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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  

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

Imaging Antifungal Drug Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography Print Wednesday, 24 February 2010 00:00 Humankind has benefitted from a long and productive relationship with yeast. For example, fermentation by yeast is an essential step in the production of bread, beer, wine, and even biofuels. However, not all yeast are beneficial. One strain of yeast, Candida albicans, grows unnoticed on most peoples' skin and in the intestines. In response to certain environmental conditions, C. albicans can switch to a pathogenic phenotype that causes infection. Yeast infections are commonplace, and in otherwise healthy individuals are usually treatable with over-the-counter medications; however, individuals with weakened immune systems can have very serious systemic consequences from a yeast infection. Treating systemic yeast infections is becoming increasingly difficult due to the growing number of yeast strains that have developed resistance to existing antimicrobial drugs. Consequently, there is a pressing need to develop new types of drugs capable of circumventing yeast drug-resistance mechanisms. To this end Stanford, University of California, San Francisco and LBNL researchers have used soft x-ray tomography to image the 3-D structure of both benign and infectious C. albicans yeast. They then imaged this yeast when treated with peptoids, a class of molecules that mimic the peptides our immune system uses as the first line of defense against microbial attack. Unlike conventional antimicrobials, microbes have yet to develop resistance mechanisms against peptides or peptoids, making them appealing candidates for pharmaceutical development.

2

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

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

Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography Print Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography Print Humankind has benefitted from a long and productive relationship with yeast. For example, fermentation by yeast is an essential step in the production of bread, beer, wine, and even biofuels. However, not all yeast are beneficial. One strain of yeast, Candida albicans, grows unnoticed on most peoples' skin and in the intestines. In response to certain environmental conditions, C. albicans can switch to a pathogenic phenotype that causes infection. Yeast infections are commonplace, and in otherwise healthy individuals are usually treatable with over-the-counter medications; however, individuals with weakened immune systems can have very serious systemic consequences from a yeast infection. Treating systemic yeast infections is becoming increasingly difficult due to the growing number of yeast strains that have developed resistance to existing antimicrobial drugs. Consequently, there is a pressing need to develop new types of drugs capable of circumventing yeast drug-resistance mechanisms. To this end Stanford, University of California, San Francisco and LBNL researchers have used soft x-ray tomography to image the 3-D structure of both benign and infectious C. albicans yeast. They then imaged this yeast when treated with peptoids, a class of molecules that mimic the peptides our immune system uses as the first line of defense against microbial attack. Unlike conventional antimicrobials, microbes have yet to develop resistance mechanisms against peptides or peptoids, making them appealing candidates for pharmaceutical development.

3

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

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

Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography Print Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography Print Humankind has benefitted from a long and productive relationship with yeast. For example, fermentation by yeast is an essential step in the production of bread, beer, wine, and even biofuels. However, not all yeast are beneficial. One strain of yeast, Candida albicans, grows unnoticed on most peoples' skin and in the intestines. In response to certain environmental conditions, C. albicans can switch to a pathogenic phenotype that causes infection. Yeast infections are commonplace, and in otherwise healthy individuals are usually treatable with over-the-counter medications; however, individuals with weakened immune systems can have very serious systemic consequences from a yeast infection. Treating systemic yeast infections is becoming increasingly difficult due to the growing number of yeast strains that have developed resistance to existing antimicrobial drugs. Consequently, there is a pressing need to develop new types of drugs capable of circumventing yeast drug-resistance mechanisms. To this end Stanford, University of California, San Francisco and LBNL researchers have used soft x-ray tomography to image the 3-D structure of both benign and infectious C. albicans yeast. They then imaged this yeast when treated with peptoids, a class of molecules that mimic the peptides our immune system uses as the first line of defense against microbial attack. Unlike conventional antimicrobials, microbes have yet to develop resistance mechanisms against peptides or peptoids, making them appealing candidates for pharmaceutical development.

4

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

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

Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography Print Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography Print Humankind has benefitted from a long and productive relationship with yeast. For example, fermentation by yeast is an essential step in the production of bread, beer, wine, and even biofuels. However, not all yeast are beneficial. One strain of yeast, Candida albicans, grows unnoticed on most peoples' skin and in the intestines. In response to certain environmental conditions, C. albicans can switch to a pathogenic phenotype that causes infection. Yeast infections are commonplace, and in otherwise healthy individuals are usually treatable with over-the-counter medications; however, individuals with weakened immune systems can have very serious systemic consequences from a yeast infection. Treating systemic yeast infections is becoming increasingly difficult due to the growing number of yeast strains that have developed resistance to existing antimicrobial drugs. Consequently, there is a pressing need to develop new types of drugs capable of circumventing yeast drug-resistance mechanisms. To this end Stanford, University of California, San Francisco and LBNL researchers have used soft x-ray tomography to image the 3-D structure of both benign and infectious C. albicans yeast. They then imaged this yeast when treated with peptoids, a class of molecules that mimic the peptides our immune system uses as the first line of defense against microbial attack. Unlike conventional antimicrobials, microbes have yet to develop resistance mechanisms against peptides or peptoids, making them appealing candidates for pharmaceutical development.

5

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

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

Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography Print Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography Print Humankind has benefitted from a long and productive relationship with yeast. For example, fermentation by yeast is an essential step in the production of bread, beer, wine, and even biofuels. However, not all yeast are beneficial. One strain of yeast, Candida albicans, grows unnoticed on most peoples' skin and in the intestines. In response to certain environmental conditions, C. albicans can switch to a pathogenic phenotype that causes infection. Yeast infections are commonplace, and in otherwise healthy individuals are usually treatable with over-the-counter medications; however, individuals with weakened immune systems can have very serious systemic consequences from a yeast infection. Treating systemic yeast infections is becoming increasingly difficult due to the growing number of yeast strains that have developed resistance to existing antimicrobial drugs. Consequently, there is a pressing need to develop new types of drugs capable of circumventing yeast drug-resistance mechanisms. To this end Stanford, University of California, San Francisco and LBNL researchers have used soft x-ray tomography to image the 3-D structure of both benign and infectious C. albicans yeast. They then imaged this yeast when treated with peptoids, a class of molecules that mimic the peptides our immune system uses as the first line of defense against microbial attack. Unlike conventional antimicrobials, microbes have yet to develop resistance mechanisms against peptides or peptoids, making them appealing candidates for pharmaceutical development.

6

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

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

Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography Print Imaging Antifungal Drug Molecules in Action using Soft X-Ray Tomography Print Humankind has benefitted from a long and productive relationship with yeast. For example, fermentation by yeast is an essential step in the production of bread, beer, wine, and even biofuels. However, not all yeast are beneficial. One strain of yeast, Candida albicans, grows unnoticed on most peoples' skin and in the intestines. In response to certain environmental conditions, C. albicans can switch to a pathogenic phenotype that causes infection. Yeast infections are commonplace, and in otherwise healthy individuals are usually treatable with over-the-counter medications; however, individuals with weakened immune systems can have very serious systemic consequences from a yeast infection. Treating systemic yeast infections is becoming increasingly difficult due to the growing number of yeast strains that have developed resistance to existing antimicrobial drugs. Consequently, there is a pressing need to develop new types of drugs capable of circumventing yeast drug-resistance mechanisms. To this end Stanford, University of California, San Francisco and LBNL researchers have used soft x-ray tomography to image the 3-D structure of both benign and infectious C. albicans yeast. They then imaged this yeast when treated with peptoids, a class of molecules that mimic the peptides our immune system uses as the first line of defense against microbial attack. Unlike conventional antimicrobials, microbes have yet to develop resistance mechanisms against peptides or peptoids, making them appealing candidates for pharmaceutical development.

7

Screening of Antifungal Azole Drugs and Agrochemicals with an Adapted alamarBlue-Based Assay Demonstrates Antibacterial Activity of Croconazole against Mycobacterium ulcerans  

Science Journals Connector (OSTI)

...Screening of Antifungal Azole Drugs and Agrochemicals with an Adapted alamarBlue-Based...commonly available, but registered agrochemicals have also been broadly examined for...fungicides, commercialized as drugs or agrochemicals. These compounds are cytochrome P450...

Nicole Scherr; Katharina Röltgen; Matthias Witschel; Gerd Pluschke

2012-09-24T23:59:59.000Z

8

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

9

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

NLE Websites -- All DOE Office Websites (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...

10

Chemical Genomics-Based Antifungal Drug Discovery: Targeting Glycosylphosphatidylinositol (GPI) Precursor Biosynthesis  

Science Journals Connector (OSTI)

Utilizing a chemical genomics-based screening platform referred to as the Candida albicans fitness test (CaFT), we have identified novel inhibitors of Gwt1 and a second enzyme in the glycosylphosphatidylinositol (GPI) cell wall anchor pathway, Mcd4. ... The response of each heterozygote to the effects of the compound is then appraised by calculating a normalized Z score, with a positive value indicating hypersensitivity and a negative value reflecting resistance (or hyposensitivity) to the tested compound. ... MCD4 heterozygote hypersensitivity to M743 is directly demonstrated by serial dilution spot tests on drug-containing plates (Figure S2) and further corroborated by genetic knockdown of MCD4 expression using a conditional mutant under the control of a tetracycline-regulatable promoter (Figure S4). ...

Paul A. Mann; Catherine A. McLellan; Sandra Koseoglu; Qian Si; Elena Kuzmin; Amy Flattery; Guy Harris; Xinwei Sher; Nicholas Murgolo; Hao Wang; Kristine Devito; Nuria de Pedro; Olga Genilloud; Jennifer Nielsen Kahn; Bo Jiang; Michael Costanzo; Charlie Boone; Charles G. Garlisi; Susan Lindquist; Terry Roemer

2014-12-05T23:59:59.000Z

11

Multidrug-Resistant Transporter Mdr1p-Mediated Uptake of a Novel Antifungal Compound  

Science Journals Connector (OSTI)

...Unfortunately, the antifungal pipeline has slowed down considerably...supplemental material) in the wax moth Galleria mellonella infection...exacerbated by the shrinking pipeline of antimicrobial agents. Extensive...insight into the antifungal pipeline: selected new molecules and...

Nuo Sun; Dongmei Li; William Fonzi; Xin Li; Lixin Zhang; Richard Calderone

2013-09-16T23:59:59.000Z

12

Utilization of I-domain of LFA-1 to Target Drug and Marker Molecules to Leukocytes  

E-Print Network (OSTI)

Theranostics 2011, 1 http://www.thno.org 277 Theranostics 2011; 1:277-289 Research Paper Utilization of I-domain of LFA-1 to Target Drug and Marker Molecules to Leukocytes Prakash Manikwar1, Bimo A. Tejo1,2, Heather Shinogle3, David S... via a unique pathway Theranostics 2011, 1 http://www.thno.org 278 referred to as CAM-mediated endocytosis [10-13]. Ligands that bind to CAM can be used to selectively target drugs for intracellular delivery to immune cells expressing...

Manikwar, Prakash; Tejo, Bimo A.; Shinogle, Heather; Moore, David S.; Zimmerman, Tahl; Blanco, Francisco; Siahaan, Teruna J.

2010-05-10T23:59:59.000Z

13

Applications of single molecule and nanoparticle imaging in chemical separation, photocatalysis, and drug delivery.  

E-Print Network (OSTI)

??This dissertation includes five chapters. Chapter 1 introduces single molecule and nanoparticle imaging techniques and their applications. Chapter 2 is a study of electrophoretic migration… (more)

Han, Rui

2014-01-01T23:59:59.000Z

14

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.

15

Enhancing pharmaceutical formulations to improve efficacy and delivery of drug molecules  

E-Print Network (OSTI)

Major impediments to the full utility of current and potential drugs include issues of resistance and delivery. To address these challenges, in this thesis two directions of research were pursued: (1) the use of multivalent ...

Weight, Alisha K. (Alisha Kessel)

2013-01-01T23:59:59.000Z

16

Modeling Drug Molecule Solubility to Identify Optimal Solvent Systems for Crystallization  

Science Journals Connector (OSTI)

The solubility of a solid organic solute can be approximated by the van?t Hoff equation: (1, 2) where x I SAT is the mole fraction of solute I dissolved in the solvent phase at saturation, ? H fus is the enthalpy of fusion of the solute, R is the ideal gas constant, T is the temperature (K), T m is the melting point of the solute, and ? I SAT is the activity coefficient of the solute in solution at saturation. ... Ionic solids such as sodium chloride do actually melt reversibly, but the individual ions formed are atoms and not molecules; thus, ionic bonds between the ions are broken at lower temperatures than those required to break individual atoms (temperatures sufficient to initiate thermonuclear reactions). ...

Prashant B. Kokitkar; Ed Plocharczyk; Chau-Chyun Chen

2008-03-04T23:59:59.000Z

17

Antigen-specific blocking of immunological synapse formation using bifunctional peptide, Utilization of I-domain of LFA-1 to Target Drug and Marker Molecules to Leukocytes  

E-Print Network (OSTI)

Theranostics 2011, 1 http://www.thno.org 277 Theranostics 2011; 1:277-289 Research Paper Utilization of I-domain of LFA-1 to Target Drug and Marker Molecules to Leukocytes Prakash Manikwar1, Bimo A. Tejo1,2, Heather Shinogle3, David S... via a unique pathway Theranostics 2011, 1 http://www.thno.org 278 referred to as CAM-mediated endocytosis [10-13]. Ligands that bind to CAM can be used to selectively target drugs for intracellular delivery to immune cells expressing...

Manikwar, Prakash; Tejo, Bimo A.; Shinogle, Heather; Moore, David S.; Zimmerman, Tahl; Blanco, Francisco; Siahaan, Teruna J.

