

In the world of drug discovery, high throughput whole cell assays are a critical step in discovering therapeutically relevant drug compounds [1]. This report details the development of several novel sensor systems capable ...

Harjes, Daniel I

2006-01-01T23:59:59.000Z

208

Luminal flow amplifies stent-based drug deposition in arterial  

E-Print Network [OSTI]

Background: Treatment of arterial bifurcation lesions using drug-eluting stents (DES) is now common clinical practice and yet the mechanisms governing drug distribution in these complex morphologies are incompletely ...

Levine, Evan G.

209

Specific and general binding in arterial drug delivery  

E-Print Network [OSTI]

Drug-eluting stents have emerged as the most effective method for treating restenosis following percutaneous coronary interventions. This thesis investigates how drugs with similar physiochemical properties but different ...

Levin, Andrew D. (Andrew David), 1976-

2005-01-01T23:59:59.000Z

210

Attitudes toward the integration of smoking cessation treatment into drug abuse clinics.  

E-Print Network [OSTI]

Direct Care Workforce in the National Drug Abuse Treatmentdependence treatment into drug abuse care reduces thesecare settings but not yet in independent drug abuse treatment

2007-01-01T23:59:59.000Z

211

E-Print Network 3.0 - arv drug patents Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Drug ad (intrinsic bias) Summary: Drug Information Chart Notes Drug ad (intrinsic bias) Trade name Different for each company... country Generic name Non proprietary, same...

212

E-Print Network 3.0 - anticancer drug levels Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Chemistry 7 Oxford University Press 2005 1 Discovering drug interactions: a text-mining and reasoning ap- Summary: is responsible for metabol- ism of drug B. Such drug...

213

E-Print Network 3.0 - anticancer drug topotecan Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

significant drug-drug interactions be- tween oral anticancer agents and nonanti-cancer agents... Oxford University Press 2005 1 Category Discovering drug interactions: a...

214

E-Print Network 3.0 - anticancer drug combretastatin-a2 Sample...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

significant drug-drug interactions be- tween oral anticancer agents and nonanti-cancer agents... Oxford University Press 2005 1 Category Discovering drug interactions: a...

215

E-Print Network 3.0 - anticancer drug oracin Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

significant drug-drug interactions be- tween oral anticancer agents and nonanti-cancer agents... Oxford University Press 2005 1 Category Discovering drug interactions: a...

216

E-Print Network 3.0 - anticancer drugs mitoxantrone Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

significant drug-drug interactions be- tween oral anticancer agents and nonanti-cancer agents... Oxford University Press 2005 1 Category Discovering drug interactions: a...

217

E-Print Network 3.0 - anticancer drug roscovitine Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

significant drug-drug interactions be- tween oral anticancer agents and nonanti-cancer agents... Oxford University Press 2005 1 Category Discovering drug interactions: a...

218

E-Print Network 3.0 - anticancer drug mitoxantrone Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

significant drug-drug interactions be- tween oral anticancer agents and nonanti-cancer agents... Oxford University Press 2005 1 Category Discovering drug interactions: a...

219

E-Print Network 3.0 - antiretroviral drugs arvs Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

(ARV) drugs except... . Assessment of a pilot antiretroviral drug therapy programme in Uganda: patients' response, survival, and drug... 1 Early loss to program in HIV-infected ......

220

E-Print Network 3.0 - analyzing drug combination Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

, Saadat Anwar2 , Shanshan Liang2... : Identifying drug-drug interactions is a critical process in drug administration and ... Source: Baral, Chitta - Department of Computer...

Note: This page contains sample records for the topic "antifungal drug molecules" 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.


221

E-Print Network 3.0 - antiviral drug resistance Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Opin Emerg Drugs . Author manuscript Emerging drugs for hepatitis B Summary: and to design new trials of combination therapy to delay drug resistance. In the future, antiviral...

222

PET IMAGING STUDIES IN DRUG ABUSE RESEARCH.  

SciTech Connect (OSTI)

There is overwhelming evidence that addiction is a disease of the brain (Leshner, 1997). Yet public perception that addiction is a reflection of moral weakness or a lack of willpower persists. The insidious consequence of this perception is that we lose sight of the fact that there are enormous medical consequences of addiction including the fact that a large fraction of the total deaths from cancer and heart disease are caused by smoking addiction. Ironically the medical school that educates physicians in addiction medicine and the cancer hospital that has a smoking cessation clinic are vanishingly rare and efforts at harm reduction are frequently met with a public indignation. Meanwhile the number of people addicted to substances is enormous and increasing particularly the addictions to cigarettes and alcohol. It is particularly tragic that addiction usually begins in adolescence and becomes a chronic relapsing problem and there are basically no completely effective treatments. Clearly we need to understand how drugs of abuse affect the brain and we need to be creative in using this information to develop effective treatments. Imaging technologies have played a major role in the conceptualization of addiction as a disease of the brain (Fowler et al., 1998a; Fowler et al., 1999a). New knowledge has been driven by advances in radiotracer design and chemistry and positron emission tomography (PET) instrumentation and the integration of these scientific tools with the tools of biochemistry, pharmacology and medicine. This topic cuts across the medical specialties of neurology, psychiatry, cancer and heart disease because of the high medical, social and economic toll that drugs of abuse, including and especially the legal drugs, cigarettes and alcohol, take on society. In this chapter we will begin by highlighting the important role that chemistry has played in making it possible to quantitatively image the movement of drugs as well as their effects on the human brain. This will be followed by highlights of PET studies of the acute effects of the psychostimulant drugs cocaine and methylphenidate (ritalin) and studies of the chronic effects of cocaine and of tobacco smoke on the human brain. This chapter concludes with the description of a study which uses brain imaging coupled with a specific pharmacological challenge to address the age-old question of why some people who experiment with drugs become addicted while others do not.

Fowler, J.S.; Volkow, N.D.; Ding, Y.S.; Logan, J.; Wang, G.J.

2001-01-29T23:59:59.000Z

223

Proper Usage of Drugs and Chemicals in Food Animals  

E-Print Network [OSTI]

of omission or commission, violative residues in livestock and poultry (by irresponsible and illegal distribution and use of drugs) violates state and federal laws. When FSIS inspectors detect violative drug residues in food products derived from ani- mals... quality ani- mal food products. Extra-label distribution, prescription and use of veterinary drugs in food producing animals are reg- ulated by FDA. The FDA policy requires all extra- label drug usage to be under the control of a licensed veterinarian...

Faries Jr., Floron C.

2002-02-15T23:59:59.000Z

224

PHYSICAL REVIEW A 87, 012703 (2013) Feshbach-molecule formation in a Bose-Fermi mixture  

E-Print Network [OSTI]

-degenerate Fermi gas of polar molecules would be an important step toward achieving novel quantum phases of matter molecules with a conversion efficiency as high as 45%. In the limit of fast magnetic sweeps and small of bosonic molecules from either Bose or Fermi gases. However, for quantum degenerate atom gas mixtures, we

Jin, Deborah

225

GENTLE IONISATION AND VIOLENT BREAK-UP OF MOLECULES USING SOFT X-RAYS  

E-Print Network [OSTI]

GENTLE IONISATION AND VIOLENT BREAK-UP OF MOLECULES USING SOFT X-RAYS Bhas Bapat PRL, Ahmedabad RRCAT Indore, June 2012 BHAS BAPAT (PRL, AHMEDABAD) BREAK-UP OF MOLECULES USING SOFT X-RAYS RRCAT INDORE INVESTIGATED RECENT RESULTS BHAS BAPAT (PRL, AHMEDABAD) BREAK-UP OF MOLECULES USING SOFT X-RAYS RRCAT INDORE

Bapat, Bhas

226

AB INITIO MOLECULAR-DYNAMICS SIMULATIONS OF DYE MOLECULES ON SURFACES  

E-Print Network [OSTI]

AB INITIO MOLECULAR-DYNAMICS SIMULATIONS OF DYE MOLECULES ON SURFACES M. SUGIHARA1 , H. MEYER2 , P, Austria We have performed ab initio total energy calculations and molecular-dynamics sim- ulations of dye molecules on NaCl(100) surfaces and in water. The flat dye molecule trimethine, [C19H17N2O2]+, which forms

Entel, P.

227

AB INITIO MOLECULARDYNAMICS SIMULATIONS OF ADSORPTION OF DYE MOLECULES AT SURFACES  

E-Print Network [OSTI]

AB INITIO MOLECULAR­DYNAMICS SIMULATIONS OF ADSORPTION OF DYE MOLECULES AT SURFACES M. SUGIHARA, H­mail:theobuss@uni­duisburg.de We present results of ab initio total energy calculations and molecular­dynamics simulations of dye molecules on the NaCl(100) surface. The investigations concentrate on the flat dye molecules trimethin, [C

Entel, P.

228

Alignment of molecules in gaseous transport: Alkali dimers in supersonic nozzle beams  

E-Print Network [OSTI]

Alignment of molecules in gaseous transport: Alkali dimers in supersonic nozzle beams M. P. SinhaO) + a.P lcosO), where 0 is the angle between the angular momentum vector J of the molecule and the beam direction. This method is applied to determine the alignment of Na2 molecules in a supersonic nozzle beam

Zare, Richard N.

229

Relativistic density functional theory modeling of plutonium and americium higher oxide molecules  

E-Print Network [OSTI]

Relativistic density functional theory modeling of plutonium and americium higher oxide molecules of plutonium and americium higher oxide molecules Andréi Zaitsevskii,1,2,a) Nikolai S. Mosyagin,2,3 Anatoly V of plutonium and americium higher oxide molecules (actinide oxidation states VI through VIII) by two

Titov, Anatoly

230

Cationic Hyperbranched Poly(amino ester): A Novel Class of DNA Condensing Molecule with Cationic  

E-Print Network [OSTI]

molecules.3 It is generally accepted that the high transfection efficiency of PEI or PAMAM comparedCationic Hyperbranched Poly(amino ester): A Novel Class of DNA Condensing Molecule with Cationic to utilize these highly branched molecules in a variety of applications involving combinatorial chemistry

Park, Jong-Sang

231

Molecular Design of Branched and Binary Molecules at Ordered Interfaces  

SciTech Connect (OSTI)

This study examined five different branched molecular architectures to discern the effect of design on the ability of molecules to form ordered structures at interfaces. Photochromic monodendrons formed kinked packing structures at the air-water interface due to the cross-sectional area mismatch created by varying number of alkyl tails and the hydrophilic polar head group. The lower generations formed orthorhombic unit cell with long range ordering despite the alkyl tails tilted to a large degree. Favorable interactions between liquid crystalline terminal groups and the underlying substrate were observed to compel a flexible carbosilane dendrimer core to form a compressed elliptical conformation which packed stagger within lamellae domains with limited short range ordering. A twelve arm binary star polymer was observed to form two dimensional micelles at the air-water interface attributed to the higher polystyrene block composition. Linear rod-coil molecules formed a multitude of packing structures at the air-water interface due to the varying composition. Tree-like rod-coil molecules demonstrated the ability to form one-dimensional structures at the air-water interface and at the air-solvent interface caused by the preferential ordering of the rigid rod cores. The role of molecular architecture and composition was examined and the influence chemically competing fragments was shown to exert on the packing structure. The amphiphilic balance of the different molecular series exhibited control on the ordering behavior at the air-water interface and within bulk structures. The shell nature and tail type was determined to dictate the preferential ordering structure and molecular reorganization at interfaces with the core nature effect secondary.

Kirsten Larson Genson

2005-12-27T23:59:59.000Z

232

Model-Based Dependability Analysis of Programmable Drug Infusion Pumps  

E-Print Network [OSTI]

Model-Based Dependability Analysis of Programmable Drug Infusion Pumps Sriram Sankaranarayanan.lastname@colorado.edu Abstract. Infusion pumps are commonly used in home/hospital care to inject drugs into a patient a case-study involving an infusion pump used to manage pain through the infusion of analgesic drugs

Sankaranarayanan, Sriram

233

Drug-Free Federal Workplace Testing Implementation Program  

Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

The order provides guidance and policy for the administration, application and implementation of the DOE Drug-free Federal Workplace Plan and other regulations that facilitate the maintenance of a drug-free Federal workplace through the establishment of programs to test for the use of illegal drugs. Chg 1, dated 8-21-92

1988-07-29T23:59:59.000Z

234

Vacuum ultraviolet photoionization and photodissociation of polyatomic molecules and radicals  

SciTech Connect (OSTI)

In the past decade, tremendous progress has been made in understanding the photodissociation (PD) dynamics of triatomic molecules. However, the PD study of radicals, especially polyatomic radicals, has remained essentially an unexplored research area. Detailed state-to-state PD cross sections for radicals in the UV and VUV provide challenges not only for dynamical calculations, but also for ab initio quantum chemical studies. The authors have developed a laser based pump-probe apparatus for the measurement of absolute PD cross sections for CH{sub 3}S and HS is summarized.

Ng, C.Y. [Iowa State Univ., Ames (United States)

1993-12-01T23:59:59.000Z

235

Spectroscopic and dynamical studies of highly energized small polyatomic molecules  

SciTech Connect (OSTI)

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

236

Numerically Solvable Model for Resonant Collisions of Electronswith Diatomic Molecules  

SciTech Connect (OSTI)

We describe a simple model for electron-molecule collisions that has one nuclear and one electronic degree of freedom and that can be solved to arbitrarily high precision, without making the Born-Oppenheimer approximation, by employing a combination of the exterior complex scaling method and a finite-element implementation of the discrete variable representation. We compare exact cross sections for vibrational excitation and dissociative attachment with results obtained using the local complex potential approximation as commonly applied in the ''boomerang'' model, and suggest how this two-dimensional model can be used to test the underpinnings of contemporary nonlocal approximations to resonant collisions.

Houfek, Karel; Rescigno, T.N.; McCurdy, C.W.

2006-01-27T23:59:59.000Z

237

Energy states of some diatomic molecules: Exact quantization rule approach  

E-Print Network [OSTI]

In this study, we obtain the approximate analytical solutions of the radial Schr\\"{o}dinger equation for the Deng-Fan diatomic molecular potential by using exact quantization rule approach. The wave functions have been expressed by hypergeometric functions via the functional analysis approach. An extension to rotational-vibrational energy eigenvalues of some diatomic molecules are also presented. It is shown that the calculated energy levels are in good agreement with the ones obtained previously $E_{n\\ell}-D$ (shifted Deng-Fan).

Falaye, Babatunde J; Hamzavi, Majid

2015-01-01T23:59:59.000Z

238

Stimulated emission of ultraviolet radiation by vapors of complex molecules  

SciTech Connect (OSTI)

Lasing was observed in vapors of new organic compounds: para-terphenyl, 2-phenylbenzoxazole, 2-(n-tolyl) benzoxazole, 2-(n-methoxyphenyl) benzoxazole, 2-(n-dimethylaminophenyl) benzoxazole, 2-biphenylbenzoxazole, 2-(..cap alpha..-naphthyl) benzoxazole, and also 1,4-di(n-phenylethynyl) benzole, and para-quaterphenyl pumped transversely by XeCl excimer laser radiation at lambda/sub p/ = 308 nm. The lasing bands without tuning covered the 330--370 nm range. The shortest-wavelength maximum (333.5 nm) was observed for 2-(n-methoxyphenyl) benzoxazole. An analysis was made of the lasing ability of the molecules.

Barkova, L.A.; Gruzinskii, V.V.; Danilova, V.I.; Degtyarenko, K.M.; Kopylova, T.N.; Kuznetsov, A.L.

1981-08-01T23:59:59.000Z

239

Models from Big Molecules Captured in a Flash  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest Regionat Cornell Batteries & Fuel CellsModels from Big Molecules

240

Selective laser excitation of oriented molecules in polymer matrices  

SciTech Connect (OSTI)

The features of the fine-structure spectra and polarization fluorescence were studied in selective laser excitation of molecules imbedded in orienting polyethylene (PE) films in this article. Hydroxy derivatives of 9,10-anthraquinone, naphthoquinone, thioindigo and some porphyrins were investigated. The studies were conducted at a temperature of 4.2 K on a DFS-24 spectrometer. Fluorescence was excited by radiation from a tunable dye laser in the region of the purely electron transition. The halfwidth of the exciting laser line was approximately 1 A. The compounds studied exhibit emission band spectra even at 4.2 K with normal excitation in the PE matrices.

Nekrasov, V.V.; Nurmukhametov, R.N.; Starukhin, A.S.; Stanishevskii, I.V.; Shigorin, D.N.; Shul'ga, A.M.

1987-06-01T23:59:59.000Z

Note: This page contains sample records for the topic "antifungal drug molecules" 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

Aerosolized Delivery of Antifungal Agents  

E-Print Network [OSTI]

toxicities, such as cough, which is a common adverse effecttension, can greatly influence the occurrence of cough.Induction of cough can occur when the osmolality is less

Le, Jennifer; Schiller, Daryl S.

2010-01-01T23:59:59.000Z

242

Targeted drug delivery by novel polymer-drug conjugates containing linkers cleavable by disease-associated enzymes  

E-Print Network [OSTI]

We have conceptualized a new class of polymer-linker-drug conjugates to achieve targeted drug delivery for the systemic treatment of cancer and other inflammatory diseases. The physiochemical properties of the polymer allow ...

Chau, Ying

2005-01-01T23:59:59.000Z

243

Optically generated ultrasound for enhanced drug delivery  

DOE Patents [OSTI]

High frequency acoustic waves, analogous to ultrasound, can enhance the delivery of therapeutic compounds into cells. The compounds delivered may be chemotherapeutic drugs, antibiotics, photodynamic drugs or gene therapies. The therapeutic compounds are administered systemically, or preferably locally to the targeted site. Local delivery can be accomplished through a needle, cannula, or through a variety of vascular catheters, depending on the location of routes of access. To enhance the systemic or local delivery of the therapeutic compounds, high frequency acoustic waves are generated locally near the target site, and preferably near the site of compound administration. The acoustic waves are produced via laser radiation interaction with an absorbing media and can be produced via thermoelastic expansion, thermodynamic vaporization, material ablation, or plasma formation. Acoustic waves have the effect of temporarily permeabilizing the membranes of local cells, increasing the diffusion of the therapeutic compound into the cells, allowing for decreased total body dosages, decreased side effects, and enabling new therapies.

Visuri, Steven R. (Livermore, CA); Campbell, Heather L. (Baltimore, MD); Da Silva, Luiz (Danville, CA)

2002-01-01T23:59:59.000Z

244

From the Frontlines to the Bottom Line: Medical Marijuana, the War on Drugs, and the Drug Policy Reform Movement  

E-Print Network [OSTI]

reputation-2009-2). Carter, Jimmy. 1977. “Drug Abuse Messagea presidential candidate in 1976, Jimmy Carter even adopted

Heddleston, Thomas Reed

2012-01-01T23:59:59.000Z

245

DEUTERATED MOLECULES IN ORION KL FROM HERSCHEL/HIFI  

SciTech Connect (OSTI)

We present a comprehensive study of the deuterated molecules detected in the fullband HIFI survey of the Orion Kleinmann-Low nebula (Orion KL) region. Ammonia, formaldehyde, and methanol and their singly deuterated isotopologues are each detected through numerous transitions in this survey with a wide range in optical depths and excitation conditions. In conjunction with a recent study of the abundance of HDO and H{sub 2}O in Orion KL, this study yields the best constraints on deuterium fractionation in an interstellar molecular cloud to date. As previous studies have found, both the Hot Core and Compact Ridge regions within Orion KL contain significant abundances of deuterated molecules, suggesting an origin in cold grain mantles. In the Hot Core, we find that ammonia is roughly a factor of two more fractionated than water. In the Compact Ridge, meanwhile, we find similar deuterium fractionation in water, formaldehyde, and methanol, with D/H ratios of (2-8) × 10{sup –3}. The [CH{sub 2}DOH]/[CH{sub 3}OD] ratio in the Compact Ridge is found to be 1.2 ± 0.3. The Hot Core generally has lower deuterium fractionation than the Compact Ridge, suggesting a slightly warmer origin, or a greater contribution from warm gas phase chemistry.