2011-05-01T23:59:59.000Z

18

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.

19

Endocytosis-Mediated Vacuolar Accumulation of the Human ApoE Apolipoprotein-Derived ApoEdpL-W Antimicrobial Peptide Contributes to Its Antifungal Activity in Candida albicans  

Science Journals Connector (OSTI)

...of genes related to DNA replication and repair. Finally, the exposure of C. albicans...profiles of Candida albicans cortical actin patch mutants reflect their cellular defects...2010. An insight into the antifungal pipeline: selected new molecules and beyond...

Tristan Rossignol; Bridie Kelly; Curtis Dobson; Christophe d'Enfert

2011-08-01T23:59:59.000Z

20

Marketing Mother Nature’s Molecules  

Science Journals Connector (OSTI)

Marketing Mother Nature’s Molecules ... Yet molecules made by Mother Nature, or derivatives thereof, still account for nearly half of the drugs on the market. ...

LISA JARVIS

2012-02-19T23:59:59.000Z

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.


21

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

22

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

NLE Websites -- All DOE Office Websites (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...

23

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

NLE Websites -- All DOE Office Websites (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...

24

Molecule nanoweaver  

DOE Patents (OSTI)

A method, apparatus, and system for constructing uniform macroscopic films with tailored geometric assemblies of molecules on the nanometer scale. The method, apparatus, and system include providing starting molecules of selected character, applying one or more force fields to the molecules to cause them to order and condense with NMR spectra and images being used to monitor progress in creating the desired geometrical assembly and functionality of molecules that comprise the films.

Gerald, II; Rex E. (Brookfield, IL); Klingler, Robert J. (Glenview, IL); Rathke, Jerome W. (Homer Glen, IL); Diaz, Rocio (Chicago, IL); Vukovic, Lela (Westchester, IL)

2009-03-10T23:59:59.000Z

25

Drug metabolizing enzymes activities versus genetic variances for drug of clinical pharmacogenomic relevance  

E-Print Network (OSTI)

as: Wu: Drug metabolizing enzyme activities versus geneticRoles for Old Molecules: Enzymes in Personalized Medicine,Access Drug metabolizing enzyme activities versus genetic

Wu, Alan HB

2011-01-01T23:59:59.000Z

26

Cost Estimates for New Molecules  

Science Journals Connector (OSTI)

Cost Estimates for New Molecules ... Once this has been carried out, the projected cost/kilogram for the new drug substance (if only raw material costs and no manufacturing/overhead/labour costs are considered) may well come down by a factor of 10 or even 100, and this is often more acceptable to management trying to make strategic decisions about potential profitability. ...

Trevor Laird

2005-02-22T23:59:59.000Z

27

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

28

Single molecule spectroscopy of tetrahedral oligophenylenevinylene molecules  

E-Print Network (OSTI)

Single molecule spectroscopy of tetrahedral oligophenylenevinylene molecules Melissa A. Summers form 17 July 2002 Abstract We probe the fluorescence from single molecules of a new class molecules and compare these signals with the fluorescence from single arm molecules. Our results show

Buratto, Steve

29

Determination of the three-dimensional solution structure of Raphanus sativus Antifungal Protein 1 by 1H NMR  

Science Journals Connector (OSTI)

Raphanus sativus Antifungal Protein 1 (Rs-AFP1) is a 51 amino acid residue plant defensin isolated from radish (Raphanus sativusL.) seeds. The three-dimensional structure in aqueous solution has been determined from two-dimensional 1H NMR data recorded at 500 \\{MHz\\} using the DIANA/REDAC calculation protocols. Experimental constraints consisted of 787 interproton distances extracted from NOE cross-peaks, 89 torsional constraints from 106 vicinal interproton coupling constants and 32 stereospecific assignments of prochiral protons. Further refinement by simulated annealing resulted in a set of 20 structures having pairwise root-mean-square differences of 1.35(±0.35) Å over the backbone heavy atoms and 2.11(±0.46) Å over all heavy atoms. The molecule adopts a compact globular fold comprising an ?-helix from Asn18 till Leu28 and a triple-stranded ?-sheet (?1=Lys2-Arg6, ?2=His33-Tyr38 and ?3=His43-Pro50). The central strand of this ?-sheet is connected by two disulfide bridges (Cys21–Cys45 and Cys25–Cys47) to the ?-helix. The connection between ?-strand 2 and 3 is formed by a type \\{VIa\\} ?-turn. Even the loop (Pro7 to Asn17) between ?-strand 1 and the ?-helix is relatively well defined. The structure of Raphanus sativus Antifungal Protein 1 features all the characteristics of the “cysteine stabilized ?? motif”. A comparison of the complete structure and of the regions important for interaction with the fungal receptor according to a mutational study, is made with the structure of ?-thionin, a plant defensin that has no antifungal activity. It is concluded that this interaction is both electrostatic and specific, and some possible scenarios for the mode of action are given.

Franky Fant; Wim Vranken; Willem Broekaert; Frans Borremans

1998-01-01T23:59:59.000Z

30

E-Print Network 3.0 - antibiotics antifungal Sample Search Results  

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

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

31

E-Print Network 3.0 - antifungal pharmacophore sites Sample Search...  

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

antifungal pharmacophore sites Page: << < 1 2 3 4 5 > >> 1 Pharmacophore modeling and 3D-QSAR of novel chalcone derivatives as Plasmodium falciparum growth inhibitors Summary:...

32

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

NLE Websites -- All DOE Office Websites (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...

33

Prescription Drugs  

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

Prescription Drugs Prescription Drugs Prescription Drugs Prescription drug benefits are determined by your medical plan. Contact Prime Therapeutics Prescription drug coverage for retirees Your Blue Cross and Blue Shield of New Mexico (BCBSNM) health plan includes a prescription drug benefit administered by Prime Therapeutics. The cost of the prescription drug plan is included in your medical premiums. Coverage The co-pays for prescription drugs are based on a 3-tier prescription drug benefit. Co-payments are different for formulary or non-formulary, generic, or brand/preferred name. Review the BCBSNM Drug List (pdf) to find out which tier a specific drug falls under. Co-pays Prescription drug co-pays vary from plan to plan. 2013 EPO Summary of Benefits (pdf) 2013 PPO Summary of Benefits (pdf)

34

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

NLE Websites -- All DOE Office Websites (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...

35

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

NLE Websites -- All DOE Office Websites (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...

36

Single-Molecule Detection  

Science Journals Connector (OSTI)

Detection of single molecules represents the ultimate level of sensitivity and ... background, fluorescence is one obvious choice for single-molecule detection (SMD). However, SMD using ... first report on SMD us...

2006-01-01T23:59:59.000Z

37

Cool Magnetic Molecules  

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

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

38

Protein-Based Nanomedicine Platforms for Drug Delivery  

SciTech Connect

Drug delivery systems have been developed for many years, however some limitations still hurdle the pace of going to clinical phase, for example, poor biodistribution, drug molecule cytotoxicity, tissue damage, quick clearance from the circulation system, solubility and stability of drug molecules. To overcome the limitations of drug delivery, biomaterials have to be developed and applied to drug delivery to protect the drug molecules and to enhance the drug’s efficacy. Protein-based nanomedicine platforms for drug delivery are platforms comprised of naturally self-assembled protein subunits of the same protein or a combination of proteins making up a complete system. They are ideal for drug delivery platforms due to their biocompatibility and biodegradability coupled with low toxicity. A variety of proteins have been used and characterized for drug delivery systems including the ferritin/apoferritin protein cage, plant derived viral capsids, the small Heat shock protein (sHsp) cage, albumin, soy and whey protein, collagen, and gelatin. There are many different types and shapes that have been prepared to deliver drug molecules using protein-based platforms including the various protein cages, microspheres, nanoparticles, hydrogels, films, minirods and minipellets. There are over 30 therapeutic compounds that have been investigated with protein-based drug delivery platforms for the potential treatment of various cancers, infectious diseases, chronic diseases, autoimmune diseases. In protein-based drug delivery platforms, protein cage is the most newly developed biomaterials for drug delivery and therapeutic applications. Their uniform sizes, multifunctions, and biodegradability push them to the frontier for drug delivery. In this review, the recent strategic development of drug delivery has been discussed with a special emphasis upon the polymer based, especially protein-based nanomedicine platforms for drug delivery. The advantages and disadvantages are also discussed for each type of protein based drug delivery system.

Ma Ham, Aihui; Tang, Zhiwen; Wu, Hong; Wang, Jun; Lin, Yuehe

2009-08-03T23:59:59.000Z

39

Single-Molecule Spectroscopy  

Science Journals Connector (OSTI)

We are used to conceptualizing chemical reactions and biochemical processes in terms of individual molecules. We do so on various levels of... molecular dynamics simulations ...

Benjamin Schuler

2013-01-01T23:59:59.000Z

40

Molecules Frozen Stiff | EMSL  

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

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...

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

Cool Magnetic Molecules  

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

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

42

Cool Magnetic Molecules  

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

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

43

Cool Magnetic Molecules  

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

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

44

Cool Magnetic Molecules  

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

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

45

Cool Magnetic Molecules  

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

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

46

Antiretroviral drugs  

Science Journals Connector (OSTI)

In October 2010, it will be exactly 25 years ago that the first antiretroviral drug, AZT (zidovudine, 3?-azido-2?,3?-dideoxythymidine), was described. It was the first of 25 antiretroviral drugs that in the past 25 years have been formally licensed for clinical use. These antiretroviral drugs fall into seven categories [nucleoside reverse transcriptase inhibitors (NRTIs), nucleotide reverse transcriptase inhibitors (NtRTIs), non-nucleoside reverse transcriptase inhibitors (NNRTIs), protease inhibitors (PIs), fusion inhibitors (FIs), co-receptor inhibitors (CRIs) and integrase inhibitors (INIs). The \\{INIs\\} (i.e. raltegravir) represent the most recent advance in the search for effective and selective anti-HIV agents. Combination of several anti-HIV drugs [often referred to as highly active antiretroviral therapy (HAART)] has drastically altered AIDS from an almost uniformly fatal disease to a chronic manageable one.

Erik De Clercq

2010-01-01T23:59:59.000Z

47

Grafting Functional Molecules  

Science Journals Connector (OSTI)

Adding via batch processing assigned molecules to sublithographic features. Needless to say, strategy XB_ requires the ability to attach organic moieties to the silicon surface, thus forming a hybrid interface wi...

Dr. Gianfranco Cerofolini

2009-01-01T23:59:59.000Z

48

Single-Molecule Chemistry  

Science Journals Connector (OSTI)

With the currently available optical facilities, it is now possible to observe the dynamic behavior of single biomolecules and to study their kinetics. Within a group of molecules (e.g., in an enzyme), ... static...

2008-01-01T23:59:59.000Z

49

Molecules, ices and astronomy  

Science Journals Connector (OSTI)

......research-article Features Molecules, ices and astronomy David A Williams, Wendy A Brown, Stephen...brown@ucl.ac.uk Dept of Physics and Astronomy, University College London, Gower Street...of Chemistry, UCL Dept of Physics and Astronomy, UCL Over the past 40 years, about......

D A Williams; W A Brown; S D Price; J M C Rawlings; S Viti

2007-02-01T23:59:59.000Z

50

Single molecule profiling of tau gene expression in Alzheimer's Chris Conrad,*,1  

E-Print Network (OSTI)

Single molecule profiling of tau gene expression in Alzheimer's disease Chris Conrad,*,1 Jun Zhu and AD. Here, we applied a single-molecule-based technology, polymerase colony or polony is an emerging area of drug development, and a well-defined and quantitative assay for monitoring single

Church, George M.

51

Ultra-cold molecule production.  

SciTech Connect

The production of Ultra-cold molecules is a goal of many laboratories through out the world. Here we are pursuing a unique technique that utilizes the kinematics of atomic and molecular collisions to achieve the goal of producing substantial numbers of sub Kelvin molecules confined in a trap. Here a trap is defined as an apparatus that spatially localizes, in a known location in the laboratory, a sample of molecules whose temperature is below one degree absolute Kelvin. Further, the storage time for the molecules must be sufficient to measure and possibly further cool the molecules. We utilize a technique unique to Sandia to form cold molecules from near mass degenerate collisions between atoms and molecules. This report describes the progress we have made using this novel technique and the further progress towards trapping molecules we have cooled.

Ramirez-Serrano, Jamie; Chandler, David W.; Strecker, Kevin; Rahn, Larry A.

2005-12-01T23:59:59.000Z

52

Single molecule fluorescence (the basics)  

E-Print Network (OSTI)

Single molecule fluorescence (the basics) #12;light time light time No averaging, no need;knrkr S0 S1 Iph . . Iexc #12;Single molecule emitters #12;K. Brejc et.al., PNAS 94 (1997) 2306 1 nm glass, notch holographic, multidielectric,... #12;Optical schemes to detect single molecules Excitation

Ritort, Felix

53

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

54

Single-Molecule Studies of Gene Expression  

E-Print Network (OSTI)

material for the single-molecule transcription experimentsGeometry for the single-molecule assay of bare DNAgeometry for the single-molecule translation assay .

Hodges, Hamilton Courtney

2009-01-01T23:59:59.000Z

55

Fluorescence, Single-Molecule Microscope | EMSL  

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

Single-Molecule Microscope Fluorescence, Single-Molecule Microscope The single-molecule optical microscope is designed to study complex reaction dynamics such as enzymatic...

56

Nanometer Resolution Imaging by SIngle Molecule Switching. |...  