Neill, Justin L.; Crockett, Nathan R.; Bergin, Edwin A. [Department of Astronomy, University of Michigan, 500 Church Street, Ann Arbor, MI 48109 (United States); Pearson, John C. [Jet Propulsion Laboratory, Caltech, Pasadena, CA 91109 (United States); Xu, Li-Hong, E-mail: jneill@umich.edu [Department of Physics, Centre for Laser, Atomic, and Molecular Studies (CLAMS), University of New Brunswick, Saint John, New Brunswick E2L 4L5 (Canada)

2013-11-10T23:59:59.000Z

246

Electric dipole moments of nanosolvated acid molecules in water clusters  

E-Print Network [OSTI]

The electric dipole moments of $(H_{2}O)_{n}DCl$ ($n=3-9$) clusters have been measured by the beam deflection method. Reflecting the (dynamical) charge distribution within the system, the dipole moment contributes information about the microscopic structure of nanoscale solvation. The addition of a DCl molecule to a water cluster results in a strongly enhanced susceptibility. There is evidence for a noticeable rise in the dipole moment occurring at $n\\approx5-6$. This size is consistent with predictions for the onset of ionic dissociation. Additionally, a molecular dynamics model suggests that even with a nominally bound impurity an enhanced dipole moment can arise due to the thermal and zero point motion of the proton and the water molecules. The experimental measurements and the calculations draw attention to the importance of fluctuations in defining the polarity of water-based nanoclusters, and generally to the essential role played by motional effects in determining the response of fluxional nanoscale sy...

Guggemos, Nicholas; Kresin, Vitaly V

2015-01-01T23:59:59.000Z

247

Angle-resolved effective potentials for disk-shaped molecules  

E-Print Network [OSTI]

We present an approach for calculating coarse-grained angle-resolved effective pair potentials for uniaxial molecules. For integrating out the intramolecular degrees of freedom we apply umbrella sampling and steered dynamics techniques in atomistically-resolved molecular dynamics (MD) computer simulations. Throughout this study we focus on disk-like molecules such as coronene. To develop the methods we focus on integrating out the van-der-Waals and intramolecular interactions, while electrostatic charge contributions are neglected. The resulting coarse-grained pair potential reveals a strong temperature and angle dependence. In the next step we fit the numerical data with various Gay-Berne-like potentials to be used in more efficient simulations on larger scales. The quality of the resulting coarse-grained results is evaluated by comparing their pair and many-body structure as well as some thermodynamic quantities self-consistently to the outcome of atomistic MD simulations of many particle systems. We find that angle-resolved potentials are essential not only to accurately describe crystal structures but also for fluid systems where simple isotropic potentials start to fail already for low to moderate packing fractions. Further, in describing these states it is crucial to take into account the pronounced temperature dependence arising in selected pair configurations due to bending fluctuations.

Thomas Heinemann; Karol Palczynski; Joachim Dzubiella; Sabine H. L. Klapp

2014-10-22T23:59:59.000Z

248

Molecule fragmentation at the Dresden EBIS-A  

SciTech Connect (OSTI)

We report on molecule fragmentation measurements of propane in high dense electron beams of a room-temperature electron beam ion source, the so-called Dresden EBIS-A. After fragmentation of propane molecules in the electron beam the fragments were continuously extracted and q/A separated by a bifocal dipole magnet. Fragmentation spectra were measured at working gas pressures of 10{sup -9} mbar up to 10{sup -8} mbar, electron currents of 29 mA up to 75 mA, and electron energies of 11 keV up to 15 keV. Thereby all possible stoichiometric ratios of propane fragments were detected. At low electron beam currents the ion current output of the CH{sub x}{sup +} (x=0-3) and the C{sub 2}H{sub x}{sup +} (x=0-5) fragments is nearly identically. At higher electron currents the CH{sub x}{sup +} (x=0-3) peaks dominate the spectra and the ratio between the C{sup +} peak and CH{sub x}{sup +} (x=0-3) peaks increases from 2:1 to 3:1. It was shown that the working gas pressure has no significant influence on the fragment distribution but on the total ion current.

Kreller, M.; Zschornack, G.; Kentsch, U.; Heller, R. [Institute of Applied Physics, Dresden University of Technology, 01062 Dresden (Germany); DREEBIT GmbH, 01109 Dresden (Germany); FZ Dresden-Rossendorf, Institute of Ion-Beam Physics and Materials Research, 01328 Dresden (Germany)

2008-02-15T23:59:59.000Z

249

Experimental strategies for investigating passive and ultrasound-enhanced transdermal drug delivery  

E-Print Network [OSTI]

Transdermal drug delivery offers many advantages over traditional drug delivery methods. However, the natural resistance of the skin to drug permeation represents a major challenge that transdermal drug delivery needs to ...

Seto, Jennifer Elizabeth

2011-01-01T23:59:59.000Z

250

Formation of Quantum-Degenerate Sodium Molecules A current frontier in the field of ultracold gases is the study of ultracold molecules. In  

E-Print Network [OSTI]

a Feshbach resonance [1]. More than 105 molecules were generated with a conversion efficiency of ~4%. High sodium molecules from an atomic Bose- Einstein condensate by ramping an applied magnetic field across trap. The small expansion velocity corresponds to a temperature of about 30 nK, characteristic of high

251

Site-specific labeling of proteins for single-molecule FRET by combining chemical and enzymatic modification  

E-Print Network [OSTI]

Single- molecule protein folding: Diffusion fluorescencefree-energy surface for protein folding with single-moleculeDaggett, V. 2001. Protein folding from a highly disordered

Jager, M; Nir, E; Weiss, S

2006-01-01T23:59:59.000Z

252

An Scanning Tunneling Microscopy and Photoelectron Spectroscopy Study of Pattern Formation and Molecule Ordering under a Variety of Interactions  

E-Print Network [OSTI]

CO Molecules inside an Anthraquinone comb Network on Cu(111)CO Molecules inside an Anthraquinone Honey- comb Network onformed by deposition of anthraquinone according to Ref. [42

Zhu, Yeming

2013-01-01T23:59:59.000Z

253

Extension of the Isobolographic Approach to Interactions Studies between More than Two Drugs: Illustration  

E-Print Network [OSTI]

received the drugs separately or in various combinations. Drug infusion was stopped at the onset of maximal

Gelman, Andrew

254

Mesoporous Silica Nanomaterials for Applications in Catalysis, Sensing, Drug Delivery and Gene Transfection  

SciTech Connect (OSTI)

The central theme of this dissertation is represented by the versatility of mesoporous silica nanomaterials in various applications such as catalysis and bio-applications, with main focus on biological applications of Mesoporous Silica Nanospheres (MSN). The metamorphosis that we impose to these materials from catalysis to sensing and to drug and gene delivery is detailed in this dissertation. First, we developed a synthetic method that can fine tune the amount of chemically accessible organic functional groups on the pores surface of MSN by exploiting electrostatic and size matching between the cationic alkylammonium head group of the cetyltrimethylammonium bromide (CTAB) surfactant and various anionic organoalkoxysilane precursors at the micelle-water interface in a base-catalyzed condensation reaction of silicate. Aiming nature imitation, we demonstrated the catalytic abilities of the MSNs, We utilized an ethylenediamine functional group for chelating Cu{sup 2+} as a catalytic functional group anchored inside the mesopores. Thus, a polyalkynylene-based conducting polymer (molecular wire) was synthesized within the Cu-functionalized MSNs silica catalyst. For sensing applications, we have synthesized a poly(lactic acid) coated mesoporous silica nanosphere (PLA-MSN) material that serves as a fluorescence sensor system for detection of amino-containing neurotransmitters in neutral aqueous buffer. We exploited the mesoporosity of MSNs for encapsulating pharmaceutical drugs. We examined bio-friendly capping molecules such as polyamidoamine dendrimers of generations G2 to G4, to prevent the drug leaching. Next, the drug delivery system employed MSNs loaded with Doxorubicin, an anticancer drug. The results demonstrated that these nano-Trojan horses have ability to deliver Doxorubicin to cancer cells and induce their death. Finally, to demonstrate the potential of MSN as an universal cellular transmembrane nanovehicle, we anchored positively charged dendrimers on the surface of MSN and utilize them to complex cationic DNA. The p-EGFP-CI gene-coated MSN nanocomposite was able to transfect cancer cell lines, such as human HeLa and CHO cancer cell lines. The gene carrier ability of MSNs was further proved by transfecting primary cells and cotransfecting of two different genes in cancer cell lines. In sum, MSN are versatile partners in several types of applications.

Daniela Rodica Radu

2005-12-19T23:59:59.000Z

255

Hydrogen molecule ion: Path-integral Monte Carlo approach  

SciTech Connect (OSTI)

The path-integral Monte Carlo approach is used to study the coupled quantum dynamics of the electron and nuclei in hydrogen molecule ion. The coupling effects are demonstrated by comparing differences in adiabatic Born-Oppenheimer and nonadiabatic simulations, and inspecting projections of the full three-body dynamics onto the adiabatic Born-Oppenheimer approximation. Coupling of the electron and nuclear quantum dynamics is clearly seen. The nuclear pair correlation function is found to broaden by 0.040a{sub 0}, and the average bond length is larger by 0.056a{sub 0}. Also, a nonadiabatic correction to the binding energy is found. The electronic distribution is affected less than the nuclear one upon inclusion of nonadiabatic effects.

Kylaenpaeae, I.; Leino, M.; Rantala, T. T. [Institute of Physics, Tampere University of Technology, P.O. Box 692, FI-33101 Tampere (Finland)

2007-11-15T23:59:59.000Z

256

Non-Born-Oppenheimer calculations of the BH molecule  

SciTech Connect (OSTI)

Variational calculations employing explicitly correlated Gaussian basis functions have been performed for the ground state of the boron monohydride molecule (BH) and for the boron atom (B). Up to 2000 Gaussians were used for each system. The calculations did not assume the Born-Oppenheimer (BO) approximation. In the optimization of the wave function, we employed the analytical energy gradient with respect to the Gaussian exponential parameters. In addition to the total nonrelativistic energies, we computed scalar relativistic corrections (mass-velocity and Darwin). With those added to the total energies, we estimated the dissociation energy of BH. The non-BO wave functions were also used to compute some expectation values involving operators dependent on the interparticle distances.

Bubin, Sergiy; Stanke, Monika; Adamowicz, Ludwik

2009-07-30T23:59:59.000Z

257

Power dissipation in a single molecule junction: Tracking energy levels  

E-Print Network [OSTI]

Motivated by recent work [Lee et al. Nature {\\bf 489}, 209 (2013)], on asymmetry features of heat dissipation in the electrodes of molecular junctions, we put forward an idea as a result of heat dissipation in the electrodes. Based on tight-binding model and a generalized Green's function formalism, we describe the conditions under which heat dissipation shows symmetry characteristic and does not depend on the bias polarity. We also show the power dissipated in the junction can be used to detect which energy levels of molecule junction play more or less role in the transmission process. We present this idea by studying a simple toy model and Au-$C_{60}$-Au junction.

Yaghoob Naimi; Javad Vahedi

2014-12-05T23:59:59.000Z

258

Reaction mechanism studies of unsaturated molecules using photofragment translational spectroscopy  

SciTech Connect (OSTI)

A number of molecules have been studied using the technique of photofragment translational spectroscopy. In Chapter One a brief introduction to the experimental technique is given. In Chapter Two the infrared multiphoton dissociation (IRMPD) of acetic acid is discussed. Carbon dioxide and methane were observed for the first time as products from dissociation under collisionless conditions. Chapter Three relates an IRMPD experiment of hexafluoropropene. The predominant channel produces CFCF{sub 3} or C{sub 2}F{sub 4} and CF{sub 2}, with the heavier species undergoing further dissociation to two CF{sub 2} fragments. In Chapter Four the ultraviolet (UV) dissociation of hexafluoropropene is investigated. Chapter Five explores the IRMPD of octafluoro-1-butene and octafluoro-2-butene.

Longfellow, C.A. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry]|[Lawrence Berkeley National Lab., CA (United States). Chemical Sciences Div.

1996-05-01T23:59:59.000Z

259

Transport properties of individual C{sub 60}-molecules  

SciTech Connect (OSTI)

Electrical and thermal transport properties of C{sub 60} molecules are investigated with density-functional-theory based calculations. These calculations suggest that the optimum contact geometry for an electrode terminated with a single-Au atom is through binding to one or two C-atoms of C{sub 60} with a tendency to promote the ?sp{sup 2}-hybridization into an ?sp{sup 3}-type one. Transport in these junctions is primarily through an unoccupied molecular orbital that is partly hybridized with the Au, which results in splitting the degeneracy of the lowest unoccupied molecular orbital triplet. The transmission through these junctions, however, cannot be modeled by a single Lorentzian resonance, as our results show evidence of quantum interference between an occupied and an unoccupied orbital. The interference results in a suppression of conductance around the Fermi energy. Our numerical findings are readily analyzed analytically within a simple two-level model.

Géranton, G. [Institute of Nanotechnology, Karlsruhe Institute of Technology, Campus North, D-76128 Karlsruhe (Germany)] [Institute of Nanotechnology, Karlsruhe Institute of Technology, Campus North, D-76128 Karlsruhe (Germany); Seiler, C.; Evers, F. [Institute of Nanotechnology, Karlsruhe Institute of Technology, Campus North, D-76128 Karlsruhe (Germany) [Institute of Nanotechnology, Karlsruhe Institute of Technology, Campus North, D-76128 Karlsruhe (Germany); Center for Functional Nanostructures, Karlsruhe Institute of Technology, Campus South, D-76131 Karlsruhe (Germany); Institut für Theorie der Kondensierten Materie, Karlsruhe Institute of Technology, Campus South, D-76128 Karlsruhe (Germany); Bagrets, A. [Institute of Nanotechnology, Karlsruhe Institute of Technology, Campus North, D-76128 Karlsruhe (Germany) [Institute of Nanotechnology, Karlsruhe Institute of Technology, Campus North, D-76128 Karlsruhe (Germany); Steinbuch Center for Supercomputing, Karlsruhe Institute of Technology, D-76128 Karlsruhe (Germany); Venkataraman, L. [Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027 (United States)] [Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027 (United States)

2013-12-21T23:59:59.000Z

260

Transport behavior of water molecules through two-dimensional nanopores  

SciTech Connect (OSTI)

Water transport through a two-dimensional nanoporous membrane has attracted increasing attention in recent years thanks to great demands in water purification and desalination applications. However, few studies have been reported on the microscopic mechanisms of water transport through structured nanopores, especially at the atomistic scale. Here we investigate the microstructure of water flow through two-dimensional model graphene membrane containing a variety of nanopores of different size by using molecular dynamics simulations. Our results clearly indicate that the continuum flow transits to discrete molecular flow patterns with decreasing pore sizes. While for pores with a diameter ?15 Ĺ water flux exhibits a linear dependence on the pore area, a nonlinear relationship between water flux and pore area has been identified for smaller pores. We attribute this deviation from linear behavior to the presence of discrete water flow, which is strongly influenced by the water-membrane interaction and hydrogen bonding between water molecules.

Zhu, Chongqin; Li, Hui; Meng, Sheng, E-mail: smeng@iphy.ac.cn [Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

2014-11-14T23:59:59.000Z

Note: This page contains sample records for the topic "antifungal drug molecules" 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

Gaussian Process Model for Collision Dynamics of Complex Molecules  

E-Print Network [OSTI]

We show that a Gaussian Process model can be combined with a small number of scattering calculations to provide an accurate multi-dimensional dependence of scattering observables on the experimentally controllable parameters (such as the collision energy, temperature or external fields) as well as the potential energy surface parameters. This can be used for solving the inverse scattering problem, the prediction of collision properties of a specific molecular system based on the information for another molecule, the efficient calculation of thermally averaged observables and for reducing the error of the molecular dynamics calculations by averaging over the potential energy surface variations. We show that, trained by a combination of classical and quantum dynamics calculations, the model provides an accurate description of the scattering cross sections, even near scattering resonances. In this case, the classical calculations stabilize the model against uncertainties arising from wildly varying correlations ...

Cui, Jie

2015-01-01T23:59:59.000Z

262

SciTech Connect: Drug Retention Times  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear Security Administrationcontroller systems controllerAdditiveBetatronAerogelDistances fromUsage SystemDrug

263

DRUG TESING PANEL & CUTOFF CONCENTRATIONS  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation Proposed Newcatalyst phases onOrganizationElectronic2005-2007 Budget Dear2, 2011DREAM toolDRUG

264

Alcohol, Drugs, and Accident Prevention (RC-371/-571) Course Description The role of alcohol and drugs and their relationship to accident causation will be examined. The problem  

E-Print Network [OSTI]

Alcohol, Drugs, and Accident Prevention (RC-371/-571) Course Description The role of alcohol and drugs and their relationship to accident causation will be examined. The problem of alcoholism and drug

Wu, Mingshen

265

Higher-order nonclassical properties of atom-molecule Bose-Einstein Condensate  

E-Print Network [OSTI]

The transient quantum statistical properties of the atoms and molecules in an atom-molecule BEC system are investigated by obtaining a third-order perturbative solution of the Heisenberg's equations of motion corresponding to the Hamiltonian of an atom-molecule BEC system where two atoms can collide to form a molecule. Time dependent quantities like two boson correlation, entanglement, squeezing, antibunching, etc., are computed and their properties are compared. It is established that atom-molecule BEC system is highly nonclassical as lower-order and higher-order squeezing and antibunching in pure (atomic and molecular) modes, squeezing and antibunching in compound mode and lower-order and higher-order entanglement in compound mode can be observed in the atom-molecule BEC system. Exact numerical results are also reported and analytic results obtained using the perturbative technique are shown to coincide with the exact numerical results.

Sandip Kumar Giri; Kishore Thapliyal; Biswajit Sen; Anirban Pathak

2014-07-07T23:59:59.000Z

266

Spin-dependent electron transport in zinc- and manganese-doped adenine molecules  

SciTech Connect (OSTI)

The spin-dependent electron transport properties of zinc- and manganese-doped adenine molecules connected to zigzag graphene leads are studied in the zero bias regime using the non-equilibrium Green's function method. The conductance of the adenine molecule increased and became spin-dependent when a zinc or manganese atom was doped into the molecules. The effects of a transverse electric field on the spin-polarization of the transmitted electrons were investigated and the spin-polarization was controlled by changing the transverse electric field. Under the presence of a transverse electric field, both the zinc- and manganese-doped adenine molecules acted as spin-filters. The maximum spin-polarization of the manganese-doped adenine molecule was greater than the molecule doped with zinc.

Simchi, Hamidreza, E-mail: simchi@iust.ac.ir [Department of Physics, Iran University of Science and Technology, Narmak, Tehran 16844 (Iran, Islamic Republic of); Semiconductor Technology Center, Tehran 16844 (Iran, Islamic Republic of); Esmaeilzadeh, Mahdi, E-mail: mahdi@iust.ac.ir; Mazidabadi, Hossein [Department of Physics, Iran University of Science and Technology, Narmak, Tehran 16844 (Iran, Islamic Republic of)

2014-01-28T23:59:59.000Z

267

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

SciTech Connect (OSTI)

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

268

antidepressant drug treatment: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

prognosis. ... Scott, Alexander Wesley 2010-01-01 50 Antiretroviral HIV treatment and care for injecting drug users: an evidence-based overview Physics Websites Summary: 1...

269

antiretroviral drug exposure: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

SKILLS AQUIRED THROUGH Auerbach, Scott M. 2 Antiretroviral HIV treatment and care for injecting drug users: an evidence-based overview Physics Websites Summary: 1...

270

antiretroviral drug combination: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

carrying various combinations Ahlers, Guenter 3 Antiretroviral HIV treatment and care for injecting drug users: an evidence-based overview Physics Websites Summary: 1...

271

antidepressant drug design: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

ylenedioxymethamphetamine (MDMA) also known as Ecstasy is a common recreational drug of abuse and reports of abuse of tricyclic antidepressants are also known. We report two cases...

272

Skeletal muscle biomechanics drives intramuscular transport of locally delivered drugs  

E-Print Network [OSTI]

Introduction: Effective local drug delivery to contractile tissues such as skeletal muscle requires a thorough understanding of the impact of mechanical loads on intramuscular pharmacokinetics. Current preparations for ...

Wu, Peter I-Kung

2007-01-01T23:59:59.000Z

273

In silico modeling to predict drug-induced phospholipidosis  

SciTech Connect (OSTI)

Drug-induced phospholipidosis (DIPL) is a preclinical finding during pharmaceutical drug development that has implications on the course of drug development and regulatory safety review. A principal characteristic of drugs inducing DIPL is known to be a cationic amphiphilic structure. This provides evidence for a structure-based explanation and opportunity to analyze properties and structures of drugs with the histopathologic findings for DIPL. In previous work from the FDA, in silico quantitative structure–activity relationship (QSAR) modeling using machine learning approaches has shown promise with a large dataset of drugs but included unconfirmed data as well. In this study, we report the construction and validation of a battery of complementary in silico QSAR models using the FDA's updated database on phospholipidosis, new algorithms and predictive technologies, and in particular, we address high performance with a high-confidence dataset. The results of our modeling for DIPL include rigorous external validation tests showing 80–81% concordance. Furthermore, the predictive performance characteristics include models with high sensitivity and specificity, in most cases above ? 80% leading to desired high negative and positive predictivity. These models are intended to be utilized for regulatory toxicology applied science needs in screening new drugs for DIPL. - Highlights: • New in silico models for predicting drug-induced phospholipidosis (DIPL) are described. • The training set data in the models is derived from the FDA's phospholipidosis database. • We find excellent predictivity values of the models based on external validation. • The models can support drug screening and regulatory decision-making on DIPL.