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

Nanometer Resolution Imaging by SIngle Molecule Switching. Nanometer Resolution Imaging by SIngle Molecule Switching. Abstract: The fluorescence intensity of single molecules can...

57

High Throughput Single Molecule Investigation of Transcription  

E-Print Network (OSTI)

genomic DNA based on single-molecule detection. Analyticalmapping: a novel, single- molecule approach to genomic2011). High-throughput single-molecule optofluidic analysis.

Kim, Soohong

2012-01-01T23:59:59.000Z

58

Single molecule laser spectroscopy  

Science Journals Connector (OSTI)

Abstract In this article, we discussed some single molecule spectroscopy techniques and methods. We have chosen the simplicity in this survey based on our laboratory experience in this field. We concentrated on the imaging by both techniques the wide field and the scanning microscopes. Other imaging enhancements on the technique like extended resolution wide field, the total internal reflection imaging, and its derivatives are also reviewed. In addition to the imaging techniques, some diffusion techniques also are discussed like fluorescence correlation spectroscopy. The related methods like Forester resonance transfer, photo-induced electron transfer and anisotropy (steady state and time decay) are also discussed. In addition, we elucidated some simple details about the theory behind the FCS and its resulting curve fitting. This review is preceded by general introduction and ended with the conclusion.

Diaa Atta; Ali Okasha

2015-01-01T23:59:59.000Z

59

Commercialization and Late-Stage Development of a Semisynthetic Antifungal API: Anidulafungin/d-Fructose (Eraxis)  

Science Journals Connector (OSTI)

Commercialization and Late-Stage Development of a Semisynthetic Antifungal API: Anidulafungin/d-Fructose (Eraxis) ... In first-generation processes, the reaction medium was initially quenched into acetonitrile to precipitate crude 1. ... Clarification, however, is necessary for this API to render it speck-free from extraneous particulate matter, but armed with the above information the initial dissolution process operation was carried out at the lower end of the allowable process range to facilitate minimal formation of 9 during processing as a practical compromise. ...

Timothy Norris; John VanAlsten; Stephen Hubbs; Marcus Ewing; Weiling Cai; Matthew L. Jorgensen; Jon Bordner; Grace O. Jensen

2008-04-29T23:59:59.000Z

60

Single-molecule Fluorescence Spectroelectrochemistry of Cresyl...  

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

molecule Fluorescence Spectroelectrochemistry of Cresyl Violet. Single-molecule Fluorescence Spectroelectrochemistry of Cresyl Violet. Abstract: We coupled scanning fluorescence...

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

Nanochannel based single molecule recycling.  

E-Print Network (OSTI)

??Single molecule fluorescence measurements provide detailed information about sub-populations, transition intermediates and kinetic data for systems that are not able to be synchronized by removing… (more)

Lesoine, John Frederick (1980 - )

2010-01-01T23:59:59.000Z

62

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

63

Japan Retools Drug Research  

Science Journals Connector (OSTI)

Japan Retools Drug Research ... Like Takeda’s stock price, Japan’s drug R&D engine—flagging in recent years—appears to be recovering. ...

JEAN-FRANÇOIS TREMBLAY

2013-08-05T23:59:59.000Z

64

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

65

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

66

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

67

Biogenic silver nanoparticles synthesised from Zingiber officinale and its antifungal properties  

Science Journals Connector (OSTI)

A silver particle at the nanoscale level behaves as an effective antimicrobial agent and offers numerous applications in biosensing and medicine. The current study unveils the effect of rhizome of Zingiber officinale and its silver nanoparticles against the growth and hydrolytic enzyme of two lethal moulds, Alternaria alternata and Curvularia lunata. The rhizome of Zingiber officinale was extracted under aseptic conditions to get cold distilled water and silver nanoparticle extracts in order to check the effect on inhibition of cell mass formation and protease activity of Curvularia lunata and Alternaria alternata. The formation of silver nanoparticles was confirmed by UV-Vis absorption spectroscopy and scanning electron microscopy. The obtained results showed that the highest tested concentration (2%) of Zingiber officinale in cold distilled water and silver nanoparticle extracts strongly inhibited the cell mass formation as well as protease activity in test organisms. The silver nanoparticle extract showed potent antifungal activity when compared to cold distilled water extract. The study unravels the antifungal property of Zingiber officinale and its biogenically synthesised silver nanoparticles that can be exploited further for therapeutical and other industrial applications.

Malini Soundararajan; Neha Deora; Lynette Lincoln; Purandhi Roopmani; Shikha Gupta; Rajatha Shambu

2014-01-01T23:59:59.000Z

68

Electronic States of Ethylene Molecule  

Science Journals Connector (OSTI)

......research-article Articles Electronic States of Ethylene Molecule Tomokazu Murai Department of...Kyoto University Electronic states of ethylene molecules are discussed according to the...Rev. (1930) 36. 51[APS] . 7) Price W. C. , Tutte W. T. Proc. R. Soc......

Tomokazu Murai

1952-04-01T23:59:59.000Z

69

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

70

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

71

Hydrogen Storage by Polylithiated Molecules and Nanostructures  

Science Journals Connector (OSTI)

Hydrogen Storage by Polylithiated Molecules and Nanostructures ... (3) Physisorption offers the possibility of storing hydrogen in molecular form. ... Also given in Table 1 are the hydrogen binding energies, which are calculated by subtracting the total energy of the hydrogenated polylithiated molecules from the sum of the total energies of the isolated polylithiated molecules and the hydrogen molecules, divided by the number of hydrogen molecules. ...

Süleyman Er; Gilles A. de Wijs; Geert Brocks

2009-04-29T23:59:59.000Z

72

Cooling molecules in optical cavities  

SciTech Connect

We have studied theoretically and numerically the cooling of CN molecules in a high-finesse optical cavity and show that these molecules can be cooled from 100 mK temperatures to submillikelvin temperatures in less than 1 ms. We establish that the cooling time does not change significantly with molecular numbers and initial temperatures over a wide range. We have further studied the scaling of the system for extending the current results for hundreds of molecules to a very large molecular ensemble. The results indicate that a gas of 10{sup 9} molecules can be cooled in the cavity by use of a far-off-resonant and high-intensity pump source.

Lu Weiping; Zhao Yongkai; Barker, P. F. [Physics, School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom); Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom)

2007-07-15T23:59:59.000Z

73

CNS Drug Design: Balancing Physicochemical Properties for Optimal Brain Exposure  

Science Journals Connector (OSTI)

CNS Drug Design: Balancing Physicochemical Properties for Optimal Brain Exposure ... The human brain is a uniquely complex organ, which has evolved a sophisticated protection system to prevent injury from external insults and toxins. ... Designing molecules that can overcome this protection system and achieve optimal concentration at the desired therapeutic target in the brain is a specific and major challenge for medicinal chemists working in CNS drug discovery. ...

Zoran Rankovic

2014-12-11T23:59:59.000Z

74

Single molecule measurements and molecular motors  

Science Journals Connector (OSTI)

...Hideyuki Okano and Atsushi Iriki Single molecule measurements and molecular motors...Suita, Osaka 565-0871, Japan Single molecule imaging and manipulation are...machines like molecular motors. The single molecule measurements allow a dynamic...

2008-01-01T23:59:59.000Z

75

Liposomes in Drug Targeting  

Science Journals Connector (OSTI)

Transport of drugs to target tissues, cells or subcellular organelles by the use of carrier systems is now a recognized useful method of improving drug selectivity. The types of carrier that have been proposed...

G. Gregoriadis

1980-01-01T23:59:59.000Z

76

Synthetic investigation of small-molecule probes.  

E-Print Network (OSTI)

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

Bromba, Caleb

2012-01-01T23:59:59.000Z

77

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

78

Single-Molecule Fluorescence Analysis in Solution  

Science Journals Connector (OSTI)

Over the past five years, several groups have developed the capability to detect and identify single fluorescent molecules in solution as the molecules flow through a focused laser...

Keller, Richard A; Ambrose, W Patrick; Goodwin, Peter M; Jett, James H; Martin, John C; Wu, Ming

1996-01-01T23:59:59.000Z

79

Molecular Self-Assembly of Jointed Molecules on a Metallic Substrate: From Single Molecule to Monolayer**  

E-Print Network (OSTI)

Molecular Self-Assembly of Jointed Molecules on a Metallic Substrate: From Single Molecule molecules adsorbed on metallic substrates. In this situation, self-assembled structures can be understood in relative simple terms considering molecule-molecule versus molecule-substrate interactions. In contrast

Paris-Sud XI, Université de

80

Drug Conjugates Lure Investment  

Science Journals Connector (OSTI)

Drug Conjugates Lure Investment ... Only two antibody-drug conjugates are on the market— Roche’s Kadcyla for breast cancer and Seattle Genetics’s Adcetris for lymphoma—but developers are stepping up investment in this new drug class. ... The new plant is part of a larger investment by the company in biologics manufacturing (see page 17). ...

ANN THAYER

2013-10-21T23:59:59.000Z

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

Injectable in Situ Cross-Linking Hydrogels for Local Antifungal Therapy  

E-Print Network (OSTI)

Invasive fungal infections can be devastating, particularly in immunocompromised patients, and difficult to treat with systemic drugs. Furthermore, systemic administration of those medications can have severe side effects. ...

Kohane, Daniel S.

82

Vibrational relaxation of trapped molecules  

Science Journals Connector (OSTI)

Vibrational relaxation of trapped molecules due to collisions with cold atoms is investigated using the results of quantum-mechanical scattering calculations. Trap loss is analyzed using an exactly solvable kinetic model that includes direct collisional quenching and an indirect process of vibrational predissociation. At low atom density, the relaxation is due primarily to collisional quenching. At high atom density, the relaxation involves additional time scales due to the formation and decay of van der Waals complexes. It is shown that the most weakly bound state of the van der Waals complex for a given diatomic vibrational level controls the relaxation at all atom densities. Possible experiments using trapped molecules are discussed.

R. C. Forrey; V. Kharchenko; N. Balakrishnan; A. Dalgarno

1999-03-01T23:59:59.000Z

83

Evaluation of antibacterial, antifungal and cytotoxic effects of Holothuria scabra from the North Coast of the Persian Gulf  

Science Journals Connector (OSTI)

Summary Bioactive compounds of the gonad, respiration tree, and body wall of the sea cucumber Holothuria scabra collected from the North Coast of the Persian Gulf were extracted using ethyl acetate, methanol and water–methanol mixtures. Extracts were evaluated for their antibacterial and antifungal activities against Aspergillus niger, Candida albicans, Staphylococcus aureus, Pseudomonas aeruginosa and Escherichia coli. The activity was determined using the disc diffusion test. Cytotoxic activities of the extracts were determined by brine shrimp lethality assay. Results showed the existence of an antifungal activity of all extracts against A. niger with MIC ranging from 3 to 9 ?g/mL. The highest antifungal activity was found in respiration tree (methanol) with an inhibition zone of about 50 mm against A. niger at 18 ?g/mL extract concentration. Cytotoxic activity was obtained for methanolic extracts only. Methanol extract of the gonads showed the highest cytotoxic effect (LC50 = 50.5 ?g/mL) continuing with RT methanol extract (LC50 = 70 ?g/mL).

F. Mohammadizadeh; M. Ehsanpor; M. Afkhami; A. Mokhlesi; A. Khazaali; S. Montazeri

2013-01-01T23:59:59.000Z

84

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

85

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.

86

Small-Molecule Inhibition of TNF-alpha  

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

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

87

Single molecule microscopy in 3D cell cultures and tissues  

Science Journals Connector (OSTI)

Abstract From the onset of the first microscopic visualization of single fluorescent molecules in living cells at the beginning of this century, to the present, almost routine application of single molecule microscopy, the method has well-proven its ability to contribute unmatched detailed insight into the heterogeneous and dynamic molecular world life is composed of. Except for investigations on bacteria and yeast, almost the entire story of success is based on studies on adherent mammalian 2D cell cultures. However, despite this continuous progress, the technique was not able to keep pace with the move of the cell biology community to adapt 3D cell culture models for basic research, regenerative medicine, or drug development and screening. In this review, we will summarize the progress, which only recently allowed for the application of single molecule microscopy to 3D cell systems and give an overview of the technical advances that led to it. While initially posing a challenge, we finally conclude that relevant 3D cell models will become an integral part of the on-going success of single molecule microscopy.

Florian M. Lauer; Elke Kaemmerer; Tobias Meckel

2014-01-01T23:59:59.000Z

88

Multiple events on single molecules: Unbiased estimation in single-molecule biophysics  

E-Print Network (OSTI)

Multiple events on single molecules: Unbiased estimation in single-molecule biophysics Daniel A, Princeton, NJ, December 6, 2005 (received for review June 24, 2005) Most analyses of single-molecule of a motor protein acting on a single molecule must not exceed the total molecule length. We have developed

Dekker, Nynke

89

Image Analysis of Defocused Single-Molecule Images for Three-Dimensional Molecule Orientation Studies  

E-Print Network (OSTI)

Image Analysis of Defocused Single-Molecule Images for Three-Dimensional Molecule Orientation applied to determine three- dimensional molecule orientations in defocused single-molecule images. The developed algorithm exploits the excellent agreement between electrodynamic calculations of single-molecule

Enderlein, Jörg

90

Single Molecule Analysis Research Tool (SMART): An Integrated Approach for Analyzing Single Molecule Data  

E-Print Network (OSTI)

Single Molecule Analysis Research Tool (SMART): An Integrated Approach for Analyzing Single, Stanford University, Stanford, California, United States of America Abstract Single molecule studies have approach for analyzing these data in the freely available software package SMART: Single Molecule Analysis

Herschlag, Dan

91

Single molecule level absorption spectroscopy in solution  

Science Journals Connector (OSTI)

Until today the detection and identification of molecules in extremely low concentration or quantity is ... In particular this is the case if the molecules must be detected among of a multitude ... Today, devices...

R. Bornemann; E. Thiel

1999-01-01T23:59:59.000Z

92

Single-Molecule Imaging in Live Cells  

Science Journals Connector (OSTI)

This chapter provides a comprehensive overview of how single-molecule imaging is achieved in live cells. The ... with a particular focus on how they influence single-molecule imaging in live cells. A few fluoresc...

Jie Xiao

2009-01-01T23:59:59.000Z

93

Imaging Oxygen Molecules Up Close | EMSL  

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

Imaging Oxygen Molecules Up Close Imaging Oxygen Molecules Up Close ARRA-enabled upgrades enhance research capabilities STM images of the same TiO2(110) area upon O2 chemisorption...

94

Illicit drugs in the environment  

Science Journals Connector (OSTI)

...Nick Voulvoulis Illicit drugs in the environment Ettore Zuccato Sara Castiglioni...but risks for human health and the environment cannot be excluded. Morphine, cocaine...time. illicit drugs|drugs of abuse|environment|sewage treatment plant|wastewater...

2009-01-01T23:59:59.000Z

95

Neutron crystallography aids drug design  

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

Neutron crystallography aids drug design Neutron crystallography aids drug design Researchers have used neutron crystallography for the first time to determine the structure of a...

96

Nanometer Resolution Imaging by SIngle Molecule Switching  

SciTech Connect

The fluorescence intensity of single molecules can change dramatically even under constant laser excitation. The phenomenon is frequently called "blinking" and involves molecules switching between high and low intensity states.[1-3] In additional to spontaneous blinking, the fluorescence of some special fluorophores, such as cyanine dyes and photoactivatable fluorescent proteins, can be switched on and off by choice using a second laser. Recent single-molecule spectroscopy investigations have shed light on mechanisms of single molecule blinking and photoswitching. This ability to controllably switch single molecules led to the invention of a novel fluorescence microscopy with nanometer spatial resolution well beyond the diffraction limit.

Hu, Dehong; Orr, Galya

2010-04-02T23:59:59.000Z

97

Three-Pulse Photon Echo of Finite Numbers of Molecules: Single-Molecule Traces  

E-Print Network (OSTI)

Three-Pulse Photon Echo of Finite Numbers of Molecules: Single- Molecule Traces Hui Dong and Graham, 6227]. To avoid this drawback of ensemble measurements and evaluate single-molecule behavior, a quantum the fluctuations inherent to single molecules. The current method takes advantage of the coherent state

Fleming, Graham R.

98

drug safety monitoring (DSM)  

Science Journals Connector (OSTI)

Active surveillance for drug safety (in contrast to spontaneous report system); active surveillance systems usually have higher response rates than “passive” systems such as the yellow card programme; ? see also

Dr. med. Dr. phil. Gerhard Nahler

2009-01-01T23:59:59.000Z

99

Single-Molecule Flourescence/Patch Clamp Microscope | EMSL  

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

Single-Molecule FlourescencePatch Clamp Microscope Single-Molecule FlourescencePatch Clamp Microscope At EMSL, researchers use the single-molecule fluorescencepatch clamp...

100

Monitoring Single Molecule Reactivity On a Carbon Nanotube  

E-Print Network (OSTI)

LETTERS Monitoring Single-Molecule Reactivity on a Carbondevice directly transduces single-molecule attachments andoptical methods in single-molecule research. Compared to

Collins, Philip G

2008-01-01T23:59:59.000Z

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.


101

Single Molecule Spectroscopy for Studying Conformational Dynamics of Short Oligonucleotides  

E-Print Network (OSTI)

to the activity of a single molecule. Over the past twentyallow researchers to use single molecule approaches to forLaser Excitation of Single Molecules. Accounts of Chemical

Lin, Ron Reuven

2012-01-01T23:59:59.000Z

102

Scaffolding Carbon Nanotubes into Single-Molecule Circuitry  

E-Print Network (OSTI)

Three-terminal, single molecule circuits based on carbonHowever, reliable single- molecule devices remainnew architecture for studying single- molecule behavior that

Collins, Philip G

2007-01-01T23:59:59.000Z

103

Scaffolding Carbon Nanotubes into Single-Molecule Circuitry  

E-Print Network (OSTI)

Carbon Nanotubes into Single-Molecule Circuitry Brett R.to a single binding site, single molecule precision can beto directly transduce single-molecule interactions such as

Collins, Philip G

2007-01-01T23:59:59.000Z

104

Single molecule studies of DNA packaging by bacteriophages  

E-Print Network (OSTI)

for the study of single molecule protein- DNA interactions.Physics Studies in Single Molecule Biophysics ProfessorOF THE DISSERTATION Single Molecule Studies of DNA Packaging

Fuller, Derek Nathan

2008-01-01T23:59:59.000Z

105

Methods for parallel amplification of single DNA molecules  

E-Print Network (OSTI)

2006) BEAMing: single? molecule PCR on microparticles in Mutation  detection and single?molecule counting using Amplification of DNA Single Molecules by Linear Rolling 

McElfish, Erin Marie

2009-01-01T23:59:59.000Z

106

Intermittent Single-Molecule Interfacial Electron Transfer Dynamics...  

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

Intermittent Single-Molecule Interfacial Electron Transfer Dynamics. Intermittent Single-Molecule Interfacial Electron Transfer Dynamics. Abstract: We report on single molecule...

107

Artificial molecules that switch "handedness" at light-speed  

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

molecules that switch "handedness" Artificial molecules that switch "handedness" at light-speed Researchers create the first artificial molecules whose chirality can be...

108

Career Opportunities in Biotechnology and Drug Developmentand Drug Development  

E-Print Network (OSTI)

Career Opportunities in Biotechnology and Drug Developmentand Drug Development Career Opportunities.careersbiotech.com Copyright © 2007 Career Opportunities in Biotechnology and Drug Development. All rights reserved. 1 #12-inflammatories www.careersbiotech.com Copyright © 2007 Career Opportunities in Biotechnology and Drug Development

Puglisi, Joseph

109

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.

110

Macrophage Reporter Cell Assay for Screening Immunopharmacological Activity of Cell Wall-Active Antifungals  

Science Journals Connector (OSTI)

...a modification of methods described by Wheeler and Fink (3) for evaluating macrophage...1726-1733. doi: 10.1086/314495 . 3. Wheeler, RT , and GR Fink. 2006. A drug-sensitive...176-185. doi: 10.1086/589304 . 5. Wheeler, RT , D Kombe, SD Agarwala, and GR...

Russell E. Lewis; Guangling Liao; Katherine Young; Cameron Douglas; Dimitrios P. Kontoyiannis

2014-01-06T23:59:59.000Z

111

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

SciTech Connect

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

112

Probing Single-Molecule Protein Conformational Dynamics. | EMSL  

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

Single-Molecule Protein Conformational Dynamics. Probing Single-Molecule Protein Conformational Dynamics. Abstract: Protein conformational fluctuations and dynamics, often...

113

Clay Nanoparticle-Supported Single-Molecule FluorescenceSpectroelectr...  

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

Clay Nanoparticle-Supported Single-Molecule Fluorescence Spectroelectrochemistry. Clay Nanoparticle-Supported Single-Molecule Fluorescence Spectroelectrochemistry. Abstract: We...

114

Slowing molecules by optical microlinear deceleration  

SciTech Connect

We study the creation of stationary cold molecules by rapid deceleration of supersonically cooled molecules in a high-intensity pulsed optical lattice. Using the heavy molecule I{sub 2} as an example we predict the evolution of the velocity distribution function of the ensemble during the deceleration period, and show that stationary cold molecules with temperatures below 1 K and densities of approximately 10{sup 12} cm{sup -3} can be produced over length scales of hundreds of micrometers on submicrosecond time scales.

Barker, P.F.; Shneider, M.N. [Department of Physics, Heriot-Watt University, Edinburgh, EH14 4AS, Scotland (United Kingdom); Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, New Jersey, 08544 (United States)

2002-12-01T23:59:59.000Z

115

Intramolecular Processes in Isolated Polyatomic Molecules  

Science Journals Connector (OSTI)

This paper deals with certain rather well known unimolecular processes which occur in isolated polyatomic molecules. These processes are (i) chemical reactions, forming fragments with identifiable internal and...

Martin R. Levy; Anita M. Renlund…

1983-01-01T23:59:59.000Z

116

Statistics of Single-Molecule Detection  

Science Journals Connector (OSTI)

Statistics of Single-Molecule Detection ... K(ti+1,ti,r?i+1,r?i) is the probability that no photon is detected and no photobleaching happens between ti and ti+1, if the molecule was at position r?i at time ti and at position r?i+1 at time ti+1 and ?tVf(r?) and ?tVbl(r?) are the probabilities to detect a photon and to photobleach the molecule within time ?t, respectively, if the molecule is at position r?. ... fluorescence without statistical anal. ...

Jörg Enderlein; David L. Robbins; W. Patrick Ambrose; Peter M. Goodwin; Richard A. Keller

1997-05-01T23:59:59.000Z

117

Covalent Bonding in Actinide Sandwich Molecules  

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

Covalent Bonding in Actinide Sandwich Molecules Print Glenn Seaborg was one of the first scientists to recognize that differences in the degree of covalent bonding in lanthanide...

118

High Throughput Single Molecule Investigation of Transcription.  

E-Print Network (OSTI)

??RNA Polymerase (RNAP) is a crucial protein molecule that decodes the information stored in DNA as base pair sequences, through a process called transcription. The… (more)

Kim, Soohong

2012-01-01T23:59:59.000Z

119

NMR studies of oriented molecules  

SciTech Connect

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

120

Single-Molecule Stochastic Resonance  

Science Journals Connector (OSTI)

Stochastic resonance (SR) is a well-known phenomenon in dynamical systems. It consists of the amplification and optimization of the response of a system assisted by stochastic (random or probabilistic) noise. Here we carry out the first experimental study of SR in single DNA hairpins which exhibit cooperatively transitions from folded to unfolded configurations under the action of an oscillating mechanical force applied with optical tweezers. By varying the frequency of the force oscillation, we investigate the folding and unfolding kinetics of DNA hairpins in a periodically driven bistable free-energy potential. We measure several SR quantifiers under varied conditions of the experimental setup such as trap stiffness and length of the molecular handles used for single-molecule manipulation. We find that a good quantifier of the SR is the signal-to-noise ratio (SNR) of the spectral density of measured fluctuations in molecular extension of the DNA hairpins. The frequency dependence of the SNR exhibits a peak at a frequency value given by the resonance-matching condition. Finally, we carry out experiments on short hairpins that show how SR might be useful for enhancing the detection of conformational molecular transitions of low SNR.

K. Hayashi; S. de Lorenzo; M. Manosas; J. M. Huguet; F. Ritort

2012-08-24T23:59:59.000Z

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

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

Science Journals Connector (OSTI)

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

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

2010-02-16T23:59:59.000Z

122

Marketing of New Drugs  

Science Journals Connector (OSTI)

Marketing of New Drugs ... But there was no doubt an excess of expenditure for promotional purposes in recent years and the industry is gradually reducing this because the sales department cannot ask for the marketing of as many new products has it did in the past. ...

PAUL DE HAEN

1964-10-12T23:59:59.000Z

123

Electrostatic Properties of Adsorbed Polar Molecules: Opposite Behavior of a Single Molecule and a Molecular  

E-Print Network (OSTI)

Electrostatic Properties of Adsorbed Polar Molecules: Opposite Behavior of a Single Molecule.kronik@weizmann.ac.il Abstract: We compare the electrostatic behavior of a single polar molecule adsorbed on a solid substrate with that of an adsorbed polar monolayer. This is accomplished by comparing first principles calculations obtained within

Shapira, Yoram

124

Single-Molecule Solvation-Shell Sensing  

Science Journals Connector (OSTI)

We present a new route to single-molecule sensing via solvation shells surrounding a current-carrying backbone molecule. As an example, we show that the presence of a water solvation shell “gates” the conductance of a family of oligothiophene-containing molecular wires, and that the longer the oligothiophene, the larger is the effect. For the longest example studied, the molecular conductance is over 2 orders of magnitude larger in the presence of a shell comprising just 10 water molecules. A first principles theoretical investigation of electron transport through the molecules, using the nonequilibrium Green’s function method, shows that water molecules interact directly with the thiophene rings, significantly shifting transport resonances and greatly increasing the conductance. This reversible effect is confirmed experimentally through conductance measurements performed in the presence of moist air and dry argon.

E. Leary; H. Höbenreich; S. J. Higgins; H. van Zalinge; W. Haiss; R. J. Nichols; C. M. Finch; I. Grace; C. J. Lambert; R. McGrath; J. Smerdon

2009-02-23T23:59:59.000Z

125

IN VITRO AND IN VIVO EVALUATION OF NOVEL I-DOMAIN CONJUGATES FOR DRUG TARGETING TO IMMUNE CELLS AND SUPPRESSION OF EAE IN MICE  

E-Print Network (OSTI)

The long-term objective of this project is to utilize the I-domain of leukocyte function associated antigen-1 (LFA-1) to target antigenic peptides and drugs to intercellular adhesion molecule-1 (ICAM-1) expressed on the ...