Choi, Sydney S.; Kim, Jae S.; Valerio, Luis G., E-mail: luis.valerio@fda.hhs.gov; Sadrieh, Nakissa

2013-06-01T23:59:59.000Z

274

Unlocking enzyme synthesis of rare sugars to create drugs with...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

this study is to dramatically improve the performance of enzymes that can be used by the pharmaceutical industry to synthesize drug precursors," said ORNL's Andrey Kovalevsky, the...

275

antimalarial drug artemisinin: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Isolation of Artemisinin as Antimalarial Drugs from Artemisia annua L. Cultivated in Indonesia CiteSeer Summary: Abstract-- Malaria disease is endemic in developing countries like...

276

act drug policies: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

of alcoholic beverages. These standards conform to state and federal laws. The policy described in this brochure pertains to alcohol and other drug use behaviors in...

277

antithyroid drug therapy: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

EVIDENCE BASED DRUG THERAPY RESOURCE CiteSeer Summary: Management of acute and chronic gout is challenging in the setting of chronic kidney disease (CKD). Common gout treatments...

278

antidiabetic drug therapy: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

EVIDENCE BASED DRUG THERAPY RESOURCE CiteSeer Summary: Management of acute and chronic gout is challenging in the setting of chronic kidney disease (CKD). Common gout treatments...

279

antiretroviral drug therapy: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

EVIDENCE BASED DRUG THERAPY RESOURCE CiteSeer Summary: Management of acute and chronic gout is challenging in the setting of chronic kidney disease (CKD). Common gout treatments...

280

antipsychotic drug therapy: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

EVIDENCE BASED DRUG THERAPY RESOURCE CiteSeer Summary: Management of acute and chronic gout is challenging in the setting of chronic kidney disease (CKD). Common gout treatments...

Note: This page contains sample records for the topic "antifungal drug molecules" 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

adverse drug events: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

EVIDENCE BASED DRUG THERAPY RESOURCE CiteSeer Summary: Management of acute and chronic gout is challenging in the setting of chronic kidney disease (CKD). Common gout treatments...

282

adverse drug event: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

EVIDENCE BASED DRUG THERAPY RESOURCE CiteSeer Summary: Management of acute and chronic gout is challenging in the setting of chronic kidney disease (CKD). Common gout treatments...

283

antiepileptic drug therapy: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

EVIDENCE BASED DRUG THERAPY RESOURCE CiteSeer Summary: Management of acute and chronic gout is challenging in the setting of chronic kidney disease (CKD). Common gout treatments...

284

antiarrhythmic drug therapy: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

EVIDENCE BASED DRUG THERAPY RESOURCE CiteSeer Summary: Management of acute and chronic gout is challenging in the setting of chronic kidney disease (CKD). Common gout treatments...

285

acute drug intoxication: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

EVIDENCE BASED DRUG THERAPY RESOURCE CiteSeer Summary: Management of acute and chronic gout is challenging in the setting of chronic kidney disease (CKD). Common gout treatments...

286

adhd drug therapy: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

EVIDENCE BASED DRUG THERAPY RESOURCE CiteSeer Summary: Management of acute and chronic gout is challenging in the setting of chronic kidney disease (CKD). Common gout treatments...

287

antihypertensive drug therapy: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

EVIDENCE BASED DRUG THERAPY RESOURCE CiteSeer Summary: Management of acute and chronic gout is challenging in the setting of chronic kidney disease (CKD). Common gout treatments...

288

Transdermal microconduits by microscission for drug delivery and sample acquisition  

E-Print Network [OSTI]

Background Painless, rapid, controlled, minimally invasive molecular transport across human skin for drug delivery and analyte acquisition is of widespread interest. Creation of microconduits through the stratum corneum ...

Gonzalez, Salvador

289

Food and Drug Administration White Oak Campus Environmental Stewardshi...  

Broader source: Energy.gov (indexed) [DOE]

FEMP ESPC Success Story on water conservation and green energy at the Food and Drug Administration (FDA) White Oak Campus. espcsswhiteoak.pdf More Documents & Publications Energy...

290

antimalarial drug development: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

the solubility data supporting intended decision-making? 12;Tablet Tipple, Brett 30 Assessing the impact of tumor evolution on oncology drug development and commercialization MIT...

291

antidepressant drug development: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

the solubility data supporting intended decision-making? 12;Tablet Tipple, Brett 39 Assessing the impact of tumor evolution on oncology drug development and commercialization MIT...

292

avoiding drug development: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

the solubility data supporting intended decision-making? 12;Tablet Tipple, Brett 23 Assessing the impact of tumor evolution on oncology drug development and commercialization MIT...

293

Born-Oppenheimer Expansion for Diatomic Molecules with Large Angular Momentum.  

E-Print Network [OSTI]

??Semiclassical and Born-Oppenheimer approximations are used to provide uniform error bounds for the energies of diatomic molecules for bounded vibrational quantum number n and large… (more)

Hughes, Sharon Marie

2007-01-01T23:59:59.000Z

294

E-Print Network 3.0 - anti-gene molecules resistant Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

of Physics, Columbia University Collection: Materials Science ; Physics 40 Adsorption behavior of Lander molecules on Cu,,110... studied by scanning tunneling microscopy...

295

E-Print Network 3.0 - alkaline-earth dihalide molecules Sample...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Powered by Explorit Topic List Advanced Search Sample search results for: alkaline-earth dihalide molecules Page: << < 1 2 3 4 5 > >> 1 Vibrational signatures of zwitterionic...

296

Optical switching and inversionless amplification controlled by state-dependent alignment of molecules  

E-Print Network [OSTI]

Switching anisotropic molecules from strongly-absorbing to strongly-amplifying through a transparent state is shown to be possible by application of dc or ac control electric fields without the requirement of the population inversion. It is based on decoupling of the lower-level molecules from the resonant light while the excited ones remain emitting due to their state-dependent alignment. The amplification index may become dependent only on a number of excited molecules and not on the population of the lower state. A suitable class of molecules and applications in optoelectronics, fiberoptics and nanophotonics are outlined.

A. K. Popov; V. V. Slabko

2005-05-04T23:59:59.000Z

297

E-Print Network 3.0 - astrophysical interest molecules Sample...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

molecules Page: << < 1 2 3 4 5 > >> 1 Laboratory Astrophysics and the State of Astronomy and Astrophysics Submitted by the Summary: astrophysics related research in atomic...

298

Excitation energies of molecules within time-independent density functional theory  

SciTech Connect (OSTI)

Recently proposed exchange energy functional for excited-states is tested for obtaining excitation energies of diatomic molecules. The functional is the ground-state counterpart of the local-density approximation, the modified local spin density (MLSD). The MLSD functional is tested for the N{sub 2} and CO diatomic molecules. The excitation energy obtained with the MLSD functional for the N{sub 2} molecule is in close vicinity to that obtained from the exact exchange orbital functional, Krieger, Li and Iafrate (KLI). For the CO molecule, the departure in excitation energy is observed and is due to the overcorrection of self-interaction.

Hemanadhan, M., E-mail: hemanadh@iitk.ac.in; Harbola, Manoj K., E-mail: hemanadh@iitk.ac.in [Department of Physics, Indian Institute of Technology Kanpur, Kanpur-208016 (India)

2014-04-24T23:59:59.000Z

299

E-Print Network 3.0 - affinity distribution molecule Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

charles.karney.infobibliodesign.html Summary: with high affinity. Keywords: ligand design, binding free energy, molecular distribution, EM... the molecule with the addition...

300

Adsorption States and Mobility of TMAA Molecules on Reduced TiO2...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

spectroscopy (XPS) and density functional theory (DFT) studies have probed the bonding configurations and mobility of trimethylacetic acid (TMAA) molecules on TiO2(100)...

Note: This page contains sample records for the topic "antifungal drug molecules" 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

E-Print Network 3.0 - aromatic hydrocarbons molecules Sample...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Sciences and Ecology 35 2006-01-0201 Speciated Hydrocarbon Emissions from an Automotive Diesel Summary: to number of carbon atoms per hydrocarbon molecule (Figure 2). For each...

302

E-Print Network 3.0 - aromatic hydrocarbon molecules Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Sciences and Ecology 35 2006-01-0201 Speciated Hydrocarbon Emissions from an Automotive Diesel Summary: to number of carbon atoms per hydrocarbon molecule (Figure 2). For each...

303

E-Print Network 3.0 - antibiotic molecules bypassing Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Engineering, State University of New York at Buffalo Collection: Engineering 63 J. Mol. Biol. (1996) 262, 421436 RNA Sequence Determinants for Aminoglycoside Summary: - molecules...

304

Near-infrared single-photons from aligned molecules in ultrathin crystalline films at room temperature  

E-Print Network [OSTI]

We investigate the optical properties of Dibenzoterrylene (DBT) molecules in a spin-coated crystalline film of anthracence. By performing single molecule studies, we show that the dipole moments of the DBT molecules are oriented parallel to the plane of the film. Despite a film thickness of only 20 nm, we observe an exceptional photostability at room temperature and photon count rates around one million per second from a single molecule. These properties together with an emission wavelength around 800 nm make this system attractive for applications in nanophotonics and quantum optics.

C. Toninelli; K. Early; J. Bremi; A. Renn; S. Goetzinger; V. Sandoghdar

2010-02-04T23:59:59.000Z

305

E-Print Network 3.0 - adhesion molecules shaping Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Biology and Medicine 97 Friction and Adhesion Hysteresis between Surfactant Monolayers in Water Summary: ). The hydrophobic adhesive force, fsurfsurf, per surfactant molecule at...

306

E-Print Network 3.0 - avec les molecules Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

incluse dans 1'energie de liaison de la molecule adsorbee. Enfin, les processus de resonance electronique... argissement des niveaux liant et antiliant de la ... Source:...

307

Calix[4]arene Based Single-Molecule Magnets  

SciTech Connect (OSTI)

Single-molecule magnets (SMMs) have been the subject of much interest in recent years because their molecular nature and inherent physical properties allow the crossover between classical and quantum physics to be observed. The macroscopic observation of quantum phenomena - tunneling between different spin states, quantum interference between tunnel paths - not only allows scientists to study quantum mechanical laws in great detail, but also provides model systems with which to investigate the possible implementation of spin-based solid state qubits and molecular spintronics. The isolation of small, simple SMMs is therefore an exciting prospect. To date almost all SMMs have been made via the self-assembly of 3d metal ions in the presence of bridging/chelating organic ligands. However, very recently an exciting new class of SMMs, based on 3d metal clusters (or single lanthanide ions) housed within polyoxometalates, has appeared. These types of molecule, in which the SMM is completely encapsulated within (or shrouded by) a 'protective' organic or inorganic sheath have much potential for design and manipulation: for example, for the removal of unwanted dipolar interactions, the introduction of redox activity, or to simply aid functionalization for surface grafting. Calix[4]arenes are cyclic (typically bowl-shaped) polyphenols that have been used extensively in the formation of versatile self-assembled supramolecular structures. Although many have been reported, p-{sup t}But-calix[4]arene and calix[4]arene (TBC4 and C4 respectively, Figure 1A) are frequently encountered due to (a) synthetic accessibility, and (b) vast potential for alteration at either the upper or lower rim of the macrocyclic framework. Within the field of supramolecular chemistry, TBC4 is well known for interesting polymorphic behavior and phase transformations within anti-parallel bi-layer arrays, while C4 often forms self-included trimers. The polyphenolic nature of calix[n]arenes (where n = 4-8) also suggests they should be excellent candidates as ligands for the isolation of molecular magnets, but to date their use in the isolation of paramagnetic cluster compounds is rather limited. Herein we present the first Mn cluster and the first SMM to be isolated using any methylene bridged calix[n]arene - a ferromagnetically coupled mixed-valence [Mn{sub 2}{sup III}Mn{sub 2}{sup II}] complex housed between either two TBC4s or two C4s.

Karotsis, Georgios; Teat, Simon J.; Wernsdorfer, Wolfgang; Piligkos, Stergios; Dalgarno, Scott J.; Brechin, Euan K.

2009-06-04T23:59:59.000Z

308

Free energy calculation of a molecule by removing VDW and Coulomb interactions in a transformation and treating the molecule as non interacting systems  

E-Print Network [OSTI]

Free energy calculations in molecular simulations have a variety of applications including determining the strength of molecular processes such as solvation and binding. It has been recently shown that when removing the VDW and Coulomb potential terms of a group of atoms in a molecule by performing a transformation, the molecule can be treated as non interacting systems in the free energy calculation. This treatment is applicable both when the molecule is in vacuum and in liquid and enables a very simple calculation of the free energies associated with the potentials that depend on the relative spherical coordinates of these atoms. Here we demonstrate the method in the free energy calculation of a Methanethiol molecule and compare the results to these obtained by MD simulations in vacuum and in water. The comparison of free energies associated with the potentials that depend on the relative spherical coordinates shows agreement between the results and faster computation when using the method by factors starti...

Farhi, Asaf

2015-01-01T23:59:59.000Z

309

Intracellular drug distribution-based targeting: Exploiting lysosomes to enhance the selectivity of drugs towards cancer cells  

E-Print Network [OSTI]

was found to induce marked tumor regression. The discovery of nitrogen mustard as a novel anticancer drug resulted in a great deal of optimism that cancer could finally be cured. A burst of research activity to develop new anticancer drugs therefore... of activity against normal cells. Indeed, many novel anticancer agents continue to be identified, but few find clinical utility due to unacceptable toxicity [17], a clear indicator that there is a need for a screening approach that can identify potent drugs...

Ndolo, Rosemary A.

2012-08-31T23:59:59.000Z

310

Molecules in intense laser fields: Beyond the dipole approximation  

SciTech Connect (OSTI)

The time-dependent Schroedinger equation is solved for a Born-Oppenheimer (static nuclei) three-dimensional H{sub 2}{sup +} in super intense laser fields (I=4x10{sup 18}, 10{sup 19}, and 4x10{sup 19} W/cm{sup 2}) at wavelength {lambda}{sub L}=45 nm and 25 nm to assess the influence of nondipolar (magnetic) effects on high order harmonic generation spectra in molecules. It is found that even harmonics appear due to the magnetic field component direction perpendicular to the electric field polarization with intensities about two orders of magnitude less than the odd harmonics emitted along the electric field polarization. The even harmonics exhibit plateaus with cutoffs which exceed in intensity the odd harmonic plateaus and maximum energies predicted by semiclassical electron recollision models. Although the spectra are weak, the wavelength of the recollision electron in the maximum energy regions correspond to subatomic dimensions and the corresponding emitted photons have subnanometer wavelengths.

Bandrauk, A. D.; Lu, H. Z. [Laboratoire de Chimie Theorique, Universite de Sherbrooke, Sherbrooke, Que, J1K 2R1 (Canada)

2006-01-15T23:59:59.000Z

311

The origin of complex organic molecules in prestellar cores  

E-Print Network [OSTI]

Complex organic molecules (COMs) have been detected in a variety of environments, including cold prestellar cores. Given the low temperature of these objects, these last detections challenge existing models. We report here new observations towards the prestellar core L1544. They are based on an unbiased spectral survey of the 3mm band at the IRAM-30m telescope, as part of the Large Program ASAI. The observations allow us to provide the full census of the oxygen bearing COMs in this source. We detected tricarbon monoxide, methanol, acetaldehyde, formic acid, ketene, and propyne with abundances varying from 5e-11 to 6e-9. The non-LTE analysis of the methanol lines shows that they are likely emitted at the border of the core, at a radius of ~8000 AU where T~10 K and nH2~2e4 cm-3. Previous works have shown that water vapour is enhanced in the same region because of the photodesorption of water ices. We propose that a non-thermal desorption mechanism is also responsible for the observed emission of methanol and CO...

Vastel, Charlotte; Lefloch, Bertrand; Bachiller, Raphael

2014-01-01T23:59:59.000Z

312

Spectroscopy, Thermochemistry, and Reactivity of Lanthanide and Actinide Molecules  

SciTech Connect (OSTI)

The research undertaken under this grant is described in this document. The document describes progress in the construction of an instrument for recording photodissociation action spectra of mass-selected cryo-cooled cations. The instrument is not yet functional, but we anticipate trapping ions and conducting photodissociation experiments before the end of the year. It also describes resonant two-photon ionization spectra that have been recorded for uranium mononitride (UN) in the visible portion of the spectrum. These experiments are still underway at the present time. Although the spectra are a bit difficult to properly fit, due to upper state perturbations, it appears that the molecule has a ground state with {Omega} = 3.5 and a bond length of approximately 1.76 {angstrom}. Finally, results on the thermochemistry and reactivity of Th{sup +} are presented. In these studies the bond energies of the following bonds have been determined: D{sub 0}(Th{sup +}-2O) = 10.2 {+-} 0.2 eV; D0(Th{sup +}-N) = 6.69 {+-} 0.35 eV; D0(Th{sup +}-O) = 8.40 {+-} 0.28 eV; D{sub 0}(OTh{sup +}-O) = 1.8 {+-} 0.4 eV.

Morse, Michael D.; Armentrout, Peter B.

2012-08-16T23:59:59.000Z

313

Studies Relevent to Catalytic Activation Co & other small Molecules  

SciTech Connect (OSTI)

Detailed annual and triannual reports describing the progress accomplished during the tenure of this grant were filed with the Program Manager for Catalysis at the Office of Basic Energy Sciences. To avoid unnecessary duplication, the present report will provide a brief overview of the research areas that were sponsored by this grant and list the resulting publications and theses based on this DOE supported research. The scientific personnel participating in (and trained by) this grant's research are also listed. Research carried out under this DOE grant was largely concerned with the mechanisms of the homogeneous catalytic and photocatalytic activation of small molecules such as carbon monoxide, dihydrogen and various hydrocarbons. Much of the more recent effort has focused on the dynamics and mechanisms of reactions relevant to substrate carbonylations by homogeneous organometallic catalysts. A wide range of modern investigative techniques were employed, including quantitative fast reaction methodologies such as time-resolved optical (TRO) and time-resolved infrared (TRIR) spectroscopy and stopped flow kinetics. Although somewhat diverse, this research falls within the scope of the long-term objective of applying quantitative techniques to elucidate the dynamics and understand the principles of mechanisms relevant to the selective and efficient catalytic conversions of fundamental feedstocks to higher value materials.

Ford, Peter C

2005-02-22T23:59:59.000Z

314

Measurement of the Formation Rate of Muonic Hydrogen Molecules  

E-Print Network [OSTI]

Background: The rate \\lambda_pp\\mu\\ characterizes the formation of pp\\mu\\ molecules in collisions of muonic p\\mu\\ atoms with hydrogen. In measurements of the basic weak muon capture reaction on the proton to determine the pseudoscalar coupling g_P, capture occurs from both atomic and molecular states. Thus knowledge of \\lambda_pp\\mu\\ is required for a correct interpretation of these experiments. Purpose: Recently the MuCap experiment has measured the capture rate \\Lambda_S from the singlet p\\mu\\ atom, employing a low density active target to suppress pp\\mu\\ formation (PRL 110, 12504 (2013)). Nevertheless, given the unprecedented precision of this experiment, the existing experimental knowledge in \\lambda_pp\\mu\\ had to be improved. Method: The MuCap experiment derived the weak capture rate from the muon disappearance rate in ultra-pure hydrogen. By doping the hydrogen with 20 ppm of argon, a competing process to pp\\mu\\ formation was introduced, which allowed the extraction of \\lambda_pp\\mu\\ from the observed t...