Manikwar, Prakash

2010-06-23T23:59:59.000Z

126

Candidate Radiation Drugs Inch Forward  

Science Journals Connector (OSTI)

Candidate Radiation Drugs Inch Forward 10.1126/science.331.6024...radiation, workers at the damaged Fukushima nuclear plant wear protective gear...Candidate radiation drugs inch forward. | News | 0 (E)-4-carboxystyryl-4-chlorobenzylsulfone...

Yudhijit Bhattacharjee

2011-03-25T23:59:59.000Z

127

Life at the Single Molecule Level  

SciTech Connect

In a living cell, gene expression—the transcription of DNA to messenger RNA followed by translation to protein—occurs stochastically, as a consequence of the low copy number of DNA and mRNA molecules involved. Can one monitor these processes in a living cell in real time? How do cells with identical genes exhibit different phenotypes? Recent advances in single-molecule imaging in living bacterial cells allow these questions to be answered at the molecular level in a quantitative manner. It was found that rare events of single molecules can have important biological consequences.

Xie, Xiaoliang Sunny (Harvard) [Harvard

2011-03-04T23:59:59.000Z

128

Drug Testing for DOE Positions | Department of Energy  

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

Drug Testing for DOE Positions Drug Testing for DOE Positions Drug Testing for DOE Positions Drug Testing Matrix Secretary Bodman's Memorandum Regarding Drug Testing at DOE Fact...

129

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

130

Photo-Ionization of Molecules near Threshold  

Science Journals Connector (OSTI)

An orthogonalized Coulomb-wave method for the construction of continuum wave functions of molecules is described. Hydrogenic functions of definite angular momentum, which transform according to the irreducible representations of the point group of the molecule, are phenomenologically used as trial functions. Corrections to the trial functions are made by orthogonalizing them to charge rearrangement states of the molecule. The photo-ionization cross section is obtained by summing over the asymptotic angular-momentum quantum number. The method is exemplified by calculation of the photo-ionization cross sections of the ground and first excited states of the anthracene molecule in the range of 1.5 eV above threshold.

John P. Hernandez

1968-03-05T23:59:59.000Z

131

Magnetic control of a meta-molecule  

Science Journals Connector (OSTI)

Metamaterials offer the prospect of new science and applications. They have been designed by shaping or changing the material of the individual meta-molecules to achieve properties not...

Stenning, Gavin B G; Bowden, Graham J; Maple, Lewis C; Gregory, Simon A; Sposito, Alberto; Eason, Robert W; Zheludev, Nikolay I; de Groot, Peter A J

2013-01-01T23:59:59.000Z

132

Single-molecule kinetics of nanoparticle catalysis  

Science Journals Connector (OSTI)

Owing to their structural dispersion, the catalytic properties of nanoparticles are challenging to characterize in ensemble-averaged measurements. The single-molecule approach enables studying the catalysis of na...

Weilin Xu; Hao Shen; Guokun Liu; Peng Chen

2009-12-01T23:59:59.000Z

133

Single Molecule Probes of Lipid Membrane Structure  

E-Print Network (OSTI)

structural metrics with function in biological membranes. Single-molecule fluorescence studies were used to measure membrane structure at the molecular level. Several groups have shown that polarized total internal reflection fluorescence microscopy (PTIRF...

Livanec, Philip W.

2009-12-14T23:59:59.000Z

134

Single-Molecule Detection with Active Transport.  

E-Print Network (OSTI)

??A glass capillary is used near the focal region of a custom-built confocal microscope to investigate the use of active transport for single-molecule detection in… (more)

Ball, David Allan

2006-01-01T23:59:59.000Z

135

Indistinguishable Photons from a Single Molecule  

E-Print Network (OSTI)

We report the results of coincidence counting experiments at the output of a Michelson interferometer using the zero-phonon-line emission of a single molecule at $1.4 K$. Under continuous wave excitation, we observe the absence of coincidence counts as an indication of two-photon interference. This corresponds to the observation of Hong-Ou-Mandel correlations and proves the suitability of the zero-phonon-line emission of single molecules for applications in linear optics quantum computation.

A. Kiraz; M. Ehrl; Th. Hellerer; O. E. Mustecaplioglu; C. Brauchle; A. Zumbusch

2005-05-05T23:59:59.000Z

136

Single Molecule Detection of Nanomechanical Motion  

Science Journals Connector (OSTI)

We investigate theoretically how single molecule spectroscopy techniques can be used to perform fast and high resolution displacement detection and manipulation of nanomechanical oscillators, such as singly clamped carbon nanotubes. We analyze the possibility of real time displacement detection by the luminescence signal and of displacement fluctuations by the degree of second order coherence. Estimates of the electromechanical coupling constant indicate that intriguing regimes of strong backaction between the two-level system of a molecule and the oscillator can be realized.

Vadim Puller; Brahim Lounis; Fabio Pistolesi

2013-03-19T23:59:59.000Z

137

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

138

Tools for Single-Molecule Sequence Detection and Manipulation  

E-Print Network (OSTI)

J. & Smith, D. E. Single-molecule studies of DNA mechanics.polymer physics at the single-molecule level. Phil. Trans.Block, S. High-Resolution, Single-Molecule Measurements of

Zohar, Hagar

2011-01-01T23:59:59.000Z

139

Scaffolding Carbon Nanotubes into Single-Molecule Circuitry  

E-Print Network (OSTI)

carbon nanotubes as single-molecule biosensors. Nano Lett.1990). S.N. Xie: Single-molecule approach to enzymology.improvements to the single molecule oxidation of carbon

Collins, Philip G

2008-01-01T23:59:59.000Z

140

Single Molecule and Synthetic Biology Studies of Transcription  

E-Print Network (OSTI)

R.J. et al. Single-molecule study of transcriptional pausingBustamante, C. Single molecule transcription elongation.RNA polymerase. A single-molecule view of the transcription

Zamft, Bradley Michael

2011-01-01T23:59:59.000Z

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.


141

Single-molecule reactions and spectroscopy via vibrational excitation  

Science Journals Connector (OSTI)

...J. Kelly and R. E. Palmer Single-molecule reactions and spectroscopy via...Inelastic Tunnelling|Vibration|Single Molecule|Scanning Tunnelling Microscopy (Stm)| Single-molecule reactions and spectroscopy via...

2004-01-01T23:59:59.000Z

142

Single-molecule studies of DNA dynamics and intermolecular forces  

E-Print Network (OSTI)

forces imposed on a single molecule in a concentratedOF THE DISSERTATION Single-Molecule Studies of DNA DynamicsRecently developed single-molecule techniques, which allow

Robertson, Rae Marie

2007-01-01T23:59:59.000Z

143

Single-Molecule Lysozyme Dynamics Monitored by an Electronic Circuit  

E-Print Network (OSTI)

Chem. B 38. S. N. Xie, Single Molecules 2, 229 (2001). 39.Technol. 26, 1338 (2010). Single-Molecule Lysozyme Dynamicsprobe the dynamics of single molecules (1) and overcome the

Collins, Philip G

2012-01-01T23:59:59.000Z

144

Biology and polymer physics at the single–molecule level  

Science Journals Connector (OSTI)

...Olmsted Biology and polymer physics at the single-molecule level Steven Chu Department of Physics...be hidden from view can be clearly seen in single-molecule experiments. single-molecule biology|polymer dynamics|biological physics...

2003-01-01T23:59:59.000Z

145

Single-molecule microscopy study of nano-systems.  

E-Print Network (OSTI)

??In this work, techniques were developed and used to study the properties of molecules on a single-molecule level. Single-molecule techniques have the major advantage, that… (more)

Heiss, Gregor

2011-01-01T23:59:59.000Z

146

Drug Therapy: Alzheimer's Disease  

Science Journals Connector (OSTI)

...provide evidence supporting the concept that vitamin E, as well as vitamin C, has a role in delaying the onset of Alzheimer's disease.– Memantine. Memantine, an N-methyl-D-aspartate antagonist recently approved by the Food and Drug Administration (FDA) for the treatment of moderate-to-severe Alzheimer's... The prevalence of Alzheimer's disease is predicted to reach 13.2 million cases in the United States. This article considers current therapeutic approaches for Alzheimer's disease. Optimal management requires accurate diagnosis, which is increasingly based on an understanding of pathophysiology. Neuroprotective strategies, cholinesterase inhibitors, psychopharmacologic agents that may reduce behavioral disturbances, and newer agents such as memantine are discussed.

Cummings J.L.

2004-07-01T23:59:59.000Z

147

New Small-Molecule Synthetic Antimycobacterials  

Science Journals Connector (OSTI)

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

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

2005-06-01T23:59:59.000Z

148

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

SciTech Connect

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

149

Single Molecule Detection and Bead Trapping in Microstructures for Molecule Selection and DNA Degradation  

Science Journals Connector (OSTI)

Single diffusing, as well as fast flowing (10 mm/s), tetramethylrhodamine labeled molecules (TMR-4-dUTP) were detected in...

Michael Gösch; Zeno Földes-Papp; Hans Blom; Johan Holm…

2000-01-01T23:59:59.000Z

150

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

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

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

151

Single-molecule imaging studies of protein dynamics.  

E-Print Network (OSTI)

??Single-molecule fluorescence imaging is a powerful method for studying biological events. The work of this thesis primarily focuses on single molecule studies of the dynamics… (more)

Zareh, Shannon Kian

2011-01-01T23:59:59.000Z

152

Electronic transport and correlations in single magnetic molecule devices.  

E-Print Network (OSTI)

??In this dissertation, we study the most important microscopic aspects that grant molecules such as Single Molecule Magnets (SMMs) their preferential spin direction. We do… (more)

Romero, Javier

2014-01-01T23:59:59.000Z

153

Biomimetic Dye Molecules for Solar Cells  

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

Biomimetic Dye Molecules for Solar Cells Print Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal devices, but rather low-end cells based on organic molecules or conducting polymers. Vital information for making organic solar cells more competitive for widespread implementation was obtained using near-edge x-ray absorption fine structure (NEXAFS) spectroscopy performed at ALS Beamline 8.0.1. The relevant energy levels of biomimetic dye molecules were mapped out systematically by determining their unoccupied molecular orbitals and their orientation. Organic molecules in dye-sensitized solar cells exhibit great potential to increase the efficiency and reduce the cost of photovoltaic power generation by allowing a wide variety of chemical modifications and combinations with inorganic nanocrystals.

154

Biomimetic Dye Molecules for Solar Cells  

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

Biomimetic Dye Molecules for Solar Cells Print Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal devices, but rather low-end cells based on organic molecules or conducting polymers. Vital information for making organic solar cells more competitive for widespread implementation was obtained using near-edge x-ray absorption fine structure (NEXAFS) spectroscopy performed at ALS Beamline 8.0.1. The relevant energy levels of biomimetic dye molecules were mapped out systematically by determining their unoccupied molecular orbitals and their orientation. Organic molecules in dye-sensitized solar cells exhibit great potential to increase the efficiency and reduce the cost of photovoltaic power generation by allowing a wide variety of chemical modifications and combinations with inorganic nanocrystals.

155

Biomimetic Dye Molecules for Solar Cells  

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

Biomimetic Dye Molecules for Solar Cells Print Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal devices, but rather low-end cells based on organic molecules or conducting polymers. Vital information for making organic solar cells more competitive for widespread implementation was obtained using near-edge x-ray absorption fine structure (NEXAFS) spectroscopy performed at ALS Beamline 8.0.1. The relevant energy levels of biomimetic dye molecules were mapped out systematically by determining their unoccupied molecular orbitals and their orientation. Organic molecules in dye-sensitized solar cells exhibit great potential to increase the efficiency and reduce the cost of photovoltaic power generation by allowing a wide variety of chemical modifications and combinations with inorganic nanocrystals.

156

Biomimetic Dye Molecules for Solar Cells  

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

Biomimetic Dye Molecules for Solar Cells Print Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal devices, but rather low-end cells based on organic molecules or conducting polymers. Vital information for making organic solar cells more competitive for widespread implementation was obtained using near-edge x-ray absorption fine structure (NEXAFS) spectroscopy performed at ALS Beamline 8.0.1. The relevant energy levels of biomimetic dye molecules were mapped out systematically by determining their unoccupied molecular orbitals and their orientation. Organic molecules in dye-sensitized solar cells exhibit great potential to increase the efficiency and reduce the cost of photovoltaic power generation by allowing a wide variety of chemical modifications and combinations with inorganic nanocrystals.

157

Biomimetic Dye Molecules for Solar Cells  

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

Biomimetic Dye Molecules for Solar Cells Print Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal devices, but rather low-end cells based on organic molecules or conducting polymers. Vital information for making organic solar cells more competitive for widespread implementation was obtained using near-edge x-ray absorption fine structure (NEXAFS) spectroscopy performed at ALS Beamline 8.0.1. The relevant energy levels of biomimetic dye molecules were mapped out systematically by determining their unoccupied molecular orbitals and their orientation. Organic molecules in dye-sensitized solar cells exhibit great potential to increase the efficiency and reduce the cost of photovoltaic power generation by allowing a wide variety of chemical modifications and combinations with inorganic nanocrystals.

158

Biomimetic Dye Molecules for Solar Cells  

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

Biomimetic Dye Molecules for Solar Cells Print Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal devices, but rather low-end cells based on organic molecules or conducting polymers. Vital information for making organic solar cells more competitive for widespread implementation was obtained using near-edge x-ray absorption fine structure (NEXAFS) spectroscopy performed at ALS Beamline 8.0.1. The relevant energy levels of biomimetic dye molecules were mapped out systematically by determining their unoccupied molecular orbitals and their orientation. Organic molecules in dye-sensitized solar cells exhibit great potential to increase the efficiency and reduce the cost of photovoltaic power generation by allowing a wide variety of chemical modifications and combinations with inorganic nanocrystals.

159

Allosteric Modulation of DNA by Small Molecules  

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

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

160

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

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

Diamond based single molecule magnetic resonance spectroscopy  

E-Print Network (OSTI)

The detection of a nuclear spin in an individual molecule represents a key challenge in physics and biology whose solution has been pursued for many years. The small magnetic moment of a single nucleus and the unavoidable environmental noise present the key obstacles for its realization. Here, we demonstrate theoretically that a single nitrogen-vacancy (NV) center in diamond can be used to construct a nano-scale single molecule spectrometer that is capable of detecting the position and spin state of a single nucleus and can determine the distance and alignment of a nuclear or electron spin pair. The proposed device will find applications in single molecule spectroscopy in chemistry and biology, such as in determining protein structure or monitoring macromolecular motions and can thus provide a tool to help unravelling the microscopic mechanisms underlying bio-molecular function.

Jianming Cai; Fedor Jelezko; Martin B. Plenio; Alex Retzker

2011-12-23T23:59:59.000Z

162

Evidence of disorder in biological molecules from single molecule pulling experiments  

E-Print Network (OSTI)

Heterogeneity in biological molecules, resulting in molecule-to-molecule variations in their dynamics and function, is an emerging theme. To elucidate the consequences of heterogeneous behavior at the single molecule level, we propose an exactly solvable model in which the unfolding rate due to mechanical force depends parametrically on an auxiliary variable representing an entropy barrier arising from fluctuations in internal dynamics. When the rate of fluctuations, a measure of dynamical disorder, is comparable to or smaller than the rate of force-induced unbinding, we show that there are two experimentally observable consequences: non-exponential survival probability at constant force, and a heavy-tailed rupture force distribution at constant loading rate. By fitting our analytical expressions to data from single molecule pulling experiments on proteins and DNA, we quantify the extent of disorder. We show that only by analyzing data over a wide range of forces and loading rates can the role of disorder due...

Hyeon, Changbong; Thirumalai, D

2014-01-01T23:59:59.000Z

163

Drug Detection Study  

Office of Scientific and Technical Information (OSTI)

ORISE-07-NSEM-0544 ORISE-07-NSEM-0544 U.S. Department of Energy Office of Health, Safety and Security Office of Security Policy Drug Retention Times Center for Human Reliability Studies Oak Ridge Institute for Science and Education Operated by Oak Ridge Associated Universities For the U.S. Department of Energy Oak Ridge Associated Universities (ORAU) is a university consortium leveraging the scientific strength of major research institutions to advance science and education by partnering with national laboratories, government agencies, and private industry. ORAU manages the Oak Ridge Institute for Science and Education for the U.S. Department of Energy. The Oak Ridge Institute for Science and Education (ORISE) is a U.S. Department of Energy institute focusing on

164

Centrifugal Distortion in Asymmetric Molecules. II. HDS  

Science Journals Connector (OSTI)

A perturbation method for relating the theory of centrifugal distortion in asymmetric top molecules to observed microwave Q branch, a or c type transitions, is presented. The formula for the distortion correction is expressed in terms of the total angular momentum, J, the symmetry axis momentum of the nearest symmetric top, K, and five distortion constants. The formula yields a satisfactory fit to the observed spectrum of HDS (??-0.5). The electric dipole moment is determined as 1.02±0.02 debye. The inertia defect and distortion constants are calculated. The effective structure for the HDS molecule so determined is in agreement with infrared determinations.

R. E. Hillger and M. W. P. Strandberg

1951-08-01T23:59:59.000Z

165

Solid lipid nanoparticle and nanoparticle lipid carrier for controlled drug delivery – a review of state of art and recent advances  

Science Journals Connector (OSTI)

It is estimated that nearly 40% of new drug molecules are suffering from poor water solubility, insufficient bioavailability, fluctuating plasma levels or high food dependency. Major efforts have been spent for the development of customised drug carriers to overcome the disappointing in vivo fates of the drug. Both the SLN and NLC are attractive carriers for topical cosmetic and pharmaceutical products. Solid lipid nanoparticles (SLNs) introduced as an alternative carrier system to traditional colloidal carriers, such as emulsions, liposomes and polymeric micro- and nanoparticles. SLN combine advantages of the traditional systems but avoid some of their major disadvantages. This paper reviews the present state of the art regarding production techniques for SLN, drug incorporation, loading capacity and drug release, especially focusing on drug release mechanisms. The potential of SLN to be exploited for the different administration routes is highlighted and also reviews about SLN and NLC's stability, toxicity, pharmacokinetic profile, application and its future perspectives.

R. Thiruganesh; S.K. Uma Devi

2010-01-01T23:59:59.000Z

166

Dependence of single molecule junction conductance on molecular conformation  

E-Print Network (OSTI)

1 Dependence of single molecule junction conductance on molecular conformation Latha Venkataraman1 of a single metal-molecule-metal junction depends not only on the chemical nature of the molecule used in unimolecular devices. Here, using amine link groups13 to form single molecule junctions, we show a clear

Hone, James

167

Electromechanical Unzipping of Individual DNA Molecules Using  

E-Print Network (OSTI)

Electromechanical Unzipping of Individual DNA Molecules Using Synthetic Sub-2 nm Pores Ben Mc synthetic pores can be used to electrome- chanically unzip DNA duplexes.13 However, direct measure- ment time that the unzipping kinetics of individual DNA duplexes can be probed by analyzing the dwell

168

Adsorption of small molecules on graphene  

Science Journals Connector (OSTI)

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

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

2009-04-01T23:59:59.000Z

169

ARTICLES ON SINGLE-MOLECULE PHYSICS AND CHEMISTRY Direct measurements of memory effects in single-molecule kinetics  

E-Print Network (OSTI)

ARTICLES ON SINGLE-MOLECULE PHYSICS AND CHEMISTRY Direct measurements of memory effects in single-molecule and correlations of single-molecule sequences of modulated reactions are explicitly evaluated in the stochastic of the stochastic rate expression, characterizes the correlation in single-molecule rate processes in a formalism

Cao, Jianshu

170

Lommerse et al. Single-Molecule Imaging ... Single-molecule imaging of lipid-anchored proteins reveals  

E-Print Network (OSTI)

Lommerse et al. Single-Molecule Imaging ... 1 Single-molecule imaging of lipid-anchored proteins in "Biophys J 86, 1 Pt 1 (2004) 609-16" #12;Lommerse et al. Single-Molecule Imaging ... 2 Manuscript, fluorescence recovery after photobleaching hal-00143982,version1-29Apr2007 #12;Lommerse et al. Single-Molecule

Boyer, Edmond

171

Clinton plan to speed cancer drug approval  

Science Journals Connector (OSTI)

Clinton plan to speed cancer drug approval ... Accelerated approval and three other proposals "will affect at least 100 drugs now being studied," he notes, cutting FDA review time for some of these drugs from 12 months to six months. ...

1996-04-08T23:59:59.000Z

172

Report on AOAC, Narcotic and Dangerous Drugs  

Science Journals Connector (OSTI)

......Report on AOAC, narcotic and dangerous drugs. | Journal Article...Report on AOAC, Narcotic and Dangerous Drugs by Anthony Romano...Bureau of Narcotics and Dangerous Drugs, Miami, Florida 33132...substances affect- ing public health." The AOAC itself maintains......

Anthony Romano; Jr.

1972-05-01T23:59:59.000Z

173

Clinical Manifestations of Allergic Diseases: Drug Hypersensitivity  

Science Journals Connector (OSTI)

Drug allergies are those adverse drug reactions that are mediated by the specific immune system. Primary sensitization may involve T-cells alone or both T and B-cells with consecutive production of drug specif...

Benno Schnyder; Werner J. Pichler

2009-01-01T23:59:59.000Z

174

DNA molecule manipulation by motor proteins for analysis at the single-molecule level  

Science Journals Connector (OSTI)

Massively parallel and individual DNA manipulation for analysis has been demonstrated by designing a fully self-assembled molecular system using motor proteins. DNA molecules were immobilized by trapping in a pol...

Ryuji Yokokawa; Junichi Miwa…

2008-08-01T23:59:59.000Z

175

THUMBS DOWN ON DRUG WAR WEAPON  

Science Journals Connector (OSTI)

THUMBS DOWN ON DRUG WAR WEAPON ... Mycoherbicides have been viewed as a potentially potent weapon in the worldwide war on illicit drugs. ...

CHERYL HOGUE

2011-12-05T23:59:59.000Z

176

Plan to speed up drug review approved  

Science Journals Connector (OSTI)

Plan to speed up drug review approved ... Proposed changes in the New Drug Application procedure will shorten review times, reduce paperwork, and save money ...

DAVID HANSON

1982-07-12T23:59:59.000Z

177

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-Ariño; Guillermo Mínguez Espallargas

2014-08-22T23:59:59.000Z

178

Single molecule studies of DNA mismatch repair  

Science Journals Connector (OSTI)

Abstract DNA mismatch repair, which involves is a widely conserved set of proteins, is essential to limit genetic drift in all organisms. The same system of proteins plays key roles in many cancer related cellular transactions in humans. Although the basic process has been reconstituted in vitro using purified components, many fundamental aspects of DNA mismatch repair remain hidden due in part to the complexity and transient nature of the interactions between the mismatch repair proteins and DNA substrates. Single molecule methods offer the capability to uncover these transient but complex interactions and allow novel insights into mechanisms that underlie DNA mismatch repair. In this review, we discuss applications of single molecule methodology including electron microscopy, atomic force microscopy, particle tracking, FRET, and optical trapping to studies of DNA mismatch repair. These studies have led to formulation of mechanistic models of how proteins identify single base mismatches in the vast background of matched DNA and signal for their repair.

Dorothy A. Erie; Keith R. Weninger

2014-01-01T23:59:59.000Z

179

Single-molecule studies of riboswitch folding  

Science Journals Connector (OSTI)

Abstract The folding dynamics of riboswitches are central to their ability to modulate gene expression in response to environmental cues. In most cases, a structural competition between the formation of a ligand-binding aptamer and an expression platform (or some other competing off-state) determines the regulatory outcome. Here, we review single-molecule studies of riboswitch folding and function, predominantly carried out using single-molecule FRET or optical trapping approaches. Recent results have supplied new insights into riboswitch folding energy landscapes, the mechanisms of ligand binding, the roles played by divalent ions, the applicability of hierarchical folding models, and kinetic vs. thermodynamic control schemes. We anticipate that future work, based on improved data sets and potentially combining multiple experimental techniques, will enable the development of more complete models for complex RNA folding processes. This article is part of a Special Issue entitled: Riboswitches.

Andrew Savinov; Christian F. Perez; Steven M. Block

2014-01-01T23:59:59.000Z

180

Single-Molecule Electric Revolving Door  

Science Journals Connector (OSTI)

Figure 4. (a) The potential energy surface profile and (b) the quantum conductance at the Fermi level (lower panel) of molecule 4 with respect to the twist angle between the inner rotor and outer stator when no external electric field is applied (black curve) and when an external electric field (0.2 V/Å) is applied perpendicular to the outer ring surface. ... Figure 5 shows the histogram of 4000 conductance calculations for molecule 4 with random values for the self-energies of the left and right electrodes in the absence or presence of an electric field. ... Giannozzi, P.; Baroni, S.; Bonini, N.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D.; Chiarotti, G. L.; Cococcioni, M.; Dabo, I. J. Phys.: Condens. ...

Liang-Yan Hsu; Elise Y. Li; Herschel Rabitz

2013-10-15T23:59:59.000Z

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.


181

Frostbite Theater - Static Electricity Experiments - Polar Molecules  

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

Big Sparks, Little Sparks! Big Sparks, Little Sparks! Previous Video (Big Sparks, Little Sparks!) Frostbite Theater Main Index Next Video (Static Electricity and Bubbles!) Static Electricity and Bubbles! Polar Molecules What happens when an electrically charged object is brought near a stream of water? This is an easy experiment you can do yourself that shows that water molecules are polar! [ Show Transcript ] Announcer: Frostbite Theater presents... Cold Cuts! No baloney! Joanna and Steve: Just science! Joanna: Hi! I'm Joanna! Steve: And I'm Steve! Joanna: And this is a piece of PVC pipe! Steve: And this is a plastic cup that has a hole drilled into the bottom of it. So, when I fill it with water, it leaks out of the bottom. Joanna: If I charge the pipe, and then bring it close to the stream of

182

Langmuir Films of Polycyclic Molecules on Mercury  

SciTech Connect

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

183

Development of Proneurogenic, Neuroprotective Small Molecules  

Science Journals Connector (OSTI)

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

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

2011-01-06T23:59:59.000Z

184

Slow-Neutron Scattering by Molecules  

Science Journals Connector (OSTI)

The operator formalism in slow-neutron scattering theory introduced by Wick and by Zemach and Glauber is considered in an approximation in which molecular rotational and vibrational effects are explicitly separated. The combined effects of rotation and translation are treated in terms of the Sachs-Teller "mass-tensor" concept, which is rederived on the basis of a rigid molecule Hamiltonian and extended to include interference effects. Only elastic vibrational transitions from the ground vibrational state are considered. The applicable neutron energy range is restricted to values large compared to the rotational level separation but below the vibrational threshold.The method is applicable to the calculation of differential as well as total scattering cross sections and to molecules of arbitrary structure. Expressions in closed form for these cross sections are obtained through use of an approximate procedure for averaging over molecular orientations. In the case of hydrogenous molecules, where direct scattering is dominant, the scattering by a given nucleus is described in terms of two parameters, viz., an effective nuclear mass for rotation and translation, and a vibrational constant. The relative simplicity of the method is illustrated in the calculation of the differential and total cross sections of CH4 and the total cross section of H2. Agreement of these calculations with experiment and with other calculations is good.