Andreev, V A; Carey, R M; Case, T A; Clayton, S M; Crowe, K M; Deutsch, J; Egger, J; Freedman, S J; Ganzha, V A; Gorringe, T; Gray, F E; Hertzog, D W; Hildebrandt, M; Kammel, P; Kiburg, B; Knaack, S; Kravtsov, P A; Krivshich, A G; Lauss, B; Lynch, K R; Maev, E M; Maev, O E; Mulhauser, F; Petitjean, C; Petrov, G E; Prieels, R; Schapkin, G N; Semenchuk, G G; Soroka, M A; Tishchenko, V; Vasilyev, A A; Vorobyov, A A; Vznuzdaev, M E; Winter, P

2015-01-01T23:59:59.000Z

315

Elastic free-energy of the edge of an open lipid bilayer based on the interactions of its constituent molecules  

E-Print Network [OSTI]

Lipid-bilayers are the fundamental constituents of the walls of most living cells and lipid vesicles, giving them shape and compartment. The formation and growing of pores in a lipid bilayer have attracted considerable attention from an energetic point of view in recent years. Such pores permit targeted delivery of drugs and genes to the cell, and regulate the concentration of various molecules within the cell. The formation of such pores is caused by various reasons such as changes in cell environment, mechanical stress or thermal fluctuations. Understanding the energy and elastic behaviour of a lipid-bilayer edge is crucial for controlling the formation and growth of such pores. In the present work, the interactions in the molecular level are used to obtain the free energy of the edge of an open lipid bilayer. The resulted free-energy density includes terms associated with flexural and torsional energies of the edge, in addition to a line-tension contribution. The line tension, elastic moduli, and spontaneous normal and geodesic curvatures of the edge are obtained as functions of molecular distribution, molecular dimensions, cutoff distance, and the interaction strength. These parameters are further analyzed by implementing a soft-core interaction potential in the microphysical model. The dependence of the elastic free-energy of the edge to the size of the pore is reinvestigated through an illustrative example, and the results are found to be in agreement with the previous observations.

Meisam Asgari; Aisa Biria

2015-02-17T23:59:59.000Z

316

Drug delivery by organ-specific immunoliposomes  

SciTech Connect (OSTI)

Monoclonal antibodies highly specific to the mouse pulmonary endothelial cells were conjugated to liposomes. The resulting immunoliposomes showed high levels of lung accumulation when injected intravenously into mice. Optimal target binding and retention were achieved if the lipid composition included ganglioside GM{sub 1} to reduce the uptake of immunoliposomes by the reticuloendothelial system. Details of the construction and optimization of these organ-specific immunoliposomes are reviewed. The drug delivery potential of this novel liposome system was demonstrated in an experimental pulmonary metastasis model. Immunoliposomes containing a lipophilic prodrug of deoxyfluorouridine effectively prolonged the survival time of the tumor-bearing mice. This and other therapeutic applications of the immunoliposomes are discussed. 25 refs., 5 figs.

Maruyama, Kazuo; Mori, Atsuhide; Hunag, Leaf (Tennessee Univ., Knoxville, TN (USA). Dept. of Biochemistry); Kennel, S.J. (Oak Ridge National Lab., TN (USA))

1990-01-01T23:59:59.000Z

317

Fluorescence spectroscopy of single molecules at room temperature and its applications  

SciTech Connect (OSTI)

We performed fluorescence spectroscopy of single and pairs of dye molecules on a surface at room temperature. Near field scanning optical microscope (NSOM) and far field scanning optical microscope with multi-color excitation/detection capability were built. The instrument is capable of optical imaging with 100nm resolution and has the sensitivity necessary for single molecule detection. A variety of dynamic events which cannot be observed from an ensemble of molecules is revealed when the molecules are probed one at a time. They include (1) spectral jumps correlated with dark states, (2) individually resolved quantum jumps to and from the meta-stable triplet state, (3) rotational jumps due to desorption/readsorption events of single molecules on the surface. For these studies, a computer controlled optical system which automatically and rapidly locates and performs spectroscopic measurements on single molecules was developed. We also studied the interaction between closely spaced pairs of molecules. In particular, fluorescence resonance energy transfer between a single resonant pair of donor and acceptor molecules was measured. Photodestruction dynamics of the donor or acceptor were used to determine the presence and efficiency of energy transfer Dual molecule spectroscopy was extended to a non-resonant pair of molecules to obtain high resolution differential distance information. By combining NSOM and dual color scheme, we studied the co-localization of parasite proteins and host proteins on a human red blood cell membrane infected with malaria. These dual-molecule techniques can be used to measure distances, relative orientations, and changes in distances/orientations of biological macromolecules with very good spatial, angular and temporal resolutions, hence opening new capabilities in the study of such systems.

Ha, Taekjip

1996-12-01T23:59:59.000Z

318

E-Print Network 3.0 - antagonistic bacterial interactions Sample...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Abstract Aims: Isolation of bacterial antagonist for use in the biological control of phy... the antifungal molecule produced by the ... Source: Balaram , P. - Molecular...

319

Drug-Free Federal Workplace Testing Implementation Program  

Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

The subject directive provides requirements and responsibilities for the implementation of a workplace program to test for the use of illegal drugs to facilitate the maintenance of a drug-free Federal workplace. In the course of the revision, the document number will change from DOE O 3792.3 to DOE O 343.1.

2012-12-06T23:59:59.000Z

320

ANALYSIS OF GENE EXPRESSION PROFILES AND DRUG ACTIVITY PATTERNS BY  

E-Print Network [OSTI]

are more related to the kind of cancer than to drug activity patterns. Dependency analysis using Bayesian1 11 ANALYSIS OF GENE EXPRESSION PROFILES AND DRUG ACTIVITY PATTERNS BY CLUSTERING AND BAYESIAN of data produced from up- to-date biological experimental processes needs appropriate data mining

Note: This page contains sample records for the topic "antifungal drug molecules" 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

Identifying novel drug indications through automated reasoning Authors and Affiliations  

E-Print Network [OSTI]

of these drugs have potential anti-cancer activities based on information on their targets and molecular discovery, text mining, automated reasoning Abstract Background With the large amount of pharmacological interaction types alone. A total of 507 drugs were found to have the potential to be used for cancer

Baral, Chitta

322

Cancer Treatment Using Multiple Chemotheraputic Agents Subject to Drug Resistance  

E-Print Network [OSTI]

Cancer Treatment Using Multiple Chemotheraputic Agents Subject to Drug Resistance J. J. Westman-7045 USA Abstract A compartment model for the evolution of cancer subject to multiple chemotherapeutic agents is presented. The formulation accounts for the heterogeneous nature of cancer and drug resistance

Hanson, Floyd B.

323

Kitaev honeycomb and other exotic spin models with polar molecules Alexey V. Gorshkov,1  

E-Print Network [OSTI]

each molecule as a rigid rotor, we use DC electric and microwave fields to define superpositions of the vector connecting the two molecules. To demonstrate the potential of this approach beyond the simplest Hamiltonian but also its individual terms can depend on ^R. We harnessed this dependence to propose

324

Improved quantum Monte Carlo calculation of the ground-state energy of the hydrogen molecule  

E-Print Network [OSTI]

variational energies. The accuracy of the new Monte Carlo energy is approximately equal to that of recentImproved quantum Monte Carlo calculation of the ground-state energy of the hydrogen molecule Bin Carlo calculation of the nonrelativistic ground-state energy of the hydrogen molecule, without the use

Anderson, James B.

325

Improved estimates of the total correlation energy in the ground state of the water molecule  

E-Print Network [OSTI]

Improved estimates of the total correlation energy in the ground state of the water molecule Arne National Laboratory, Richland, Washington 99352 Received 1 October 1996; accepted 5 February 1997 Two new calculations of the electronic energy of the ground state of the water molecule yield energies lower than those

Anderson, James B.

326

On the Doi Model for the suspensions of rod-like molecules in compressible fluids  

E-Print Network [OSTI]

On the Doi Model for the suspensions of rod-like molecules in compressible fluids Hantaek Bae and Konstantina Trivisa Key words: Doi model, suspensions of rod-like molecules, fluid-particle interaction model, compressible Navier-Stokes equations, Fokker-Planck-type equation. Abstract Polymeric fluids arise in many

Milchberg, Howard

327

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

328

Atomic-Scale Detection of Organic Molecules Coupled to Single-Walled Carbon Nanotubes  

E-Print Network [OSTI]

Atomic-Scale Detection of Organic Molecules Coupled to Single-Walled Carbon Nanotubes Sung You Hong.green@chem.ox.ac.uk; ben.davis@chem.ox.ac.uk Functionalized carbon nanotubes (f-CNTs) bearing organic molecules functionalization of single-walled carbon nanotubes (SWNTs) can tailor critical proper- ties such as solubility

Davis, Ben G.

329

Method and apparatus for passive optical dosimeter comprising caged dye molecules  

DOE Patents [OSTI]

A new class of ultraviolet dosimeters is made possible by exposing caged dye molecules, which generate a dye molecule on exposure to ultraviolet radiation, to an exterior environment. Applications include sunburn monitors, characterizing the UV exposure history of UV-sensitive materials, especially including structural plastics, and use in disposable `one-use` optical equipment, especially medical devices.

Sandison, David R. (Edgewood, NM)

2001-07-03T23:59:59.000Z

330

Functional single-molecule devices based on SWNTs as point contacts  

E-Print Network [OSTI]

are built (such as alkylidenes on transition metals and on metal carbides),18,19 molecular-scale metal and theoretical efforts have been made toward fabricating metal­molecule junctions and building functional opto­molecule metal junc- tion,10 STM break junction,11­14 self-aligned template method,15 and so on. One

Hone, James

331

Ultracold molecules for the masses: evaporative cooling and magneto-optical trapping  

E-Print Network [OSTI]

cooling, until now none of these techniques have been applicable to molecules. In this thesis, two majorUltracold molecules for the masses: evaporative cooling and magneto-optical trapping by B. K. Stuhl for the masses: evaporative cooling and magneto-optical trapping written by B. K. Stuhl has been approved

Jin, Deborah

332

Blue MedicareRx (PDP)SM 2012 Comprehensive Drug List  

E-Print Network [OSTI]

Blue MedicareRx (PDP)SM 2012 Comprehensive Drug List PLEASE READ: THIS DOCUMENT CONTAINS DrugList Blue MedicareRx (PDP)SM 2012 Formulary (List of Covered Drugs) DrugList PLEASE READ. Blue MedicareRx (PDP) is a stand-alone prescription drug plan with a Medicare contract offered by HCSC

Oklahoma, University of

333

Ultracold chemistry with alkali-metal-rare-earth molecules  

E-Print Network [OSTI]

A first principles study of the dynamics of $^6$Li($^{2}$S) + $^6$Li$^{174}$Yb($^2\\Sigma^+$)$ \\to ^6$Li$_2(^1\\Sigma^+$) + $^{174}$Yb($^1$S) reaction is presented at cold and ultracold temperatures. The computations involve determination and analytic fitting of a three-dimensional potential energy surface for the Li$_2$Yb system and quantum dynamics calculations of varying complexities, ranging from exact quantum dynamics within the close-coupling scheme, to statistical quantum treatment, and universal models. It is demonstrated that the two simplified methods yield zero-temperature limiting reaction rate coefficients in reasonable agreement with the full close-coupling calculations. The effect of the three-body term in the interaction potential is explored by comparing quantum dynamics results from a pairwise potential that neglects the three-body term to that derived from the full interaction potential. Inclusion of the three-body term in the close-coupling calculations was found to reduce the limiting rate coefficients by a factor of two. The reaction exoergicity populates vibrational levels as high as $v=19$ of the $^6$Li$_2$ molecule in the limit of zero collision energy. Product vibrational distributions from the close-coupling calculations reveal sensitivity to inclusion of three-body forces in the interaction potential. Overall, the results indicate that a simplified model based on the long-range potential is able to yield reliable values of the total reaction rate coefficient in the ultracold limit but a more rigorous approach based on statistical quantum or quantum close-coupling methods is desirable when product rovibrational distribution is required.

C. Makrides; J. Hazra; G. B. Pradhan; A. Petrov; B. K. Kendrick; T. González-Lezana; N. Balakrishnan; S. Kotochigova

2014-10-28T23:59:59.000Z

334

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]

Chem. Commun. 2009, 7230-7232. Zhang, S. ; Chandra, K. L. ;D. Chem. Commun. 2009, 7230-7232. Villuendas, I. ; Parilla,

Zuckerman, Nathaniel Benjamin

2012-01-01T23:59:59.000Z

335

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

336

Liquids that form due to dynamics of the molecules that depend on the local density  

E-Print Network [OSTI]

RNA molecules in living cells form what look like liquid droplets formed by liquid/liquid phase separation. But unlike the molecules in conventional phase separating mixtures, RNA molecules are transported by molecular motors that consume energy and so are out of equilibrium. Motivated by this we consider what sort of simple rules for the dynamics of model mRNA molecules lead to liquid/liquid phase separation. We find that dynamics that slow as the local density of molecules increases, drive the formation of liquids. We also look at the analogous separation of the two blocks of a block copolymer, in which the monomers of one block have dynamics that depend on the local density of monomers of that block. We find that this block condenses and separates from the monomers of the other block. This is a simple model of the out-of-equilibrium domain formation found in the chromatin in the nucleus of cells.

Richard P. Sear

2015-03-26T23:59:59.000Z

337

An alternative approach based on microfluidics to study drug metabolism and toxicity using liver and intestinal tissue.  

E-Print Network [OSTI]

??A new in vitro system has been developed to study drug metabolism, drug-drug interactions and interorgan communication. As the ultimate goal was a system which… (more)

Midwoud, Paul Marcel van

2010-01-01T23:59:59.000Z

338

E-Print Network 3.0 - antiepileptic drug resistance Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Ashwin Kumaria & Christos M. Tolias & Summary: have been shown to underlie seizures, and conventional antiepileptic drugs have been shown to attenuate... for antiepileptic drugs....

339

E-Print Network 3.0 - amplifies stent-based drug Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

IN STENT-BASED DRUG DELIVERY Giuseppe Pontrelli*, Filippo de Monte** *IAC... . Hwang, D. Wu, E.R. Edelman, Physiological transport forces govern drug...

340

E-Print Network 3.0 - antipsychotic drug ykp1358 Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

and Idle, J.R. (1997). Antipsychotic drug-induced movement disorders... Fleischhacker, W.W., Meise, U., Gunther, V., and Kurz, M. (1994). Compliance with antipsychotic drug...

Note: This page contains sample records for the topic "antifungal drug molecules" 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

E-Print Network 3.0 - active drug delivery Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Clinic to introduce students to drug delivery, and in a senior-level elective... of the pharmaceutical industry today, with new drug ... Source: Hesketh, Robert - College of...

342

E-Print Network 3.0 - antimicrobial drug discovery Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

skills in drug discovery, drug development, and clinical care to enter a career... in the pharmaceutical industry, in pharmaceutical development extending from ... Source: Abagyan,...

343

E-Print Network 3.0 - advanced drug design Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

to this problem could be from rational drug design using Bioinformatics. The focus of the pharmaceutical industry... design. A successful and reliable drug design process could...

344

E-Print Network 3.0 - advanced drug delivery Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

nano-biomaterials, pharmaceuticals and drug delivery. They are exploring numerous... the pharmaceutical industry--the PTRC has created a novel inhaled drug delivery method that...

345

E-Print Network 3.0 - antimalarial drug discovery Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

REVIEWS | DRUG DISCOVERY VOLUME 3 | JUNE 2004 | 509 Summary: . Croft , Reto Brun|| and Solomon Nwaka Increased efforts in antimalarial drug discovery are urgently... for...

346

E-Print Network 3.0 - animal drugs change Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Biology and Medicine ; Environmental Sciences and Ecology 3 RESOLUTION ON THE USE OF CHEMICALS AND DRUGS IN AQUACULTURE Summary: Investigational New Animal Drug (INAD) permits and...

347

E-Print Network 3.0 - anticancer drug treatment Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Sciences. his research interests include drug design and discovery, database mining of small- Summary: an internationally recognized program in drug design and discovery...

348

E-Print Network 3.0 - anticancer drug analysis Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

products, can have antibiotic, anticancer, anticholesterolemic... , and other activities that make them useful as drugs or drug leads for the treatment ... Source: New...

349

E-Print Network 3.0 - anticancer drug development Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Sciences. his research interests include drug design and discovery, database mining of small- Summary: an internationally recognized program in drug design and discovery...

350

E-Print Network 3.0 - artery disease drugs Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Drug Plan Benefit Guide Revised 101510 Summary: artery disease or congestive heart failure) are eligible for the Value-Based Prescription Drug Plan... (Coronary Artery...

351

E-Print Network 3.0 - antirheumatic drug treatment Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

elderly: Pharmacy data as a tool for improvement Summary: Rochon PA, Gurwitz JH. Optimising drug treatment for elderly people: the prescribing cascade. BMJ 1997... for Drug...

352

E-Print Network 3.0 - antiparasital drug benznidazole Sample...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Pg. 1: Eligible Expenses & Documentation Pg. 2: Over-The-Counter Changes due to Health Care Reform Summary: and "reasonable limits" on OTC drugs, please see -http... drugs...

353

E-Print Network 3.0 - acute cutaneous drug Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

of Dundee Collection: Biology and Medicine 72 Practice research in the field of gout Clinical pharmacology of antihyperuricemic drugs Summary: -inflammatory drugs are often...

354

E-Print Network 3.0 - alternative drug interaction Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Mathematics 69 Summary and future perspectives Numerous publications identify that gout management is often sub-optimal, despite detailed Summary: -morbidities and drug- drug...

355

E-Print Network 3.0 - antithyroid drug treatment Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Science 57 Summary and future perspectives Numerous publications identify that gout management is often sub-optimal, despite detailed Summary: -morbidities and drug- drug...

356

E-Print Network 3.0 - anti-rheumatic drug treatment Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Science 91 Summary and future perspectives Numerous publications identify that gout management is often sub-optimal, despite detailed Summary: -morbidities and drug- drug...

357

E-Print Network 3.0 - anti-tuberculosis drugs induced Sample...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

drugs induced Page: << < 1 2 3 4 5 > >> 1 Practice research in the field of gout Clinical pharmacology of antihyperuricemic drugs Summary: was undergoing a course of...

358

E-Print Network 3.0 - assessing drug treatment Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Mathematics 28 Summary and future perspectives Numerous publications identify that gout management is often sub-optimal, despite detailed Summary: -morbidities and drug- drug...

359

E-Print Network 3.0 - arsenic-based antineoplastic drugs Sample...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Summary: Occupational Exposures to Antineoplastic and Other Hazardous Drugs in Health Care Settings" (http... Group 1 Carcinogens, Chemotherapy Waste and other Hazardous Drug...

360

E-Print Network 3.0 - antiparasitic drug nitazoxanide Sample...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Pg. 1: Eligible Expenses & Documentation Pg. 2: Over-The-Counter Changes due to Health Care Reform Summary: and "reasonable limits" on OTC drugs, please see -http... drugs...

Note: This page contains sample records for the topic "antifungal drug molecules" 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

E-Print Network 3.0 - antiinflammatory drug chemistry Sample...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

drug chemistry Search Powered by Explorit Topic List Advanced Search Sample search results for: antiinflammatory drug chemistry Page: << < 1 2 3 4 5 > >> 1 Novel Anti-Inflammatory...

362

E-Print Network 3.0 - anticancer drug pump Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Therapeutic Delivery (2010) 1(2), 323334 Special FocuS: oncology Summary: drug efflux pumps, increasing drug metabolism, enhancing self-repairing ability or expressing altered......

363

Cavity Quantum Electrodynamics with a Single Quantum Dot Coupled to a Photonic Molecule  

E-Print Network [OSTI]

We demonstrate the effects of cavity quantum electrodynamics for a quantum dot coupled to a photonic molecule, consisting of a pair of coupled photonic crystal cavities. We show anti-crossing between the quantum dot and the two super-modes of the photonic molecule, signifying achievement of the strong coupling regime. From the anti-crossing data, we estimate the contributions of both mode-coupling and intrinsic detuning to the total detuning between the super-modes. Finally, we also show signatures of off-resonant cavity-cavity interaction in the photonic molecule.

Arka Majumdar; Armand Rundquist; Michal Bajcsy; Jelena Vu?kovi?

2012-01-30T23:59:59.000Z

364

Observation of Bose-Einstein Condensation of Molecules Molecular condensates could lead to a host of new scientific explorations. These  

E-Print Network [OSTI]

of new scientific explorations. These include quantum gases with anisotropic dipolar interactions, tests-Einstein condensation of molecules was reported by three groups [1-3]. We observed BEC of lithium molecules. When a spin

365

Probing Interactions at the Nanoscale: Sensing Protein Molecules  

SciTech Connect (OSTI)

Introduction We have developed a high-frequency electronic biosensor of parallel-plate geometry that is embedded within a microfluidic device. This novel biosensor allows us to perform dielectric spectroscopy on a variety of biological samples—from cells to molecules—in solution. Because it is purely electronic, the sensor allows for rapid characterization with no sample preparation or chemical alteration. In addition, it is capable of probing length scales from millimeters to microns over a frequency range 50 MHz to 40 GHz, and sample volumes as small as picoliters [1,2]. Our high-frequency biosensor has evolved from previous device designs based on a coplanar waveguide (CPW) geometry [2]. For our current device, we employ microfluidic tectonics (µFT) [3] to embed two microstrip conductors within a microfluidic channel. The electronic coupling between the two conductors is greater than in our previous CPW design and more importantly, leads to an enhanced sensitivity. Our utilization of µFT allows us to incorporate easily this high-frequency electronic biosensor with a variety of lab-on-a-chip architectures. Device Description Figure 1 is a schematic of our high-frequency electronic biosensor. We fabricate this sensor by first depositing a 500 Ĺ seed layer of gold onto two glass microscope slides. We then use photolithography to pattern the gold that is subsequently electroplated to a thickness of 4-6 µm. After reactive-ion etching the photoresist and removing the unplated gold with a standard iodine-based gold etchant, we align the two slides under a microscope such that the microstrip conductors overlap one another in a parallel-plate geometry (80 µm x 500 µm). We control the separation between the microstrip conductors using gold foil spacers 3–25 µm thick. The foil additionally ensures coupling between the grounds on each slide. Following alignment, we employ µFT to bond the two glass slides together and to create a microfluidic channel running perpendicular to the microstrip conductors (see Figure 1). We complete the device by inserting 0.02” ID vinyl tubing through predrilled input and output holes of the device [3]. All of our devices are designed to have a 50 ? matched impedance and minimal insertion loss for 0.05 – 40 GHz. With these characteristics, we expect a sensitivity of 0.05 dB. Results By accessing frequencies > 20 GHz with our device, we can probe unique low-frequency vibrational or rotational modes of bio-macromolecules, since at these frequencies the counterions have fully relaxed, the dipole moment of water is rapidly decreasing, and the macroscopic distortions of macromolecules become important and are reflected in the obtained spectra. As a first demonstration, we have measured PCR products. We are able to distinguish between non-reacted primers for PCR amplification and reacted PCR products (24 amplification cycles). Figure 2 shows representative spectra of the two different DNA solutions obtained from a single device and scaled to DI water. We have obtained similar spectral features from additional devices and are currently developing a quantitative model to explain our results. This initial demonstration of molecular differentiation using a high-frequency electronic biosensor shows the great promise of electronic biosensing.

Sohn, Lydia; Weiss, Ron; Tavazoie, Saeed

2003-09-15T23:59:59.000Z

366

Essays on prescription drug benefits in Medicare managed care  

E-Print Network [OSTI]

In this thesis, I estimate a structural demand model for prescription drug benefits by Medicare beneficiaries using data from the Medicare HMO program. I then use the utility parameter estimates to explore other questions ...

Hall, Anne Elizabeth, 1971-

2005-01-01T23:59:59.000Z

367

Noninvasive quantification of drug delivery from an implantable MEMS device  

E-Print Network [OSTI]

(cont.) sensors in vivo in real time and corroborated by scintillation of urine samples. The goal of monitoring drug delivery from an implant in vivo, in real time and without disturbing the tissue environment, was ...

Johnson, Audrey M., 1976-

2005-01-01T23:59:59.000Z

368

Topo II: An Enzyme Target for Antibacterial and Cancer Drugs  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Topo II: An Enzyme Target for Antibacterial and Cancer Drugs Print The veil has finally been lifted on an enzyme that is critical to the process of DNA transcription and...

369

antiretroviral drug fosamprenavir: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

(0.08 m... Brouwers, Joachim 2006-10-25 3 Antiretroviral HIV treatment and care for injecting drug users: an evidence-based overview Physics Websites Summary: 1...

370

antidiabetic drugs present: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

data to perform a number of econometric studies to assess the health and economic impacts of new drug development and use. I hypothesize that people may obtain several kinds...

371

Needle-free drug delivery using shock wave techniques  

E-Print Network [OSTI]

A recent advancement in the area of needle-free injection systems has been the development of devices capable of epidermal delivery of powder medications. These devices use high-pressure compressed gas to accelerate drug ...

Pavlov, Atanas (Atanas Ivanov)

2006-01-01T23:59:59.000Z

372

A fully implantable intracochlear drug delivery device : development and characterization  

E-Print Network [OSTI]

In a collaborative effort with the Massachusetts Eye and Ear Infirmary, Draper Laboratory is developing an implantable microfluidic drug delivery system for long-term treatment of inner ear disorders and prevention of ...

Swan, Erin Eileen Leary, 1976-

2009-01-01T23:59:59.000Z

373

Page 1 of 5 Alcohol and Other Drugs  

E-Print Network [OSTI]

Free Workplace Policy. 2.0 POLICY STATEMENT In compliance with the federal government's Drug Free, because of Mines' status as a federal contractor and grant recipient and because marijuana use is still

374

Mechanism Based Anticancer Drugs that Degrade Sp Transcription Factors  

E-Print Network [OSTI]

Curcumin is the active component of tumeric, and this polyphenolic compound has been extensively investigated as an anticancer drug that modulates multiple pathways and genes. We demonstrated that curcumin inhibited 253JB-V and KU7 bladder cancer...

Chadalapaka, Gayathri

2013-03-14T23:59:59.000Z

375

Biosynthetic engineering for the assembly of better drugs  

E-Print Network [OSTI]

The declining prospects of innovator pharmaceutical companies have been attributed to their inability to discover leads that bind to novel protein domains. All of the 21,000-odd drug products that have ever been approved ...

Yadav, Vikramaditya Ganapati

2013-01-01T23:59:59.000Z

376

Cellular responses against DNA damaged by platinum anticancer drugs  

E-Print Network [OSTI]

The anticancer activity of platinum-based drugs such as cisplatin, carboplatin, and oxaliplatin is mediated by their ability to attack DNA such that generated adducts trigger numerous cellular responses. A better understanding ...

Jung, Yongwon, 1977-

2005-01-01T23:59:59.000Z

377

Near Infrared-Sensitive Nanoparticles for Targeted Drug Delivery  

E-Print Network [OSTI]

The invasive nature and undesirable side-effects related to conventional cancer therapy, such as surgery and chemotherapy, have led to the development of novel drug delivery systems (DDS). A minimally invasive DDS using ...

Tan, Mei Chee

378

Microcapsule drug delivery device for treatment of glioblastoma multiforme  

E-Print Network [OSTI]

Controlled-release drug delivery systems are capable of treating debilitating diseases, including cancer. Brain cancer, in particular glioblastoma multiforme (GBM), is an extremely invasive cancer with a dismal prognosis. ...

Scott, Alexander Wesley

2010-01-01T23:59:59.000Z

379

Engineered microtissue platforms for modeling human pathophysiology and drug metabolism  

E-Print Network [OSTI]

Over 50% of all drug candidates entering clinical trials are abandoned due to insufficient efficacy or unexpected safety issues despite extensive pre-clinical testing. Liver metabolites that cause toxicity or other side ...

Li, Cheri Yingjie

2013-01-01T23:59:59.000Z

380

antiangiogenic drug assessed: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

of 18 novel, anti-angiogenic 17- to 20-amino acid peptides Popel, Aleksander S. 10 Assessing malaria drug resistance in US military areas of operation using microarrays. Biology...

Note: This page contains sample records for the topic "antifungal drug molecules" 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

Towards engineering hormone-binding globulins as drug delivery agents  

E-Print Network [OSTI]

directly for destruction by the body’s immune system. There are currently three antibody-drug conjugates and 11 ‘naked’ monoclonal antibodies approved by the Food and Drug Administration for the treatment of cancers [9, 10]. Another form of immunotherapy... efficacy in many cases [50]. Currently, the most common chemotherapeutic treatment for malignant metastatic prostate cancer is docetaxel, a mitotic poison [51]. In the next part of this proof-of-concept experiment, we sought to show that it is possible...

Chan, Wee Lee; Zhou, Aiwu; Read, Randy J.

2014-11-26T23:59:59.000Z

382

The Born-Oppenheimer Approximation for Triatomic Molecules with Large Angular Momentum in Two Dimensions.  

E-Print Network [OSTI]

??We study the Born-Oppenheimer approximation for a symmetric linear triatomic molecule in two space dimensions. We compute energy levels up to errors of order ε5,… (more)

Bowman, Adam Shoresworth

2011-01-01T23:59:59.000Z

383

On single-molecule DNA sequencing with atomic force microscopy using functionalized carbon nanotube probes  

E-Print Network [OSTI]

A novel DNA sequencing method is proposed based on the specific binding nature of nucleotides and measured by an atomic force microscope (AFM). A single molecule of DNA is denatured and immobilized on an atomically fiat ...

Burns, Daniel James

2004-01-01T23:59:59.000Z

384

E-Print Network 3.0 - acid molecules interacting Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

of the TBP and Water on the Complexation of Uranyl Nitrate and the Dissolution of Nitric Acid into Supercritical CO2. A Theoretical Study Summary: molecules are involved in...

385

Magnetic Exchange Coupling and Single-Molecule Magnetism in Uranium Complexes  

E-Print Network [OSTI]

J. -P. ; Kahn, M. L. In Magnetism: Molecules to Materials V.R. Simple Models of Magnetism; Oxford University Press:for interpreting uranium magnetism and will be discussed in

Rinehart, Jeffrey Dennis

2010-01-01T23:59:59.000Z

386

E-Print Network 3.0 - alkanedithiol single-molecule junctions...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

electrodes to form a metal-molecule- metal junction. Alkanedithiols with 5, 6, 8 and 9 carbon atoms were... mode). As there are no clear multiples of the GA and GB, GC seems to...

387

Noncovalent ????? interaction between graphene and aromatic molecule: Structure, energy, and nature  

SciTech Connect (OSTI)

Noncovalent ????? interactions between graphene and aromatic molecules have been studied by using density functional theory with empirical dispersion correction (?B97X-D) combined with zeroth-order symmetry adapted perturbation theory (SAPT0). Excellent agreement of the interaction energies computed by means of ?B97X-D and spin component scaled (SCS) SAPT0 methods, respectively, shows great promise for the two methods in the study of the adsorption of aromatic molecules on graphene. The other important finding in this study is that, according to SCS-SAPT0 analyses, ????? interactions between graphene and aromatic molecules are largely dependent on both dispersion and electrostatic type interactions. It is also noticed that ????? interactions become stronger and more dispersive (less electrostatic) upon substitution of the very electronegative fluorine atoms onto the aromatic molecules.

Wang, Weizhou, E-mail: wzw@lynu.edu.cn, E-mail: ybw@gzu.edu.cn; Zhang, Yu [College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022 (China)] [College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022 (China); Wang, Yi-Bo, E-mail: wzw@lynu.edu.cn, E-mail: ybw@gzu.edu.cn [Department of Chemistry and Key Laboratory of Guizhou High Performance Computational Chemistry, Guizhou University, Guiyang 550025 (China)] [Department of Chemistry and Key Laboratory of Guizhou High Performance Computational Chemistry, Guizhou University, Guiyang 550025 (China)

2014-03-07T23:59:59.000Z

388

Ordering of water molecules between phospholipid bilayers visualized by coherent anti-Stokes  

E-Print Network [OSTI]

on a membrane surface (6­8). Molecular dynamics (MD) simulation studies (9, 10) have suggested that water on the excitation field polar- ization. Our results provide direct experimental evidence that water molecules close

Xie, Xiaoliang Sunney

389

Single-Molecule Protein Unfolding and Translocation by an ATP-Fueled Proteolytic Machine  

E-Print Network [OSTI]

All cells employ ATP-powered proteases for protein-quality control and regulation. In the ClpXP protease, ClpX is a AAA+ machine that recognizes specific protein substrates, unfolds these molecules, and then translocates ...

Aubin-Tam, Marie-Eve

390

E-Print Network 3.0 - adhesion molecule pecam Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

search results for: adhesion molecule pecam Page: << < 1 2 3 4 5 > >> 1 Molecular Biology of the Cell Vol. 11, 27932802, August 2000 Summary: The role of platelet endothelial...

391

Recent developments in single-molecule DNA mechanics Zev Bryant1,2  

E-Print Network [OSTI]

Recent developments in single-molecule DNA mechanics Zev Bryant1,2 , Florian C Oberstrass1 University, Stanford, CA 94305, USA Corresponding author: Bryant, Zev (zevry@stanford.edu) Current Opinion

Bryant, Zev

392

E-Print Network 3.0 - alkali iodide molecules Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

to be benzyl ) 1.9 10-17 cm2 molecule-1... with toluene, benzyl iodide, benzyl chloride, and methyl benzyl ketene as benzyl precursors. Their series Source: Oehlschlaeger,...

393

Thermodynamics for Single-Molecule Stretching Experiments J. M. Rubi,*, D. Bedeaux, and S. Kjelstrup  

E-Print Network [OSTI]

Thermodynamics for Single-Molecule Stretching Experiments J. M. Rubi,*, D. Bedeaux, and S to construct nonequilibrium thermodynamics for systems too small to be considered thermodynamically be viewed as a large thermodynamic system, we discuss the validity of nonequilibrium thermodynamics

Kjelstrup, Signe

394

Optical Recognition of Converted DNA Nucleotides for Single-Molecule DNA  

E-Print Network [OSTI]

Optical Recognition of Converted DNA Nucleotides for Single-Molecule DNA Sequencing Using Nanopore among individual nucleotides (nt). The system must be capable of differentiating among the four bases

395

High resolution laser spectroscopy of cesium and rubidium molecules with optically induced coherence  

E-Print Network [OSTI]

accurately and take into account Frack-Condon factors. 4. Conclusion In conclusion, we have observed Raman gain in the backward direction in rubidium diatomic molecules. We have performed simulations that support this interpreta- tion. Note here that what...

Chen, Hui

2006-10-30T23:59:59.000Z

396

From Artificial Atoms to Nanocrystal Molecules: Preparation and Properties of More Complex Nanostructures  

SciTech Connect (OSTI)

Quantum dots, which have found widespread use in fields such as biomedicine, photovoltaics, and electronics, are often called artificial atoms due to their size-dependent physical properties. Here this analogy is extended to consider artificial nanocrystal molecules, formed from well-defined groupings of plasmonically or electronically coupled single nanocrystals. Just as a hydrogen molecule has properties distinct from two uncoupled hydrogen atoms, a key feature of nanocrystal molecules is that they exhibit properties altered from those of the component nanoparticles due to coupling. The nature of the coupling between nanocrystal atoms and its response to vibrations and deformations of the nanocrystal molecule bonds are of particular interest. We discuss synthetic approaches, predicted and observed physical properties, and prospects and challenges toward this new class of materials.

Choi, Charina L; Alivisatos, A Paul

2009-10-20T23:59:59.000Z

397

Effects of Electron-Phonon Coupling in Single-Molecule Magnet...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Electron-Phonon Coupling in Single-Molecule Magnet Transport Junctions Using a Hybrid Density Functional Theory and Model Hamiltonian Approach Apr 04 2014 10:00 AM - 11:00 AM Alex...

398

Magnetic Exchange Coupling and Single-Molecule Magnetism in Uranium Complexes  

E-Print Network [OSTI]

in molecular uranium cluster chemistry. 13 Compound 2 ischemistry and small-molecule reactivity of uranium. AmongUranium Complexes by Jeffrey Dennis Rinehart Doctor of Philosophy in Chemistry

Rinehart, Jeffrey Dennis

2010-01-01T23:59:59.000Z

399

Prospects for the formation of ultracold polar ground state KCs molecules via an optical process  

E-Print Network [OSTI]

Heteronuclear alkali-metal dimers represent the class of molecules of choice for creating samples of ultracold molecules exhibiting an intrinsic large permanent electric dipole moment. Among them, the KCs molecule, with a permanent dipole moment of 1.92 Debye still remains to be observed in ultracold conditions. Based on spectroscopic studies available in the literature completed by accurate ab initio calculations, we propose several optical coherent schemes to create ultracold bosonic and fermionic KCs molecules in their absolute rovibrational ground level, starting from a weakly bound level of their electronic ground state manifold. The processes rely on the existence of convenient electronically excited states allowing an efficient stimulated Raman adiabatic transfer of the level population.

Borsalino, D; Aymar, M; Luc-Koenig, E; Dulieu, O; Bouloufa-Maafa, N

2015-01-01T23:59:59.000Z

400

An Optical Conveyor for Molecules Franz M. Weinert and Dieter Braun*  

E-Print Network [OSTI]

thermophoretic molecule drift. Arranged in a toroidal geometry, the conveyor accumulates a hundredfold excess speed Vmax ) 200 µm/s12,13 within the trapping region r thermophoretic drift V

Kersting, Roland

Note: This page contains sample records for the topic "antifungal drug molecules" 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

Single molecule quantitation and sequencing of rare translocations using microfluidic nested digital PCR  

E-Print Network [OSTI]

of individual tumors. Here, we report the development and application of a bead-based hemi-nested microfluidic droplet digital PCR (dPCR) technology to achieve ‘quantitative’ measurement and single-molecule sequencing of somatically acquired carcinogenic...

Shuga, Joe; Zeng, Yong; Novak, Richard; Lan, Qing; Tang, Xiaojiang; Rothman, Nathaniel; Vermeulen, Roel; Li, Laiyu; Hubbard, Alan; Zhang, Luoping; Mathies, Richard A.; Smith, Martyn T.

2013-06-23T23:59:59.000Z

402

Comment on Proof that the Hydrogen-Antihydrogen Molecule is Unstable  

E-Print Network [OSTI]

A recent claim that molecule H-antiH is unstable cannot be a proof as it is based on a wrong conjecture. This is illustrated with 4 examples, including observed natural hydrogen-antihydrogen oscillations never detected previously.

G. Van Hooydonk

2005-07-31T23:59:59.000Z

403

E-Print Network 3.0 - adaptor molecule grb2 Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

of Grb2 also bound to the pY175 peptide (not shown). None of the molecules examined... , PLC-1 and Grb2, but also SHIP1, bound to phosphorylated GST-LAT (Fig. 2A). None of the...

404

Single-Molecule Fluorescence Studies of Protein Folding and Conformational Xavier Michalet,* Shimon Weiss, and Marcus Jager*  

E-Print Network [OSTI]

Single-Molecule Fluorescence Studies of Protein Folding and Conformational Dynamics Xavier Michalet. Single-Molecule Fluorescence Studies of Protein Folding and Conformations at Equilibrium 1796 4-Molecule Protein Folding under Nonequilibrium Conditions 1808 6. Conclusion 1809 7. Acknowledgments 1810 8

Michalet, Xavier

405

Spin states of para-water and ortho-water molecule in gas and liquid phases  

E-Print Network [OSTI]

Spin degrees of freedom of water molecule in gas and liquid state were investigated in order to provide a reasonable answer about the unsolved problem of a long-term behavior of water spin isomers. The approach used involves an assumption that molecules change their spin state from a pure state to a mixed one when they interact with some sorts of adsorbent surface. Some models and conceptions of the quantum information processing were used.

V. K. Konyukhov

2009-09-23T23:59:59.000Z

406

Quantum-ionic features in the absorption spectra of homonuclear diatomic molecules  

E-Print Network [OSTI]

We show that additional features can emerge in the linear absorption spectra of homonuclear diatomic molecules when the ions are described quantum mechanically. In particular, the widths and energies of the peaks in the optical spectra change with the initial configuration, mass, and charge of the molecule. We introduce a model that can describe these features and we provide a quantitative analysis of the resulting peak energy shifts and width broadenings as a function of the mass.

Crawford-Uranga, A; Cardamone, D M

2015-01-01T23:59:59.000Z

407

SINGLE MOLECULE APPROACHES TO BIOLOGY, 2010 GORDON RESEARCH CONFERENCE, JUNE 27-JULY 2, 2010, ITALY  

SciTech Connect (OSTI)

The 2010 Gordon Conference on Single-Molecule Approaches to Biology focuses on cutting-edge research in single-molecule science. Tremendous technical developments have made it possible to detect, identify, track, and manipulate single biomolecules in an ambient environment or even in a live cell. Single-molecule approaches have changed the way many biological problems are addressed, and new knowledge derived from these approaches continues to emerge. The ability of single-molecule approaches to avoid ensemble averaging and to capture transient intermediates and heterogeneous behavior renders them particularly powerful in elucidating mechanisms of biomolecular machines: what they do, how they work individually, how they work together, and finally, how they work inside live cells. The burgeoning use of single-molecule methods to elucidate biological problems is a highly multidisciplinary pursuit, involving both force- and fluorescence-based methods, the most up-to-date advances in microscopy, innovative biological and chemical approaches, and nanotechnology tools. This conference seeks to bring together top experts in molecular and cell biology with innovators in the measurement and manipulation of single molecules, and will provide opportunities for junior scientists and graduate students to present their work in poster format and to exchange ideas with leaders in the field. A number of excellent poster presenters will be selected for short oral talks. Topics as diverse as single-molecule sequencing, DNA/RNA/protein interactions, folding machines, cellular biophysics, synthetic biology and bioengineering, force spectroscopy, new method developments, superresolution imaging in cells, and novel probes for single-molecule imaging will be on the program. Additionally, the collegial atmosphere of this Conference, with programmed discussion sessions as well as opportunities for informal gatherings in the afternoons and evenings in the beauty of the Il Ciocco site in Tuscany, provides an avenue for scientists from different disciplines to interact and brainstorm and promotes cross-disciplinary collaborations directed toward compelling biological problems.