T. J. Krieger and M. S. Nelkin

1957-04-15T23:59:59.000Z

185

Local drug delivery for enhancing fracture healing in osteoporotic bone  

Science Journals Connector (OSTI)

Abstract Fragility fractures can cause significant morbidity and mortality in patients with osteoporosis and inflict a considerable medical and socioeconomic burden. Moreover, treatment of an osteoporotic fracture is challenging due to the decreased strength of the surrounding bone and suboptimal healing capacity, predisposing both to fixation failure and non-union. Whereas a systemic osteoporosis treatment acts slowly, local release of osteogenic agents in osteoporotic fracture would act rapidly to increase bone strength and quality, as well as to reduce the bone healing period and prevent development of a problematic non-union. The identification of agents with potential to stimulate bone formation and improve implant fixation strength in osteoporotic bone has raised hope for the fast augmentation of osteoporotic fractures. Stimulation of bone formation by local delivery of growth factors is an approach already in clinical use for the treatment of non-unions, and could be utilized for osteoporotic fractures as well. Small molecules have also gained ground as stable and inexpensive compounds to enhance bone formation and tackle osteoporosis. The aim of this paper is to present the state of the art on local drug delivery in osteoporotic fractures. Advantages, disadvantages and underlying molecular mechanisms of different active species for local bone healing in osteoporotic bone are discussed. This review also identifies promising new candidate molecules and innovative approaches for the local drug delivery in osteoporotic bone.

Laura Kyllönen; Matteo D’Este; Mauro Alini; David Eglin

2014-01-01T23:59:59.000Z

186

Making Maps of the Molecules in Seeds | The Ames Laboratory  

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

Making Maps of the Molecules in Seeds Scientists have advanced methods to make maps of the locations of molecules within plant materials. Resolution of 10 to 50 microns, less than...

187

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

188

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

189

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

190

Single-molecule detection and tracking in plants  

Science Journals Connector (OSTI)

Combining optical properties with a limited choice of fluorophores turns single-molecule imaging in plants into a challenging task. ... however, also apply to the application of single-molecule microscopy to any ...

Markus Langhans; Tobias Meckel

2014-03-01T23:59:59.000Z

191

Optimal Statistical Methods for Analysis of Single-Molecule Data  

E-Print Network (OSTI)

5 Application to Single Molecule Trajectories 5.1 Maximum13 Methods and Materials 13.1 A server-based single-moleculeto-End Distance on Single-Molecule Experi- ment Time Scales

Watkins, Lucas

2009-01-01T23:59:59.000Z

192

Evidence of disorder in biological molecules from single molecule pulling experiments  

E-Print Network (OSTI)

Heterogeneity in biological molecules, resulting in molecule-to-molecule variations in their dynamics and function, is an emerging theme. To elucidate the consequences of heterogeneous behavior at the single molecule level, we propose an exactly solvable model in which the unfolding rate due to mechanical force depends parametrically on an auxiliary variable representing an entropy barrier arising from fluctuations in internal dynamics. When the rate of fluctuations, a measure of dynamical disorder, is comparable to or smaller than the rate of force-induced unbinding, we show that there are two experimentally observable consequences: non-exponential survival probability at constant force, and a heavy-tailed rupture force distribution at constant loading rate. By fitting our analytical expressions to data from single molecule pulling experiments on proteins and DNA, we quantify the extent of disorder. We show that only by analyzing data over a wide range of forces and loading rates can the role of disorder due to internal dynamics be quantitatively assessed.

Changbong Hyeon; Michael Hinczewski; D. Thirumalai

2014-02-26T23:59:59.000Z

193

Single-molecule electron transfer reactions in nanomaterials  

SciTech Connect

Here we report the study of single molecule electron transfer dynamics by coupling fluorescence microscopy at a conventional electrochemical cell. The single-molecule fluorescence spectroelectrochemistry of cresyl violet in aqueous solution and on nanoparticle surface were studied. We observed that the single-molecule fluorescence intensity of cresyl violet is modulated synchronously with the cyclic voltammetric potential scanning. We attribute the fluorescence intensity change of single cresyl violet molecules to the electron transfer reaction driven by the electrochemical potential.

Hu, Dehong; Lei, Chenghong; Ackerman, Eric J.

2009-07-26T23:59:59.000Z

194

The overdose of drugs in Japan  

Science Journals Connector (OSTI)

... spenders on prescription drugs. Among the top-selling drugs are anti-cancer agents peculiar to Japan that are of questionable efficacy and yet have sales of hundreds of millions of dollars ... -cancer drugs in other developed nations. Moreover, several of the drugs sold only in Japan have serious side effects. Justification of these contentions is to be found in Tables ...

Masanori Fukushima

1989-12-28T23:59:59.000Z

195

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

196

Upping fluorescence Paving the way for single-molecule medical  

E-Print Network (OSTI)

Upping fluorescence ­ Paving the way for single-molecule medical sensors The presence to the information content of single molecule fluorescence measurement[2]. Ideally, a single fluorophore should last in the collection of data at the single-molecule level where oxygen efficiently reduces the fluorescence lifetime

Strathclyde, University of

197

A Single-Molecule Study of RNA Catalysis and Folding  

E-Print Network (OSTI)

A Single-Molecule Study of RNA Catalysis and Folding Xiaowei Zhuang,1 * Laura E. Bartley,2 * Hazen and undocks from the ribozyme core was observed directly in single-molecule time trajectories, allowing. These results establish single-molecule fluorescence as a pow- erful tool for examining RNA folding. Virtually

Herschlag, Dan

198

Statistics and Related Topics in Single-Molecule Biophysics  

E-Print Network (OSTI)

Statistics and Related Topics in Single-Molecule Biophysics Hong Qian1 and S.C. Kou2 1 Department macromolecules one at a time in action, the field of single- molecule biophysics has witnessed extensive growth in both experiments and theory since then. A distinct feature of single-molecule biophysics

Borenstein, Elhanan

199

Single-Molecule Spectroscopy DOI: 10.1002/anie.201105388  

E-Print Network (OSTI)

Single-Molecule Spectroscopy DOI: 10.1002/anie.201105388 Single-Particle and Ensemble Diffusivities different approaches. The data obtained through the direct observation of dye molecule diffusion by single) with single-molecule sensitivity has recently provided us with a totally new view of diffusion

Ulm, Universität

200

Single Molecule Tip Enhanced Raman Spectroscopy NSF Grant # 1121262  

E-Print Network (OSTI)

MRSEC Single Molecule Tip Enhanced Raman Spectroscopy NSF Grant # 1121262 Matthew D. Sonntag1, it can "see" one single molecule at a time, this was carried out by studying the vibrational signature fingerprint that allows molecule identification. J. Phys. Chem. C, 2012, 116 (1), pp 478­483 · R6G-d4 · R6G-d0

Shahriar, Selim

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

Single-Molecule Spectroscopy DOI: 10.1002/ange.201105388  

E-Print Network (OSTI)

Single-Molecule Spectroscopy DOI: 10.1002/ange.201105388 Single-Particle and Ensemble Diffusivities different approaches. The data obtained through the direct observation of dye molecule diffusion by single) with single-molecule sensitivity has recently provided us with a totally new view of diffusion

Ulm, Universität

202

Single-molecule analysis of DNA-protein complexes  

E-Print Network (OSTI)

Single-molecule analysis of DNA-protein complexes using nanopores Breton Hornblower1,2, Amy Coombs1. In contrast, single-molecule measurements can reveal information masked by ensemble averaging in bulk with single-molecule approaches, hun- dreds of copies of the same complex must be analyzed. This often

Meller, Amit

203

Single-Molecule Dynamics and Mechanisms of Metalloregulators and Metallochaperones  

E-Print Network (OSTI)

Single-Molecule Dynamics and Mechanisms of Metalloregulators and Metallochaperones Peng Chen in using single-molecule fluorescence imaging techniques to identify the mechanisms of metal homeostaticR-family metalloregulators and copper chaperones can fulfill their functions. This work also summarizes other related single-molecule

Chen, Peng

204

Combined single-molecule force and fluorescence measurements for biology  

E-Print Network (OSTI)

Minireview Combined single-molecule force and fluorescence measurements for biology Mark I Wallace, some of which allow cellular processes to be examined at the level of a single molecule. In particular of resolv- ing single molecules in aqueous solution at room tempera- ture [1-7]. Now that the field is over

Wallace, Mark

205

Single-Molecule Circuits with Well-Defined Molecular Conductance  

E-Print Network (OSTI)

Single-Molecule Circuits with Well-Defined Molecular Conductance Latha Venkataraman,*,,| Jennifer E conductance measurements of single molecules. For an alkane diamine series with 2-8 carbon atoms leads to well-defined conductance measurements of a single molecule junction in a statistical study

Hone, James

206

The Relation between Structure and Quantum Interference in Single Molecule  

E-Print Network (OSTI)

The Relation between Structure and Quantum Interference in Single Molecule Junctions Troels pathways has recently attracted increased interest as an enabling tool for single- molecule electronic) to control the current flow through single-molecule devices has recently intensified.1-14 The idea

Thygesen, Kristian

207

Single-Molecule Magnetic Tweezers Studies of Type IB Topoisomerases  

E-Print Network (OSTI)

Chapter 7 Single-Molecule Magnetic Tweezers Studies of Type IB Topoisomerases Jan Lipfert, Daniel A the application of single-molecule force spectroscopy techniques to the study of topoisomerases. Magnetic tweezers properties of type IB topoisomerases can be monitored using this technique. Key words: Single-molecule

Dekker, Nynke

208

Thermopower of single-molecule devices Jens Koch,1  

E-Print Network (OSTI)

Thermopower of single-molecule devices Jens Koch,1 Felix von Oppen,1 Yuval Oreg,2 and Eran Sela2 1 May 2004; published 12 November 2004) We investigate the thermopower of single molecules weakly through single molecules (cf. Ref. 20). (2) Ap- proaches based on a parametric modeling of relevant mo

von Oppen, Felix

209

Nanocavity plasmonic device for ultrabroadband single molecule sensing  

E-Print Network (OSTI)

Nanocavity plasmonic device for ultrabroadband single molecule sensing Ryan M. Gelfand, Lukas.2235, 140.4780. Label-free single molecule detection is an exciting av- enue of study that will impact many detection time. Therefore, photonic sensing has become an attractive method for single molecule detection [7

Mohseni, Hooman

210

ccsd00001150 Getting DNA twist rigidity from single molecule  

E-Print Network (OSTI)

ccsd­00001150 (version 1) : 17 Feb 2004 Getting DNA twist rigidity from single molecule experiments to study the extension versus rotation diagrams of single supercoiled DNA molecules. We reproduce single DNA molecules in order to test their mechanical properties. A #12;rst way to manipulate a single

211

Nanochannel-Based Single Molecule Recycling John F. Lesoine,  

E-Print Network (OSTI)

Nanochannel-Based Single Molecule Recycling John F. Lesoine, Prahnesh A. Venkataraman, Peter C for measuring the fluorescence from a single molecule hundreds of times without surface immobilization. The approach is based on the use of electroosmosis to repeatedly drive a single target molecule in a fused

Novotny, Lukas

212

Quantitative Characterization of Filament Dynamics by Single-Molecule Lifetime  

E-Print Network (OSTI)

CHAPTER 29 Quantitative Characterization of Filament Dynamics by Single-Molecule Lifetime. Single-Molecule Lifetime Measurements A. Extract and Sample Preparation B. Microscopy C. Data Analysis Dynamics C. Connecting to Other Types of Measurements IV. Results and Conclusion References Abstract Single-molecule

Needleman, Daniel

213

Neutrino Spectroscopy with Atoms and Molecules  

E-Print Network (OSTI)

We give a comprehensive account of our proposed experimental method of using atoms or molecules in order to measure parameters of neutrinos still undetermined; the absolute mass scale, the mass hierarchy pattern (normal or inverted), the neutrino mass type (Majorana or Dirac), and the CP violating phases including Majorana phases. There are advantages of atomic targets, due to the closeness of available atomic energies to anticipated neutrino masses, over nuclear target experiments. Disadvantage of using atomic targets, the smallness of rates, is overcome by the macro-coherent amplification mechanism. The atomic or molecular process we use is a cooperative deexcitation of a collective body of atoms in a metastable level |e> emitting a neutrino pair and a photon; |e> -> |g> + gamma + nu_i nu_j where nu_i's are neutrino mass eigenstates. The macro-coherence is developed by trigger laser irradiation. We discuss aspects of the macro-coherence development by setting up the master equation for the target quantum state and propagating electric field. With a choice of heavy target atom or molecule such as Xe or I_2 that has a large M1 x E1 matrix element between |e> and |g>, we show that one can determine three neutrino masses along with the mass hierarchy pattern by measuring the photon spectral shape. If one uses a target of available energy of a fraction of 1 eV, Majorana CP phases may be determined. Our master equation, when applied to E1 x E1 transition such as pH_2 vibrational transition Xv=1 -> 0, can describe explosive PSR events in which most of the energy stored in |e> is released within a few nanoseconds. The present paper is intended to be self-contained explaining some details related theoretical works in the past, and further reports new simulations and our ongoing experimental efforts of the project to realize the neutrino mass spectroscopy using atoms/molecules.