Professor William Moerner

2010-07-09T23:59:59.000Z

408

Inorganic-Organic Molecules and Solids with Nanometer-Sized Pores  

SciTech Connect (OSTI)

We are constructing porous inorganic-organic hybrid molecules and solids, many of which contain coordinatively unsaturated metal centers. In this work, we use multifunctional ���²-diketone ligands as �¢����building blocks�¢��� to prepare extended-solid and molecular porous materials that are capable of reacting with a variety of guest molecules.

Maverick, Andrew W.

2011-12-17T23:59:59.000Z

409

Novel endothermic and exothermic ion-molecule reactions as observed in a Fourier transform mass spectrometer  

E-Print Network [OSTI]

NOVEL ENDOTHERMIC AND EXOTHERMIC ION-MOLECULE REACTIONS AS OBSERVED IN A FOURIER TRANSFORM MASS SPECTROMETER Thesis by DONALD LEE BRICKER II Submitted to the Graduate College of Texas A&M University in partial fulfillment of the requirements... for the degree of MASTER OF SCIENCE AUGUST 1986 Major Subject: Chemistry NOVEL ENDOTHERMIC AND EXOTHERMIC ION-MOLECULE REACTIONS AS OBSERVED IN A FOURIER TRANSFORM MASS SPECTROMETER A Thesis by Donald Lee Bricker II Approved as to style and content by...

Bricker, Donald Lee

1986-01-01T23:59:59.000Z

410

Single molecule junctions, where a molecule with its perfect chemical reproducibility and versatility is the active part of an electronic device,  

E-Print Network [OSTI]

and versatility is the active part of an electronic device, are a bottom-up solution to the miniaturization quest of modern electronics. Quantum dot molecules (QDM) represent a top-down one. A QDM is composed of two studied the influence of electron-electron and electron-phonon interaction on the transport

Schubart, Christoph

411

Viscosity, relaxation time, and dynamics within a model asphalt of larger molecules  

SciTech Connect (OSTI)

The dynamics properties of a new “next generation” model asphalt system that represents SHRP AAA-1 asphalt using larger molecules than past models is studied using molecular simulation. The system contains 72 molecules distributed over 12 molecule types that range from nonpolar branched alkanes to polar resins and asphaltenes. Molecular weights range from 290 to 890 g/mol. All-atom molecular dynamics simulations conducted at six temperatures from 298.15 to 533.15 K provide a wealth of correlation data. The modified Kohlrausch-Williams-Watts equation was regressed to reorientation time correlation functions and extrapolated to calculate average rotational relaxation times for individual molecules. The rotational relaxation rate of molecules decreased significantly with increasing size and decreasing temperature. Translational self-diffusion coefficients followed an Arrhenius dependence. Similar activation energies of ?42 kJ/mol were found for all 12 molecules in the model system, while diffusion prefactors spanned an order of magnitude. Viscosities calculated directly at 533.15 K and estimated at lower temperatures using the Debye-Stokes-Einstein relationship were consistent with experimental data for asphalts. The product of diffusion coefficient and rotational relaxation time showed only small changes with temperature above 358.15 K, indicating rotation and translation that couple self-consistently with viscosity. At lower temperatures, rotation slowed more than diffusion.

Li, Derek D.; Greenfield, Michael L., E-mail: greenfield@egr.uri.edu [Department of Chemical Engineering, University of Rhode Island, Kingston, Rhode Island 02881 (United States)

2014-01-21T23:59:59.000Z

412

Comparison of phenanthriplatin, a novel monofunctional platinum based anticancer drug candidate, with cisplatin, a classic bifunctional anticancer drug  

E-Print Network [OSTI]

Nucleotide excision repair, a DNA repair mechanism, is the major repair pathway responsible for removal of platinum-based anticancer drugs. In this study, 146 bp duplexes were prepared containing either a site-specific ...

Li, Meiyi, S.M. Massachusetts Institute of Technology

2012-01-01T23:59:59.000Z

413

-Draw a reaction mechanism based upon your gained knowledge of the reactivity of organic -Predict how organic molecules should interact with macromolecules, including components of  

E-Print Network [OSTI]

at Georgia Tech) and GT Engineers bookstore: 1) Book: "Essential Organic Chemistry", custom edition of organic molecules - Predict how organic molecules should interact with macromolecules, including of organic molecules in preventing childhood mortality, disrupting ecosystems, or driving sexual attraction

Houston, Paul L.

414

Drug-Free Workplace Program UT-B Contracts Page 1 of 1  

E-Print Network [OSTI]

Drug-Free Workplace Program UT-B Contracts Sep 2012 Page 1 of 1 drug-free-workplace-ext-sep12 DRUG-FREE, the Seller and its subcontractors working on the project site must maintain a drug-free workplace program. (B) If the Seller is an out-of-state entity, the Company may upon request allow a drug-free workplace

Pennycook, Steve

415

The use of carbon stable isotope ratios in drugs characterization  

SciTech Connect (OSTI)

Isotopic Ratio Mass Spectrometry (IRMS) is an effective toll to be used for drug product authentication. The isotopic composition could be used to assist in the differentiation between batches of drugs and assist in the identification of counterfeit materials on the market. Only two factors affect the isotopic ratios in pharmaceutical components: the isotopic composition of the raw materials and the synthetic processes performed upon them. Counterfeiting of pharmaceutical drugs threatens consumer confidence in drug products companies' economical well-being. In this preliminary study, the analyzed samples consist in two types of commercially available analgesics, which were purchases from Romanian pharmacies. Differences in ?{sup 13}C between batches from ?29.7 to ?31.6% were observed, demonstrating that this method can be used to differentiate among individual drug batches and subsequently identify counterfeits on the market. On the other hand, carbon isotopic ratios differences among producers were recorded, the variations being between ?31.3 to ?34.9% for the same type of analgesic, but from different manufactures.

Magdas, D. A., E-mail: gabriela.cristea@itim-cj.ro; Cristea, G., E-mail: gabriela.cristea@itim-cj.ro; Bot, A., E-mail: gabriela.cristea@itim-cj.ro; Mirel, V., E-mail: gabriela.cristea@itim-cj.ro [National Institute for Research and Development of Isotopic and Molecular Technologies, 65-103 Donath Str., 400293 Cluj-Napoca (Romania)

2013-11-13T23:59:59.000Z

416

Ordered quantum dot molecules and single quantum dots formed by self-organized anisotropic strain engineering  

SciTech Connect (OSTI)

An ordered lattice of lateral InAs quantum dot (QD) molecules is created by self-organized anisotropic strain engineering of an (In,Ga)As/GaAs superlattice (SL) template on GaAs(311)B by molecular-beam epitaxy, constituting a Turing pattern in solid state. The SL template and InAs QD growth conditions, such as the number of SL periods, growth temperatures, amount and composition of deposited (In,Ga)As, and insertion of Al-containing layers, are studied in detail for an optimized QD ordering within and among the InAs QD molecules on the SL template nodes, which is evaluated by atomic force microscopy. The average number of InAs QDs within the molecules is controlled by the thickness of the upper GaAs separation layer on the SL template and the (In,Ga)As growth temperature in the SL. The strain-correlated growth in SL template formation and QD ordering is directly confirmed by high-resolution x-ray diffraction. Ordered arrays of single InAs QDs on the SL template nodes are realized for elevated SL template and InAs QD growth temperatures together with the insertion of a second InAs QD layer. The InAs QD molecules exhibit strong photoluminescence (PL) emission up to room temperature. Temperature-dependent PL measurements exhibit an unusual behavior of the full width at half maximum, indicating carrier redistribution solely within the QD molecules.

Lippen, T. van; Noetzel, R.; Hamhuis, G.J.; Wolter, J.H. [European Institute of Telecommunication Technologies/Communication Technology, Basic Research and Applications (eiTT/COBRA) Inter-University Research Institute, Eindhoven University of Technology, 5600 MB Eindhoven (Netherlands)

2005-02-15T23:59:59.000Z

417

Complex organic molecules in organic-poor massive young stellar objects  

E-Print Network [OSTI]

Massive young stellar objects (MYSOs) with hot cores are classic sources of complex organic molecules. The origins of these molecules in such sources, as well as the small- and large-scale differentiation between nitrogen- and oxygen-bearing complex species, are poorly understood. We aim to use complex molecule abundances toward a chemically less explored class of MYSOs with weak hot organic emission lines to constrain the impact of hot molecular cores and initial ice conditions on the chemical composition toward MYSOs. We use the IRAM 30m and the Submillimeter Array to search for complex organic molecules over 8-16 GHz in the 1~mm atmospheric window toward three MYSOs with known ice abundances, but without luminous molecular hot cores. Complex molecules are detected toward all three sources at comparable abundances with respect to CH$_3$OH to classical hot core sources. The relative importance of CH$_3$CHO, CH$_3$CCH, CH$_3$OCH$_3$, CH$_3$CN, and HNCO differ between the organic-poor MYSOs and hot cores, howe...

Fayolle, Edith C; Garrod, Robin T; van Dishoeck, Ewine F; Bisschop, Suzanne E

2015-01-01T23:59:59.000Z

418

Blinking effect and the use of quantum dots in single molecule spectroscopy  

SciTech Connect (OSTI)

Highlights: Black-Right-Pointing-Pointer It is possible to eliminate the blinking effect of a water-soluble QD. Black-Right-Pointing-Pointer We provide a direct method to study protein function and dynamics at the single level. Black-Right-Pointing-Pointer QD, potent tool for single molecule studies of biochemical and biological processes. -- Abstract: Luminescent semiconductor nanocrystals (quantum dots, QD) have unique photo-physical properties: high photostability, brightness and narrow size-tunable fluorescence spectra. Due to their unique properties, QD-based single molecule studies have become increasingly more popular during the last years. However QDs show a strong blinking effect (random and intermittent light emission), which may limit their use in single molecule fluorescence studies. QD blinking has been widely studied and some hypotheses have been done to explain this effect. Here we summarise what is known about the blinking effect in QDs, how this phenomenon may affect single molecule studies and, on the other hand, how the 'on'/'off' states can be exploited in diverse experimental settings. In addition, we present results showing that site-directed binding of QD to cysteine residues of proteins reduces the blinking effect. This option opens a new possibility of using QDs to study protein-protein interactions and dynamics by single molecule fluorescence without modifying the chemical composition of the solution or the QD surface.

Rombach-Riegraf, Verena; Oswald, Peter; Bienert, Roland; Petersen, Jan [Albert-Ludwigs-Universitaet Freiburg, Institut fuer Physikalische Chemie, Albertstrasse 23a, 79104 Freiburg (Germany)] [Albert-Ludwigs-Universitaet Freiburg, Institut fuer Physikalische Chemie, Albertstrasse 23a, 79104 Freiburg (Germany); Domingo, M.P. [Instituto de Carboquimica (CSIC), Miguel Luesma 4, 50018 Zaragoza (Spain)] [Instituto de Carboquimica (CSIC), Miguel Luesma 4, 50018 Zaragoza (Spain); Pardo, Julian [Grupo Apoptosis, Inmunidad y Cancer, Departamento Bioquimica y Biologia Molecular y Celular, Fac. Ciencias, Universidad de Zaragoza, Zaragoza (Spain) [Grupo Apoptosis, Inmunidad y Cancer, Departamento Bioquimica y Biologia Molecular y Celular, Fac. Ciencias, Universidad de Zaragoza, Zaragoza (Spain); Fundacion Aragon I-D (ARAID), Gobierno de Aragon, Zaragoza (Spain); Immune Effector Cells Group, Aragon Health Research Institute (IIS Aragon), Biomedical Research Centre of Aragon (CIBA) Fundacion Aragon I-D - ARAID, Gobierno de Aragon, Zaragoza (Spain); Graeber, P. [Albert-Ludwigs-Universitaet Freiburg, Institut fuer Physikalische Chemie, Albertstrasse 23a, 79104 Freiburg (Germany)] [Albert-Ludwigs-Universitaet Freiburg, Institut fuer Physikalische Chemie, Albertstrasse 23a, 79104 Freiburg (Germany); Galvez, E.M., E-mail: eva@icb.csic.es [Instituto de Carboquimica (CSIC), Miguel Luesma 4, 50018 Zaragoza (Spain); Immune Effector Cells Group, Aragon Health Research Institute (IIS Aragon), Biomedical Research Centre of Aragon (CIBA) Fundacion Aragon I-D - ARAID, Gobierno de Aragon, Zaragoza (Spain)

2013-01-04T23:59:59.000Z

419

Linker-Induced Anomalous Emission of Organic-Molecule Conjugated Metal-Oxide Nanoparticles  

SciTech Connect (OSTI)

Semiconductor nanoparticles conjugated with organic- and dye-molecules to yield high efficiency visible photoluminescence (PL) hold great potential for many future technological applications. We show that folic acid (FA)-conjugated to nanosize TiO2 and CeO2 particles demonstrates a dramatic increase of photoemission intensity at wavelengths between 500 and 700 nm when derivatized using aminopropyl trimethoxysilane (APTMS) as spacer-linker molecules between the metal oxide and FA. Using density-functional theory (DFT) and time-dependent DFT calculations we demonstrate that the strong increase of the PL can be explained by electronic transitions between the titania surface oxygen vacancy (OV) states and the low-energy excited states of the FA/APTMS molecule anchored onto the surface oxygen bridge sites in close proximity to the OVs. We suggest this scenario to be a universal feature for a wide class of metal oxide nanoparticles, including nanoceria, possessing a similar band gap (3 eV) and with a large surface-vacancy-related density of electronic states. We demonstrate that the molecule-nanoparticle linker can play a crucial role in tuning the electronic and optical properties of nanosystems by bringing optically active parts of the molecule and of the surface close to each other.

Turkowski, Volodymyr; Babu, Suresh; Le, Duy; Kumar, Amit; Haldar, Manas K.; Wagh, Anil V.; Hu, Zhongjian; Karakoti, Ajay S.; Gesquiere, Andre J.; Law, Benedict; Mallik, Sanku; Rahman, Talat S.; Leuenberger, Michael N.; Seal, Sudipta

2012-06-26T23:59:59.000Z

420

Modeling Complex Organic Molecules in dense regions: Eley-Rideal and complex induced reaction  

E-Print Network [OSTI]

Recent observations have revealed the existence of Complex Organic Molecules (COMs) in cold dense cores and prestellar cores. The presence of these molecules in such cold conditions is not well understood and remains a matter of debate since the previously proposed "warm- up" scenario cannot explain these observations. In this article, we study the effect of Eley- Rideal and complex induced reaction mechanisms of gas-phase carbon atoms with the main ice components of dust grains on the formation of COMs in cold and dense regions. Based on recent experiments we use a low value for the chemical desorption efficiency (which was previously invoked to explain the observed COM abundances). We show that our introduced mechanisms are efficient enough to produce a large amount of complex organic molecules in the gas-phase at temperatures as low as 10K.

Ruaud, M; Hickson, K M; Gratier, P; Hersant, F; Wakelam, V

2014-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "antifungal drug molecules" from the National Library of EnergyBeta (NLEBeta).
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421

Exchange and correlation energies of ground states of atoms and molecules in strong magnetic fields  

E-Print Network [OSTI]

Using a Hartree-Fock mesh method and a configuration interaction approach based on a generalized Gaussian basis set we investigate the behaviour of the exchange and correlation energies of small atoms and molecules, namely th e helium and lithium atom as well as the hydrogen molecule, in the presence of a magnetic field covering the regime B=0-100a.u. In general the importance of the exchange energy to the binding properties of at oms or molecules increases strongly with increasing field strength. This is due to the spin-flip transitions and in particular due to the contributions of the tightly bound hydrogenic state s which are involved in the corresponding ground states of different symmetries. In contrast to the exchange energy the correlation energy becomes less relevant with increasing field strength. This holds for the individual configurations constituting the ground state and for the crossovers of the global ground state.

Schmelcher, P; Becken, W

1999-01-01T23:59:59.000Z

422

Electrochemical assembly of organic molecules by the reduction of iodonium salts  

DOE Patents [OSTI]

Methods are described for the electrochemical assembly of organic molecules on silicon, or other conducting or semiconducting substrates, using iodonium salt precursors. Iodonium molecules do not assemble on conducting surfaces without a negative bias. Accordingly, the iodonium salts are preferred for patterning applications that rely on direct writing with negative bias. The stability of the iodonium molecule to acidic conditions allows them to be used with standard silicon processing. As a directed assembly process, the use of iodonium salts provides for small features while maintaining the ability to work on a surface and create structures on a wafer level. Therefore, the process is amenable for mass production. Furthermore, the assembled monolayer (or multilayer) is chemically robust, allowing for subsequent chemical manipulations and the introduction of various molecular functionalities for various chemical and biological applications.

Dirk, Shawn M. (Albuquerque, NM); Howell, Stephen W. (Albuquerque, NM); Wheeler, David R. (Albuquerque, NM)

2009-06-23T23:59:59.000Z

423

High-order harmonic spectroscopy for molecular imaging of polyatomic molecules  

E-Print Network [OSTI]

High-order harmonic generation is a powerful and sensitive tool for probing atomic and molecular structures, combining in the same measurement an unprecedented attosecond temporal resolution with a high spatial resolution, of the order of the angstrom. Imaging of the outermost molecular orbital by high-order harmonic generation has been limited for a long time to very simple molecules, like nitrogen. Recently we demonstrated a technique that overcame several of the issues that have prevented the extension of molecular orbital tomography to more complex species, showing that molecular imaging can be applied to a triatomic molecule like carbon dioxide. Here we report on the application of such technique to nitrous oxide (N2O) and acetylene (C2H2). This result represents a first step towards the imaging of fragile compounds, a category which includes most of the fundamental biological molecules.

Negro, M; Faccialŕ, D; De Silvestri, S; Vozzi, C; Stagira, S

2014-01-01T23:59:59.000Z

424

Single molecule detection using charge-coupled device array technology. Technical progress report  

SciTech Connect (OSTI)

A technique for the detection of single fluorescent chromophores in a flowing stream is under development. This capability is an integral facet of a rapid DNA sequencing scheme currently being developed by Los Alamos National Laboratory. In previous investigations, the detection sensitivity was limited by the background Raman emission from the water solvent. A detection scheme based on a novel mode of operating a Charge-Coupled Device (CCD) is being developed which should greatly enhance the discrimination between fluorescence from a single molecule and the background Raman scattering from the solvent. Register shifts between rows in the CCD are synchronized with the sample flow velocity so that fluorescence from a single molecule is collected in a single moving charge packet occupying an area approaching that of a single pixel while the background is spread evenly among a large number of pixels. Feasibility calculations indicate that single molecule detection should be achieved with an excellent signal-to-noise ratio.

Denton, M.B.

1992-07-29T23:59:59.000Z

425

Detection of a branched alkyl molecule in the interstellar medium: iso-propyl cyanide  

E-Print Network [OSTI]

The largest non-cyclic molecules detected in the interstellar medium (ISM) are organic with a straight-chain carbon backbone. We report an interstellar detection of a branched alkyl molecule, iso-propyl cyanide (i-C3H7CN), with an abundance 0.4 times that of its straight-chain structural isomer. This detection suggests that branched carbon-chain molecules may be generally abundant in the ISM. Our astrochemical model indicates that both isomers are produced within or upon dust grain ice mantles through the addition of molecular radicals, albeit via differing reaction pathways. The production of iso-propyl cyanide appears to require the addition of a functional group to a non-terminal carbon in the chain. Its detection therefore bodes well for the presence in the ISM of amino acids, for which such side-chain structure is a key characteristic.

Belloche, Arnaud; Müller, Holger S P; Menten, Karl M

2014-01-01T23:59:59.000Z

426

Toward scalable information processing with ultracold polar molecules in an electric field: A numerical investigation  

SciTech Connect (OSTI)

We numerically investigate the possibilities of driving quantum algorithms with laser pulses in a register of ultracold NaCs polar molecules in a static electric field. We focus on the possibilities of performing scalable logical operations by considering circuits that involve intermolecular gates (implemented on adjacent interacting molecules) to enable the transfer of information from one molecule to another during conditional laser-driven population inversions. We study the implementation of an arithmetic operation (the addition of 0 or 1 on a binary digit and a carry in) which requires population inversions only and the Deutsch-Jozsa algorithm which requires a control of the phases. Under typical experimental conditions, our simulations show that high-fidelity logical operations involving several qubits can be performed in a time scale of a few hundreds of microseconds, opening promising perspectives for the manipulation of a large number of qubits in these systems.

Bomble, Laeetitia; Pellegrini, Philippe; Ghesquiere, Pierre [Laboratoire de Chimie Physique, Universite Paris-Sud, UMR 8000, Orsay F-91405 (France); Desouter-Lecomte, Michele [Laboratoire de Chimie Physique, Universite Paris-Sud, UMR 8000, Orsay F-91405 (France); Departement de Chimie, Universite de Liege, Bat B6c Sart Tilman, B-4000 Liege Belgium (Belgium)

2010-12-15T23:59:59.000Z

427

Elastic Cross Sections for Electron Collisions with Molecules Relevant to Plasma Processing  

SciTech Connect (OSTI)

Absolute electron-impact cross sections for molecular targets, including their radicals, are important in developing plasma reactors and testing various plasma processing gases. Low-energy electron collision data for these gases are sparse and only the limited cross section data are available. In this report, elastic cross sections for electron-polyatomic molecule collisions are compiled and reviewed for 17 molecules relevant to plasma processing. Elastic cross sections are essential for the absolute scale conversion of inelastic cross sections, as well as for testing computational methods. Data are collected and reviewed for elastic differential, integral, and momentum transfer cross sections and, for each molecule, the recommended values of the cross section are presented. The literature has been surveyed through early 2010.

Yoon, J.-S.; Song, M.-Y.; Kato, H.; Hoshino, M.; Tanaka, H.; Brunger, M. J.; Buckman, S. J.; Cho, H. [National Fusion Research Institute, Gwahangno 113, Yuseong-gu, Daejeon 305-333 (Korea, Republic of); Department of Material and Life Sciences, Sophia University, Tokyo 102-8554 (Japan); ARC Centre for Antimatter-Matter Studies, School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); ARC Centre for Antimatter-Matter Studies, Research School of Physics and Engineering, Australian National University, Canberra, Australian Capital Territory 0200 (Australia); Physics Department, Chungnam National University, Daejeon 305-764 (Korea, Republic of)

2010-09-15T23:59:59.000Z

428

Photoassociation of a cold-atom-molecule pair: Long-range quadrupole-quadrupole interactions  

SciTech Connect (OSTI)

The general formalism of the multipolar expansion of electrostatic interactions is applied to the calculation of the potential energy between an excited atom (without fine structure) and a ground-state diatomic molecule at large mutual separations. Both partners exhibit a permanent quadrupole moment so that their mutual long-range interaction is dominated by a quadrupole-quadrupole term, which is attractive enough to bind trimers. Numerical results are given for an excited Cs(6{sup 2}P) atom and a ground-state Cs{sub 2} molecule. The prospects for achieving photoassociation of a cold-atom-dimer pair are thus discussed and found promising. The formalism can be generalized to the long-range interaction between molecules to investigate the formation of cold tetramers.

Lepers, M.; Dulieu, O. [Laboratoire Aime Cotton, CNRS, UPR3321, Batiment 505, Universite Paris-Sud, F-91405 Orsay Cedex (France); Kokoouline, V. [Laboratoire Aime Cotton, CNRS, UPR3321, Batiment 505, Universite Paris-Sud, F-91405 Orsay Cedex (France); Department of Physics, University of Central Florida, Orlando, Florida 32816 (United States)

2010-10-15T23:59:59.000Z

429

Making ultracold molecules in a two-color pump-dump photoassociation scheme using chirped pulses  

SciTech Connect (OSTI)

This theoretical paper investigates the formation of ground state molecules from ultracold cesium atoms in a two-color scheme. Following previous work on photoassociation with chirped picosecond pulses [Luc-Koenig et al., Phys. Rev. A, 70, 033414 (2004)], we investigate stabilization by a second (dump) pulse. By appropriately choosing the dump pulse parameters and time delay with respect to the photoassociation pulse, we show that a large number of deeply bound molecules are created in the ground triplet state. We discuss (i) broad-bandwidth dump pulses which maximize the probability to form molecules while creating a broad vibrational distribution as well as (ii) narrow-bandwidth pulses populating a single vibrational ground state level, bound by 113 cm{sup -1}. The use of chirped pulses makes the two-color scheme robust, simple, and efficient.

Koch, Christiane P. [Laboratoire Aime Cotton, CNRS, Bat. 505, Campus d'Orsay, 91405 Orsay Cedex (France); Department of Physical Chemistry and Fritz Haber Research Center, Hebrew University, Jerusalem 91904 (Israel); Luc-Koenig, Eliane; Masnou-Seeuws, Francoise [Laboratoire Aime Cotton, CNRS, Bat. 505, Campus d'Orsay, 91405 Orsay Cedex (France)

2006-03-15T23:59:59.000Z

430

Effects of vibrational motion on core-level spectra of prototype organic molecules  

SciTech Connect (OSTI)

A computational approach is presented for prediction and interpretation of core-level spectra of complex molecules. Applications are presented for several isolated organic molecules, sampling a range of chemical bonding and structural motifs. Comparison with gas phase measurements indicate that spectral lineshapes are accurately reproduced both above and below the ionization potential, without resort to ad hoc broadening. Agreement with experiment is significantly improved upon inclusion of vibrations via molecular dynamics sampling. We isolate and characterize spectral features due to particular electronic transitions enabled by vibrations, noting that even zero-point motion is sufficient in some cases.

Uejio, Janel S.; Schwartz, Craig P.; Saykally, Richard J.; Prendergast, David

2008-08-21T23:59:59.000Z

431

Toward atomic resolution diffractive imaging of isolated molecules with x-ray free-electron lasers  

E-Print Network [OSTI]

We give a detailed account of the theoretical analysis and the experimental results of an x-ray-diffraction experiment on quantum-state selected and strongly laser-aligned gas-phase ensembles of the prototypical large asymmetric rotor molecule 2,5-diiodobenzonitrile, performed at the Linac Coherent Light Source [Phys. Rev. Lett. 112, 083002 (2014)]. This experiment is the first step toward coherent diffractive imaging of structures and structural dynamics of isolated molecules at atomic resolution, i. e., picometers and femtoseconds, using x-ray free-electron lasers.

Stern, Stephan; Filsinger, Frank; Rouzée, Arnaud; Rudenko, Artem; Johnsson, Per; Martin, Andrew V; Barty, Anton; Bostedt, Christoph; Bozek, John D; Coffee, Ryan N; Epp, Sascha; Erk, Benjamin; Foucar, Lutz; Hartmann, Robert; Kimmel, Nils; Kühnel, Kai-Uwe; Maurer, Jochen; Messerschmidt, Marc; Rudek, Benedikt; Starodub, Dmitri G; Thřgersen, Jan; Weidenspointner, Georg; White, Thomas A; Stapelfeldt, Henrik; Rolles, Daniel; Chapman, Henry N; Küpper, Jochen

2014-01-01T23:59:59.000Z

432

Electromagnetic wave propagation in a random distribution of C{sub 60} molecules  

SciTech Connect (OSTI)

Propagation of electromagnetic waves in a random distribution of C{sub 60} molecules are investigated, within the framework of the classical electrodynamics. Electronic excitations over the each C{sub 60} molecule surface are modeled by a spherical layer of electron gas represented by two interacting fluids, which takes into account the different nature of the ? and ? electrons. It is found that the present medium supports four modes of electromagnetic waves, where they can be divided into two groups: one group with shorter wavelength than the light waves of the same frequency and the other with longer wavelength than the free-space radiation.

Moradi, Afshin, E-mail: a.moradi@kut.ac.ir [Department of Engineering Physics, Kermanshah University of Technology, Kermanshah, Iran and Department of Nano Sciences, Institute for Studies in Theoretical Physics and Mathematics (IPM), Tehran (Iran, Islamic Republic of)

2014-10-15T23:59:59.000Z

433

Rotational state microwave mixing for laser cooling of complex diatomic molecules  

E-Print Network [OSTI]

We demonstrate the mixing of rotational states in the ground electronic state using microwave radiation to enhance optical cycling in the molecule yttrium (II) monoxide (YO). This mixing technique is used in conjunction with a frequency modulated and chirped continuous wave laser to slow longitudinally a cryogenic buffer gas beam of YO. We generate a measurable flux of YO below 10~m/s, directly loadable into a three-dimensional magneto-optical trap. This technique opens the door for laser cooling of molecules with more complex structure.

Yeo, Mark; Collopy, Alejandra L; Yan, Bo; Hemmerling, Boerge; Chae, Eunmi; Doyle, John M; Ye, Jun

2015-01-01T23:59:59.000Z

434

Langmuir Fiilms of Anthracene Derivatives on Liquid Mercury I: Symmetric Molecules  

SciTech Connect (OSTI)

The structure and phase sequence of liquid-mercury-supported Langmuir films (LFs) of two symmetric acenes, anthracene and anthraquinone, were studied by surface tensiometry and X-ray diffraction. At low coverage, both form a monolayer of surface-parallel, flat-lying, molecules. At high coverage, we find a monolayer of side-lying molecules, where the molecular plane is surface-normal, and the molecular long axis is surface-parallel. None of these phases exhibit long-range in-plane order.

Tamam,L.; Kraack, H.; Sloutskin, E.; Ocko, B.; Pershan, P.; Ofer, E.; Deutsch, M.

2007-01-01T23:59:59.000Z

435

Measurement of the nuclear polarization of hydrogen and deuterium molecules using a Lamb-shift polarimeter  

SciTech Connect (OSTI)

Lamb-shift polarimeters are used to measure the nuclear polarization of protons and deuterons at energies of a few keV. In combination with an ionizer, the polarization of hydrogen and deuterium atoms was determined after taking into account the loss of polarization during the ionization process. The present work shows that the nuclear polarization of hydrogen or deuterium molecules can be measured as well, by ionizing the molecules and injecting the H{sub 2}{sup +} (or D{sub 2}{sup +}) ions into the Lamb-shift polarimeter.

Engels, Ralf, E-mail: r.w.engels@fz-juelich.de; Gorski, Robert; Grigoryev, Kiril; Mikirtychyants, Maxim; Rathmann, Frank; Seyfarth, Hellmut; Ströher, Hans; Weiss, Philipp [Institut für Kernphysik, Forschungszentrum Jülich, Wilhelm-Johnen-Str. 1, 52428 Jülich (Germany); Kochenda, Leonid; Kravtsov, Peter; Trofimov, Viktor; Tschernov, Nikolay; Vasilyev, Alexander; Vznuzdaev, Marat [Laboratory of Cryogenic and Superconductive Technique, Petersburg Nuclear Physics Institute, Orlova Roscha 1, 188300 Gatchina (Russian Federation); Schieck, Hans Paetz gen. [Institut für Kernphysik, Universität zu Köln, Zülpicher Str. 77, 50937 Köln (Germany)

2014-10-15T23:59:59.000Z

436

High-precision spectroscopy of ultracold molecules in an optical lattice  

E-Print Network [OSTI]

The study of ultracold molecules tightly trapped in an optical lattice can expand the frontier of precision measurement and spectroscopy, and provide a deeper insight into molecular and fundamental physics. Here we create, image, and probe microkelvin $^{88}$Sr$_2$ molecules in a lattice, and demonstrate precise measurements of molecular parameters as well as coherent control of molecular quantum states using optical fields. We discuss the sensitivity of the system to dimensional effects, a new bound-to-continuum spectroscopy technique for highly accurate binding energy measurements, and prospects for new physics with this rich experimental system.

McGuyer, B H; Iwata, G Z; Tarallo, M G; Grier, A T; Apfelbeck, F; Zelevinsky, T

2015-01-01T23:59:59.000Z

437

Kelly Scientific Resources Kelly Scientific Resources yy BIOTECHNOLOGY DRUG &  

E-Print Network [OSTI]

Kelly Scientific Resources Kelly Scientific Resources yy BIOTECHNOLOGY DRUG & PHARMACEUTICAL · What Kelly Scientific Resources or staffing agencies are and how they work?they work? · How to work Role: ­ Northern California Recruiting and Business efforts for Kelly Scientific Resources ­ Promote

Puglisi, Joseph

438

Optimization and Simulation in Drug Development -Review and Analysis  

E-Print Network [OSTI]

in the context of the pharmaceutical industry. 4 #12; 1 Introduction The presen-Eriksen and Jens Clausen Keywords: Pharmaceutical R&D, Drug Discovery and Development, Modelling and sim- ulation, Clinical Trial Simulation Portfolio optimization 1 #12; Contents 1 Introduction 5 2 Pharmaceutical products

439

Rigor Through the Lens of Drug Discovery and Development  

E-Print Network [OSTI]

flavors of incentives: economic, social, and moral. · Academic and Industrial cultures/ incentivesRigor Through the Lens of Drug Discovery and Development · The game · Culture and incentives · Our and development? · Resources: Money, time, and access to multiple non-academic skill sets · Incentives/ Culture

440

Protein Dynamics in Drug Combinations: a Linear Superposition  

E-Print Network [OSTI]

on cells and organisms. Little is known about how drugs affect protein dynamics that deter- mine or activity) of one of the cells proteins (Figure 1). The goal is to guide the cell from a ``sick state'' to a ``healthy state'' in a rational manner (or, in the case of cancer, from a living cancer cell to a dead

Note: This page contains sample records for the topic "antifungal drug molecules" 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

Drug Delivery DOI: 10.1002/anie.200802260  

E-Print Network [OSTI]

of a model compound, luciferin, from poly(lactic acid) (PLA) particles (approximately 250­350 nm in size nanoparticle could be engineered to target different cells.[3,6] PLA is an Food and Drug Administration (FDA with supercritical carbon dioxide (sc-CO2). PLA can also serve as a representative material for our process which can

Zare, Richard N.

442

Nearly all current drugs for osteoporosis act by inhibiting the  

E-Print Network [OSTI]

for the development of osteoporosis in post-menopausal women. Control mice developed an osteopaenia, whereas mice fedNearly all current drugs for osteoporosis act by inhibiting the resorption of bone, and novel or reverse this disease in rodents. Osteoporosis is characterized by decreased bone density and strength

443

Smart drug discovery leveraging innovative technologies and predictive knowledge  

E-Print Network [OSTI]

the risk of failure. Owing to the integration of key in silico and experimental tools. A positive aspect of this paradigm shift includes faster,strategic decision making with respect to drug targets from the human genome pro- vides opportunities for detailed analysis of structure and function

Cai, Long

444

(c) Meade & Roach, LLP 1 Medicare's Impact on Cardiology Drugs  

E-Print Network [OSTI]

(c) Meade & Roach, LLP 1 Medicare's Impact on Cardiology Drugs and Devices During Clinical Research Ryan Meade, JD Meade & Roach, LLP July 15, 2008 Baltimore, Maryland University of Maryland School of Medicine #12;(c) Meade & Roach, LLP 2 Overview Theme: Understanding Medicare reimbursement helps

Weber, David J.

445

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

446

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

447

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

E-Print Network [OSTI]

methylene chloride and acetonitrile solvent molecules aremethylene chloride CH 3 CN acetonitrile calcd calculated xiiand co-crystallized benzene and acetonitrile are omitted for

Lam, Oanh Phi

2010-01-01T23:59:59.000Z

448

ccsd00000540 Production of Long-Lived Ultracold Li 2 Molecules from a Fermi gas  

E-Print Network [OSTI]

and sign of the scattering length. In bosonic samples, the collapse of Bose-Einstein condensates (BEC a Fermi gas J. Cubizolles 1 , T. Bourdel 1 , S. J. J. M. F. Kokkelmans 1 , G.V. Shlyapnikov 1;2;3 and C-bound Li2 molecules from a degenerate two component Fermi gas by sweeping a magnetic #12;eld across

449

Making ultracold molecules in a two-color pump-dump photoassociation scheme using chirped pulses  

E-Print Network [OSTI]

formed in a degenerate gas, starting either from an atomic Bose-Einstein condensate 2­6 or from an atomic groups are working at the production of dense samples of cold T 1 K or ultracold T 100 K mol- ecules 1 . Moreover, the field of molecular condensates has opened recently, with experimental evidence for molecules

Koch, Christiane

450

Binding and Translocation of Termination Factor Rho Studied at the Single-Molecule Level  

E-Print Network [OSTI]

Binding and Translocation of Termination Factor Rho Studied at the Single-Molecule Level Daniel J; force spectroscopy Rho termination factor is an essential hexameric helicase responsible for terminating to investigate Rho­RNA binding in- teractions at the Rho utilization site of the tR1 terminator. Our results

Straight, Aaron

451

Mitochondrial genome of the moon jelly Aurelia aurita (Cnidaria, Scyphozoa): A linear DNA molecule  

E-Print Network [OSTI]

Metazoa ­ has been determined. This sequence contains genes for 13 energy pathway proteins, small of the molecule are nearly identical but inverted and lack any obvious potential secondary structures or telomere that carries a conserved set of 37 compactly arrayed genes coding for 13 proteins, two rRNAs and 22 t

Lavrov, Dennis V.

452

SUPPORTING INFORMATION Single-Molecule Imaging of an In Vitro Evolved RNA Aptamer Reveals Homogeneous  

E-Print Network [OSTI]

S1 SUPPORTING INFORMATION Single-Molecule Imaging of an In Vitro Evolved RNA Aptamer Reveals Hughes Medical Institute and Center for Computational and Integrative Biology , Massachusetts General included the oxygen scavenging system components: 50 nM protocatechuate 3,4-dioxygenase (Sigma), 2.5 mM 3

Heller, Eric

453

Recovery of Free Energy Branches in Single Molecule Experiments Ivan Junier,1  

E-Print Network [OSTI]

Recovery of Free Energy Branches in Single Molecule Experiments Ivan Junier,1 Alessandro Mossa,2 19 February 2009) We present a method for determining the free energy of coexisting states from use optical tweezers to determine the free energy branches of the native and unfolded states of a two

Ritort, Felix

454

Surfactant Organic Molecules Restore Magnetism in Metal-Oxide Nanoparticle Surfaces  

E-Print Network [OSTI]

Surfactant Organic Molecules Restore Magnetism in Metal-Oxide Nanoparticle Surfaces Juan Salafranca, Nashville, Tennessee 37235, United States *S Supporting Information ABSTRACT: The properties of magnetic nanoparticles tend to be depressed by the unavoidable presence of a magnetically inactive surface layer. However

Pennycook, Steve

455

Self-Assembled Metal/Molecule/Semiconductor Nanostructures for Electronic Device  

E-Print Network [OSTI]

565 Self-Assembled Metal/Molecule/Semiconductor Nanostructures for Electronic Device and Contact attracted interest for electronic device and ma- terials applications. The first class involves the for-assembled semiconductor structures, the electronic device functionality has been limited by the difficulty in achieving

Woodall, Jerry M.

456

Vapor phase deposition of oligo,,phenylene ethynylene... molecules for use in molecular electronic devices  

E-Print Network [OSTI]

, many groups have made headway fab- ricating molecular electronic test devices.1­18 These devices exceptions,22,23 the field of mo- lecular electronics is plagued by problems including a lack of deviceVapor phase deposition of oligo,,phenylene ethynylene... molecules for use in molecular electronic

Bean, John C.

457

Scintillators based on aromatic dye molecules doped in a sol-gel and N. Solovieva  

E-Print Network [OSTI]

Scintillators based on aromatic dye molecules doped in a sol-gel glass host M. Nikla and N. Fast energy transfer from the glass host to the dye luminescent centers was found. While the overall. In a trial to combine organic dye-based emission centers with an inorganic host, lead

Strathclyde, University of

458

Energy Localization in Molecules, Bifurcation Phenomena, and Their Spectroscopic Signatures: The Global View  

E-Print Network [OSTI]

of which require a comprehensive understanding of molecular dynamics. Generally, elementary chemical analysis, valid at low excitation energies, inaccurate. The molecular potential energy surfaces (PESs of vibrationally excited and reacting molecules. As found for general nonlinear dynamical systems with a few

459

INNER SHELL EXCITATION OF ATOMS AND MOLECULES BY ELECTRON IMPACT WITH HIGH ENERGY RESOLUTION  

E-Print Network [OSTI]

INNER SHELL EXCITATION OF ATOMS AND MOLECULES BY ELECTRON IMPACT WITH HIGH ENERGY RESOLUTION F. H resolution energy loss spectra for inner shell excited states, (2) the observa- tion of inner shell excited are the subject of the present review. The inner shell states that can usefully be studied with energy resolutions

Paris-Sud XI, Université de

460

Single-Molecule Protein Unfolding and Translocation by an ATP-Fueled  

E-Print Network [OSTI]

Single-Molecule Protein Unfolding and Translocation by an ATP-Fueled Proteolytic Machine Marie ATP-powered proteases for protein- quality control and regulation. In the ClpXP protease, Clp with ClpXP. INTRODUCTION In all organisms, AAA+ family molecular machines harness the energy of ATP binding

Lang, Matthew

Note: This page contains sample records for the topic "antifungal drug molecules" 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.


461

Electronic States of Organic Molecules. 3. Photoelectron Spectra of Cycloalkenes and  

E-Print Network [OSTI]

in assigning the I P Sand because the molecules were small enough so that the restricted Har- tree-Fock wave along with those of related open chain compounds. The calculated MO energies using a 4-31G basis set are also given. A good correlation between ionization potentials and MO energies was found

Ellison, Barney

462

Molecules in Space & Laboratory, Paris, 2007 J.L. Lemaire & F. Combes (eds)  

E-Print Network [OSTI]

, and Tdust = 120K. 100K, only water, whose binding energy is high, accretes onto the grains. This waterMolecules in Space & Laboratory, Paris, 2007 J.L. Lemaire & F. Combes (eds) CHEMICAL MODELS OF HOT rates on gas temperature and of deple- tion rates on dust temperature. Physical properties

Millar, Tom

463

The Future of Brain Research From Molecules to Mind and Back  

E-Print Network [OSTI]

The Future of Brain Research From Molecules to Mind and Back: Comments for Discussion Yadin Dudai The Weizmann Institute of Science Privileged communication #12;Internal representations are: Tenets The brain of brain research: How are internal representations encoded and manipulated in the brain to result

Joskowicz, Leo

464

Ultracold Molecules from Ultracold Atoms: Interactions in Sodium and Lithium Gas  

E-Print Network [OSTI]

Ultracold Molecules from Ultracold Atoms: Interactions in Sodium and Lithium Gas by Caleb from Ultracold Atoms: Interactions in Sodium and Lithium Gas by Caleb A Christensen Submitted of Philosophy Abstract The thesis presents results from experiments in which ultracold Sodium-6 and Lithium-23

465

Matrix-Induced Intensity Fluctuations in the Fluorescence from Single Oligo(phenylenevinylene) Molecules  

E-Print Network [OSTI]

trajectories, spectral shape and position, and fluorescence lifetimes can be used to investigate the chemical and theoretical reports have demonstrated how a fluctuating dielectric nanoenvironment surrounding a polarizable factors on molecular conforma- tion.15,16 In all of these studies, the fluorescent probe molecule is used

Buratto, Steve

466

Single-Molecule Microscopy Studies of Electric-Field Poling in Chromophore-Polymer Composite Materials  

E-Print Network [OSTI]

Single-Molecule Microscopy Studies of Electric-Field Poling in Chromophore-Polymer Composite electrooptic devices based on chromophore-polymer composite materials is to improve chromophore ordering of susceptibility.16 Chromophore-polymer composite materials lack inherent non- centrosymmetry, which is required

Reid, Philip J.

467

Tetrakis(1-imidazolyl) borate (BIM4) based zwitterionic and related molecules used as electron injection layers  

DOE Patents [OSTI]

Tetrakis(1-imidazolyl)borate (BIm4) based zwitterionic and/or related molecules for the fabrication of PLEDs is provided. Device performances with these materials approaches that of devices with Ba/Al cathodes for which the cathode contact is ohmic. Methods of producing such materials, and electron injection layers and devices containing these materials are also provided.

Li, Huaping; Xu, Yunhua; Bazan, Guillermo C

2013-02-05T23:59:59.000Z

468

Species-specific residues calibrate SoxR sensitivity to redox-active molecules  

E-Print Network [OSTI]

to viologens, which have redox potentials below -350 mV. Using a mutagenic approach, we pin- pointed threeSpecies-specific residues calibrate SoxR sensitivity to redox-active molecules Rebecca Sheplock,1, the transcription factor SoxR triggers a global stress response by sensing a broad spectrum of redox

Dietrich, Lars

469

Density-Functional-Theory Calculations of Matter in Strong Magnetic Fields: I. Atoms and Molecules  

E-Print Network [OSTI]

We present new ab initio calculations of the electronic structure of various atoms and molecules in strong magnetic fields ranging from B=10^12 G to 2x10^15 G, appropriate for radio pulsars and magnetars. For these field strengths, the magnetic forces on the electrons dominate over the Coulomb forces, and to a good approximation the electrons are confined to the ground Landau level. Our calculations are based on the density functional theory, and use a local magnetic exchange-correlation function which is tested to be reliable in the strong field regime. Numerical results of the ground-state energies are given for H_N (up to N=10), He_N (up to N=8), C_N (up to N=5) and Fe_N (up to N=3), as well as for various ionized atoms. Fitting formulae for the B-dependence of the energies are also given. In general, as N increases, the binding energy per atom in a molecule, |E_N|/N, increases and approaches a constant value. For all the field strengths considered in this paper, hydrogen, helium, and carbon molecules are found to be bound relative to individual atoms (although for B less than a few x 10^12 G, the relative binding between C and C_2 is small). Iron molecules are not bound at B<10^13 G, but become energetically more favorable than individual atoms at larger field strengths.

Zach Medin; Dong Lai

2007-01-05T23:59:59.000Z

470

Tracking molecules at video rate Scientists push SRS microscopy to new levels of spatial precision  

E-Print Network [OSTI]

Tracking molecules at video rate Scientists push SRS microscopy to new levels of spatial precision at Harvard University, is so fast and sensitive it can capture "video" of blood cells squeezing through at the subcellular level, catching video of proteins, lipids, and water within cells. "When we started this project

Heller, Eric

471

Combined photoelectron spectroscopy and ab initio study of the hypermetallic Al3C molecule  

E-Print Network [OSTI]

Combined photoelectron spectroscopy and ab initio study of the hypermetallic Al3C molecule February 1999 The chemical structure and bonding of the hypermetallic Al3C and Al3C species have been studied by photoelectron spectroscopy and ab initio calculations. Al3C is found to have a planar

Simons, Jack

472

Self-Assembly in Mixtures of Polymers and Small Associating Molecules Haim Diamant and David Andelman*  

E-Print Network [OSTI]

Self-Assembly in Mixtures of Polymers and Small Associating Molecules Haim Diamant and David of the interaction, compete with intrachain repulsion and eventually drive a joint self-assembly of the two species with experiments on the onset of self-assembly in diverse polymer- surfactant systems. The threshold concentration

Andelman, David

473

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.

474

Supporting Information to: Single-Molecule Electrocatalysis by Single-Walled Carbon Nanotubes  

E-Print Network [OSTI]

S1 Supporting Information to: Single-Molecule Electrocatalysis by Single-Walled Carbon Nanotubes. Experimental Methods I.1. Purification of SWNTs. The single-walled carbon nanotubes were purchased from Carbon Nanotechnologies Incorporated (Purified HiPCO single-walled carbon nanotubes). These SWNTs have an average diameter

Chen, Peng

475

Frontiers in Laser Cooling, Single-Molecule Biophysics, and Enrgy Science: A Talk by Carl Wieman  

SciTech Connect (OSTI)

Carl Wieman presents a talk at Frontiers in Laser Cooling, Single-Molecule Biophysics and Energy Science, a scientific symposium honoring Steve Chu, director of Lawrence Berkeley National Laboratory and recipient of the 1997 Nobel Prize in Physics. The symposium was held August 30, 2008 in Berkeley.

Wieman, Carl

2008-08-30T23:59:59.000Z

476

Water clusters: Untangling the mysteries of the liquid, one molecule at a time  

E-Print Network [OSTI]

to accurately calculate the properties of liquid water (e.g., heat capacity, density, dielectric constantWater clusters: Untangling the mysteries of the liquid, one molecule at a time Frank N. Keutsch- ative hydrogen bonding and promises to lead to a more complete molecular description of the liquid

Cohen, Ronald C.

477

Single-Molecule Study of DNA Polymerization Activity of HIV-1 Reverse Transcriptase on DNA Templates  

E-Print Network [OSTI]

Single-Molecule Study of DNA Polymerization Activity of HIV-1 Reverse Transcriptase on DNA unwinding protein, such as a helicase. In order to understand the mechanism of polymerization through secondary structures, we investigated the DNA polymerization activity of HIV-1 RT on long ssDNA templates

Xie, Xiaoliang Sunney

478

Strong-field approximation for ionization of a diatomic molecule by a strong laser field  

SciTech Connect (OSTI)

We present a theory of ionization of diatomic molecules by a strong laser field. A diatomic molecule is considered as a three-particle system, which consists of two heavy atomic (ionic) centers and an electron. After the separation of the center-of-mass coordinate, the dynamics of this system is reduced to the relative electronic and nuclear coordinates. The exact S-matrix element for ionization is presented in a form in which the laser-molecule interaction is emphasized. This form is useful for application of the molecular strong-field approximation (SFA). We introduced two forms of the molecular SFA, one with the field-free and the other with the field-dressed initial molecular bound state. We relate these two forms of our modified molecular SFA to the standard molecular SFAs, introduced previously using the length gauge and the velocity gauge. Numerical examples of the ionization rates of N{sub 2} and O{sub 2} molecules are shown and compared for all four versions of the molecular SFA and we suggest that our modified molecular SFA should be used instead of the standard molecular SFA.

Milosevic, D. B. [Faculty of Science, University of Sarajevo, Zmaja od Bosne 35, 71000 Sarajevo, Bosnia and Herzegovina and Max-Born-Institut, Max-Born-Strasse 2a, 12489 Berlin (Germany)

2006-12-15T23:59:59.000Z

479

Boosting Potato Defence Against Late A Study from Field to Molecule  

E-Print Network [OSTI]

Boosting Potato Defence Against Late Blight A Study from Field to Molecule Therése Bengtsson Cover: A hypersensitive response (HR)-like lesion in a BABA-treated leaflet of the potato cultivar by trypan blue. (photo: T. Bengtsson) #12;Boosting Potato Defence Against Late Blight. A Study from Field

480

Single-molecule spectroscopy of protein folding in a chaperonin cage  

E-Print Network [OSTI]

Single-molecule spectroscopy of protein folding in a chaperonin cage Hagen Hofmanna , Frank for avoiding protein aggregation in vivo, but it is still unclear how they affect protein folding mechanisms In the recent past, a large number of components have been identified that control and modulate protein folding

Lipman, Everett A.

Note: This page contains sample records for the topic "antifungal drug molecules" 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.


481

Single-molecule protein folding: Diffusion fluorescence resonance energy transfer studies  

E-Print Network [OSTI]

Single-molecule protein folding: Diffusion fluorescence resonance energy transfer studies for protein folding studies and has been extensively stud- ied, both experimentally (at the ensemble level concentration. It is shown that new infor- mation about different aspects of the protein folding reaction can

Croquette, Vincent

482

Microfluidic separation and capture of analytes for single-molecule spectroscopy{  

E-Print Network [OSTI]

Microfluidic separation and capture of analytes for single-molecule spectroscopy{ Samuel Kim,a Bo and molecular biology.2 Here we present a general technique that uses a microfluidic platform to integrate-lifetime imaging has been limited to continuous flow.5 In the case of a microfluidic separation, the analyte passes

Zare, Richard N.

483

Deep superconducting magnetic traps for neutral atoms and molecules J. G. E. Harris,a)  

E-Print Network [OSTI]

2003 We describe the design, construction and performance of three realizations of a high of the coils into a cryogenic vacuum environment suitable for producing cold atoms and molecules. © 2004 atomic vapors away from material walls, thereby breaking thermal contact be- tween the trapped atoms

Harris, Jack

484

Tests of time independence of the electron and nuclear masses with ultracold molecules S. Schiller  

E-Print Network [OSTI]

Tests of time independence of the electron and nuclear masses with ultracold molecules S. Schiller. Korobov Joint Institute for Nuclear Research, 141980, Dubna, Russia Received 18 June 2004; published 17 on the time independence of electron-to-nuclear and nuclear-nuclear mass ratios by comparing, via an optical

Schiller, Stephan

485

Evidence for thermalization of surface-desorbed molecules at heating rates of 108  

E-Print Network [OSTI]

Evidence for thermalization of surface-desorbed molecules at heating rates of 108 K/s C. R of aniline-d7 from a single-crystal surface 0001 of sapphire Al2O3 at a heating rate on the order of 108 K/s was studied using pulsed infrared laser radiation for desorption and resonance enhanced multiphoton ionization

Zare, Richard N.

486

Magnetization and EPR studies of the single molecule magnet Ni4 with integrated sensors  

E-Print Network [OSTI]

Magnetization and EPR studies of the single molecule magnet Ni4 with integrated sensors G. de 2007 Integrated magnetic sensors that allow simultaneous EPR and magnetization measurements have been with a micro-Hall effect magnetometer. EPR spectroscopy is used to determine the energy splitting between

del Barco, Enrique

487

FEATURE ARTICLE Photoexcitation, Ionization, and Dissociation of Molecules Using Intense Near-Infrared  

E-Print Network [OSTI]

FEATURE ARTICLE Photoexcitation, Ionization, and Dissociation of Molecules Using Intense Near-Infrared The coupling mechanism between an intense (1013 W cm-2, 780 nm) near-infrared radiation field of duration 50 above threshold dissociation,3 multiple electron emission,4 and mo- lecular ionization using near-infrared

Levis, Robert J.

488

Geometry optimization methods for modeling large molecules O don Farkasa,*, H. Bernhard Schlegelb  

E-Print Network [OSTI]

Geometry optimization methods for modeling large molecules O¨ do¨n Farkasa,*, H. Bernhard Schlegelb, Wayne State University, Detroit, USA Abstract Geometry optimization is an essential part of quantum that there are different requirements for a chosen optimization method. The proposed method aims to meet two requirements

Schlegel, H. Bernhard

489

Rotational energy analysis for rotatingvibrating linear molecules in classical trajectory simulation  

E-Print Network [OSTI]

Rotational energy analysis for rotating­vibrating linear molecules in classical trajectory-specific vibrational energy analysis reported previously, the present method allows a reliable separation of the total calculation,6 one wishes to carry out mode-specific energy analysis at the end of each trajectory run

Kim, Myung Soo

490

Mode-specific energy analysis for rotating-vibrating triatomic molecules in classical trajectory simulation  

E-Print Network [OSTI]

Mode-specific energy analysis for rotating-vibrating triatomic molecules in classical trajectory A method for the mode-specific energy analysis in a classical trajectory calculation is developed. The pure, suggesting that the present method is adequate for the mode-specific energy analysis of classical trajectory

Kim, Myung Soo

491

Nonlinear optical spectroscopy of single, few, and many molecules: Nonequilibrium Green's function QED approach  

E-Print Network [OSTI]

Nonlinear optical spectroscopy of single, few, and many molecules: Nonequilibrium Green's function optical signals from an assembly of N noninteracting particles consist of an incoherent and a coherent types of signals is developed using a quantum electrodynamical QED treatment of the optical fields

Mukamel, Shaul

492

Optical Detection and Manipulation of Single Molecules in Room-Temperature Solutions  

E-Print Network [OSTI]

CONCEPTS Optical Detection and Manipulation of Single Molecules in Room-Temperature Solutions. Keywords: single-moleculedetection - single-moleculema- nipulation - laser-induced fluorescence * optical, frcquency-modulated optical ab- sorption and fluorescence excitation have been used to investi- gate

Zare, Richard N.

493

Thermal and electrical properties of porphyrin derivatives and their relevance for molecule interferometry  

E-Print Network [OSTI]

of thermal and electrical properties for two porphyrin derivatives. They determine their sublimation enthalpy in physics and chemistry.1 They are of interest because of their numerous potential applications from of the molecules at 650 K. II. MOLECULAR SUBLIMATION ENTHALPIES In order to determine the sublimation properties

494

Frontiers in Laser Cooling, Single-Molecule Biophysics, and Enrgy Science: A Talk by Carl Wieman  

ScienceCinema (OSTI)

Carl Wieman presents a talk at Frontiers in Laser Cooling, Single-Molecule Biophysics and Energy Science, a scientific symposium honoring Steve Chu, director of Lawrence Berkeley National Laboratory and recipient of the 1997 Nobel Prize in Physics. The symposium was held August 30, 2008 in Berkeley.

Wieman, Carl

2011-04-13T23:59:59.000Z

495

INFLUENCE OF CORIOLIS FORCE ON DNA MOLECULE MIGRATION AND HYBRIDIZATION IN COMPACT DISK (CD)  

E-Print Network [OSTI]

) MICROFLUIDICS PLATFORMS _______________ A Thesis Presented to the Faculty of San Diego State University in Compact Disk (CD) Microfluidics Platforms by Nithesh Paramesh Master of Science in Mechanical Engineering and hybridization of DNA molecules in CD microfluidics platform where centrifugal force is used as the driving force

Kassegne, Samuel Kinde

496

Hydrogen Molecules inside Fullerene C70: Quantum Dynamics, Energetics, Maximum Occupancy, And Comparison with C60  

E-Print Network [OSTI]

Hydrogen Molecules inside Fullerene C70: Quantum Dynamics, Energetics, Maximum Occupancy of Chemistry, New York UniVersity, New York, New York 10003, Department of Chemistry, Brown UniVersity, ProVidence, Rhode Island 02912, and Department of Chemistry, Columbia UniVersity, New York, New York 10027 Received

Turro, Nicholas J.

497

Modeling of structure H hydrate equilibria for methane, intermediate hydrocarbon molecules and water systems  

SciTech Connect (OSTI)

Clathrate hydrates are inclusion compounds in which guest molecules are engaged by water molecules under favorable conditions of pressure and temperature. The well known structures 1 and 2 have been discovered since last century, while a new structure called H has been recently described in the literature. Since that time, structure H hydrate equilibrium data involving methane and different intermediate liquid hydrocarbon molecules have been published. The equilibrium calculations involving hydrates are based on the fact that the chemical potential of water in the aqueous liquid phase is equal to the one in the hydrate phase. The chemical potential of water in the liquid aqueous phase can be easily described by classical thermodynamic relations, while the chemical potential of water in the hydrates phase is described by the expressions proposed by Van der Walls and Platteeuw derived from an adsorption model based on statistical thermodynamics. The authors present in this paper a set of Kihara potential parameters which enable the calculation of Langmuir constants which characterize the adsorption of some naphthenic and iso-paraffinic intermediate hydrocarbons in the larger cage of structure H hydrates. This work thus allows the computation of structural H hydrate equilibrium conditions for systems made of methane, intermediate hydrocarbon molecules and water.

Thomas, M.; Behar, E. [Inst. Francais du Petrole, Rueil-Malmaison (France)

1996-12-31T23:59:59.000Z

498

Common messenger molecules and cell types demonstrating neuroendocrine-immune interactions in the chicken  

E-Print Network [OSTI]

The aim of this study was to identify common messenger molecules used in both the immune and the neuroendocrine systems in birds, and to shed light on a cell type within the bursa of Fabricius that has historically been postulated as a potential...

Oubre, Cherie Morgan

2006-08-16T23:59:59.000Z

499

X-ray absorption spectroscopy of biomimetic dye molecules for solar cells Peter L. Cook,1  

E-Print Network [OSTI]

X-ray absorption spectroscopy of biomimetic dye molecules for solar cells Peter L. Cook,1 Xiaosong November 2009 Dye-sensitized solar cells are potentially inexpensive alternatives to traditional semiconductor solar cells. In order to optimize dyes for solar cells we systematically investigate

Himpsel, Franz J.

500

X-ray four-wave mixing in molecules Satoshi Tanaka  

E-Print Network [OSTI]

X-ray four-wave mixing in molecules Satoshi Tanaka Department of Chemistry, University of Rochester radiation intense light sources have opened up a new era in soft x-ray spectroscopy. The dramatic improvements of spectral resolution in x-ray absorption1,2 and x-ray photoemission spectra3 have revealed

Mukamel, Shaul