Atsushi Fukumi; Susumu Kuma; Yuki Miyamoto; Kyo Nakajima; Itsuo Nakano; Hajime Nanjo; Chiaki Ohae; Noboru Sasao; Minoru Tanaka; Takashi Taniguchi; Satoshi Uetake; Tomonari Wakabayashi; Takuya Yamaguchi; Akihiro Yoshimi; Motohiko Yoshimura

2012-11-21T23:59:59.000Z

214

Analytic Independent Particle Model for Molecules  

Science Journals Connector (OSTI)

Solutions to the Schrödinger equation for an electron in an analytic spheroidal potential are considered. The analysis is carried out in the prolate spheroidal coordinate system resulting in a simple second-order differential equation which is solved numerically by the Cowell-Numerov method. Computations are presented for models of nitrogen and oxygen molecules. The energy levels can be brought into reasonable accord with experimental Rydberg levels by the adjustment of the two parameters of the spheroidal potential. The results of this study represent an interesting tutorial example of a realistic quantum mechanical problem.

J. E. Whalen; A. E. S. Green

1972-01-01T23:59:59.000Z

215

Rotational motion of molecules and neutron scattering  

Science Journals Connector (OSTI)

The differential neutron scattering cross section for scattering from a rigid rotating molecule in a general isotropic medium (condensed or gas state of matter) is presented. It is based on a model which assumes the complete rotational motion to consist of a damped form of free rotations and of damped librations respectively. The two phases of rotation are assumed to be coupled to microscopic density fluctuations in the medium in such a way that densities larger than the average allow only damped librations whereas densities lower than the average allow only damped rotations. The cross section is derived with the aid of a step function formalism first used by Singwi and Sjölander. Further use is made of Sears' earlier work on rotational scattering cross sections. The resulting cross section describes the molecular motions in a range of conditions from free rotations to undamped libration including all possible intermediate damped motions. The model differs from those created earlier insofar as the rotational diffusion is not necessarily described as a motion consisting of free rotations over smaller or larger angles interrupted by brief collisions. The collisions may in the present model be replaced by shorter or longer periods of libration. Numerical calculations of the Fourier transform S 1(?) of the first rotational relaxation function F 1(t) is performed using explicit models for the librational and rotational relaxation functions and for such a choice of numerical constants that the results should describe various hypothetical rotational motions of the methane molecule.

K. E. Larsson

1973-01-01T23:59:59.000Z

216

Theoretical investigation on single-molecule chiroptical spectroscopy  

SciTech Connect

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

217

Single molecule studies of bacterial transcription under Force and Torque using Optical Tweezers  

E-Print Network (OSTI)

Single molecule studies of RNAP as a molecularcheck) . . . . . . . . 119 A.5 Single Molecule TraditionalWang, M.D. (2002) Single molecule analysis of RNA polymerase

Mejia, Yara Xochitl

2009-01-01T23:59:59.000Z

218

Single-molecule observations of neck linker conformational changes in the kinesin motor protein  

E-Print Network (OSTI)

of myosin V by single-molecule fluorescence polarization.Figure Legends Figure 1 Single molecule FRET measurements ofrepresents a different single molecule. Transitions were

Tomishige, M; Stuurman, N; Vale, R

2006-01-01T23:59:59.000Z

219

E-Print Network 3.0 - affibody molecule aspect Sample Search...  

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

and Ecology ; Biology and Medicine 26 In Honor of W.E. Moerner: Confining Molecules for Single-Molecule Spectroscopy Summary: track individual molecules for tens of seconds....

220

Retention of transcription initiation factor sigma(70) in transcription elongation: Single-molecule analysis  

E-Print Network (OSTI)

laser excitation of single molecules. Proc Natl Acad Sci U Sdetection by single-molecule DNA nanomanipulation. Proc Natl1991). Transcription by single molecules of RNA-polymerase

2005-01-01T23:59:59.000Z

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.


221

Single Molecule Dynamics of Lysozyme Processing Distinguishes Linear and Cross-linked Peptidoglycan Substrates  

E-Print Network (OSTI)

pubs.acs.org/JACS Single-Molecule Dynamics of Lysozymepeptidoglycan substrates. Single-molecule monitoring wasdinates. 3?5 However, single-molecule studies, typically

Collins, Philip G

2012-01-01T23:59:59.000Z

222

Single-molecule dynamics of phytochrome-bound fluorophores probed by fluorescence correlation spectroscopy  

E-Print Network (OSTI)

Biophysics TITLE: Single molecule dynamics of phytochrome-1 (Cph1?). Single molecule diffusion measurements showedproperties at the single molecule level, making it an

2006-01-01T23:59:59.000Z

223

Low energy ion-molecule reactions  

SciTech Connect

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

224

Photo-Ionization of the Hydrogen Molecule  

Science Journals Connector (OSTI)

One-center wave functions are employed to investigate the photo-ionization of the hydrogen molecule from its ground state X(1s??g1+), from 700 to 300 Å. It is assumed that the residual ion is left in its ground state, and the free electron is in a p? or p? orbital. Using the one-center wave functions for H2+ for the internuclear distance equal to 1. 4a0, the free-electron wave functions are obtained by solving the integrodifferential equations in exchange and polarized-orbital approximations. The oscillator strengths obtained in the polarized-orbital approximation are found to be in satisfactory agreement with the experimental data.

S. P. Khare

1968-09-05T23:59:59.000Z

225

On SH Molecules in Umbral Spectra  

E-Print Network (OSTI)

Following our predictions on detectability, very weak lines of the SH molecules have been reported as identified in the photospheric spectrum of the Sun. This could be the first detection of a mercapto radical in the solar spectrum, thus placing confidence in the solar abundance of Sulfur. The observations additionally tested the utilized theoretical band oscillator strength. Sunspots being cooler than the photosphere are the hosts to a large number of molecular species. However, owing to photospheric radiation scattered into the observed umbra, the discoverers could not detect the lines of SH in the sunspot spectrum where they are expected to show larger than the photospheric equivalent widths (EWs in short). Detection of weak lines in photospheric spectrum coupled with a no-detection of the relatively strong same lines in the sunspot spectrum might cause doubts on the detection itself. The above problem is investigated here in detail with a choice on photospheric and sunspot models and micro-turbulence valu...

Sinha, K

2014-01-01T23:59:59.000Z

226

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

227

Single molecule tracking of heterogeneous diffusion  

Science Journals Connector (OSTI)

The mean square displacement of heterogeneous diffusion obeys the Einstein relation, thereby showing no sign of heterogeneities in the ensemble measurement of the diffusion constant. The signature of spatial heterogeneities appears in the time evolution of the non-Gaussian distribution and in the cross correlation between the square displacements at different times, both available from single molecule diffusional trajectories. As a quantitative measure, the non-Gaussian indicator g(t) decays asymptotically to zero according to 1/t for finite time correlation, but saturates at a plateau value for power-law correlation. In addition, the joint moment correlation function f(t,?) provides a direct probe of the memory effect of the fluctuating rate constant. A two-state diffusion model and a stochastic Gaussian model are constructed to evaluate these quantities and are shown to yield the same result within the second cumulant expansion.

Jianshu Cao

2001-03-16T23:59:59.000Z

228

Axion dark matter detection with cold molecules  

Science Journals Connector (OSTI)

Current techniques cannot detect axion dark matter over much of its parameter space, particularly in the theoretically well-motivated region where the axion decay constant fa lies near the grand unified theory (GUT) and Planck scales. We suggest a novel experimental method to search for QCD axion dark matter in this region. The axion field oscillates at a frequency equal to its mass when it is a component of dark matter. These oscillations induce time varying CP-odd nuclear moments, such as electric dipole and Schiff moments. The coupling between internal atomic fields and these nuclear moments gives rise to time varying shifts to atomic energy levels. These effects can be enhanced by using elements with large Schiff moments such as the light Actinides, and states with large spontaneous parity violation, such as molecules in a background electric field. The energy level shift in such a molecule can be ?10-24??eV or larger. While challenging, this energy shift may be observable in a molecular clock configuration with technology presently under development. The detectability of this energy shift is enhanced by the fact that it is a time varying shift whose oscillation frequency is set by fundamental physics, and is therefore independent of the details of the experiment. This signal is most easily observed in the sub-MHz range, allowing detection when fa is ?1016??GeV, and possibly as low as 1015??GeV. A discovery in such an experiment would not only reveal the nature of dark matter and confirm the axion as the solution to the strong CP problem, it would also provide a glimpse of physics at the highest energy scales, far beyond what can be directly probed in the laboratory.

Peter W. Graham and Surjeet Rajendran

2011-09-15T23:59:59.000Z

229

Adulteration of Drugs-of-Abuse Specimens  

Science Journals Connector (OSTI)

Persons abusing drugs attempt to adulterate urine specimens in ... fluid and various detoxifying agents available through the Internet is a common practice. Household chemicals such ... mask drug testing if the c...

Amitava Dasgupta

2005-01-01T23:59:59.000Z

230

Vetting Threats To Safe Drug Supplies  

Science Journals Connector (OSTI)

Vetting Threats To Safe Drug Supplies ... Representatives from government, drug companies, and national and international law enforcement agencies struggled to characterize what all agree is a large, growing, and frustratingly nebulous threat to public health and safety. ...

RICK MULLIN

2012-04-01T23:59:59.000Z

231

Prostate drug Proscar cleared for marketing  

Science Journals Connector (OSTI)

Prostate drug Proscar cleared for marketing ... The Food & Drug Administration has approved marketing of a pill developed by Merck & Co., Rahway, N.J., as an alternative to surgery for treating enlargement of the prostate gland. ...

STEPHEN STINSON

1992-06-29T23:59:59.000Z

232

Dissecting Single-Molecule Signal Transduction in Carbon Nanotube Circuits with Protein Engineering  

E-Print Network (OSTI)

Dissecting Single-Molecule Signal Transduction in Carbon Nanotube Circuits with Protein Engineering Supporting Information ABSTRACT: Single-molecule experimental methods have provided new insights measurements. A novel, non uorescent single-molecule technique involves attaching single molecules to single

Weiss, Gregory A.

233

Protein-Based Nanomedicine Platforms for Drug Delivery. | EMSL  

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

Protein-Based Nanomedicine Platforms for Drug Delivery. Protein-Based Nanomedicine Platforms for Drug Delivery. Abstract: Drug delivery systems have been developed for many years,...

234

The pipeline and future of drug development in schizophrenia  

E-Print Network (OSTI)

The Pipeline and Future of Drug Development in SchizophreniaThe Drug Discovery Pipeline in Schizophrenia Keywords:discuss the current pipeline of drugs for schizophrenia,

Gray, J A; Roth, B L

2007-01-01T23:59:59.000Z

235

Intergrated Drug Testing System, PIA, Bechtel Jacobs C ompany...  

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

Intergrated Drug Testing System, PIA, Bechtel Jacobs C ompany, LLC Intergrated Drug Testing System, PIA, Bechtel Jacobs C ompany, LLC Intergrated Drug Testing System, PIA, Bechtel...

236

Shedding Light on Protein Drug Interactions | Advanced Photon Source  

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

Science Highlights Archives: 2013 | 2012 | 2011 | 2010 Science Highlights Archives: 2013 | 2012 | 2011 | 2010 2009 | 2008 | 2007 | 2006 2005 | 2004 | 2003 | 2002 2001 | 2000 | 1998 | Subscribe to APS Science Highlights rss feed Shedding Light on Protein Drug Interactions JANUARY 23, 2008 Bookmark and Share In this e-coli cell, the proteins (shown in blue) crowd around ribosomes (purple). These regions have a high concentration of protein, typically greater than 30 percent, which limits the ensemble of states into which the proteins can bend themselves. Download hi-res image.) Proteins, the biological molecules that are involved in virtually every action of every organism, may themselves move in surprising ways, according to a recent study carried out at the Biophysics Collaborative Access Team x-ray beamline 18-ID at the Advanced Photon Source, a national user

237

Origin of subdiffusion of water molecules on cell membrane surfaces  

E-Print Network (OSTI)

Water molecules play an important role in providing unique environments for biological reactions on cell membranes. It is widely believed that water molecules form bridges that connect lipid molecules and stabilize cell membranes. Using all-atom molecular dynamics simulations, we show that translational and rotational diffusion of water molecules on lipid membrane surfaces exhibit subdiffusion. Moreover, we provide evidence that both divergent mean trapping time (continuous-time random walk) and long-correlated noise (fractional Brownian motion) contribute to this subdiffusion. These results suggest that subdiffusion on cell membranes causes the water retardation, an enhancement of cell membrane stability, and a higher reaction efficiency.

Yamamoto, Eiji; Yasui, Masato; Yasuoka, Kenji

2014-01-01T23:59:59.000Z

238

How many water molecules can be detected by protein crystallography?  

Science Journals Connector (OSTI)

The number of water molecules which are expected to be experimentally located by protein crystallography is determined by analysis of known protein crystal structures.

Carugo, O.

1999-02-01T23:59:59.000Z

239

The photodissociation and reaction dynamics of vibrationally excited molecules  

SciTech Connect

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

240

Los Alamos scientists detect and track single molecules with...  

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

Nanotube "glowsticks" transform surface science tool kit Los Alamos scientists detect and track single molecules with nanoscale carbon cylinders Researchers have now shown that...

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

A Discrete Algorithm for Crystal Structure Prediction of Organic Molecules  

Science Journals Connector (OSTI)

The main features of the new algorithm are analysis of the molecule, discretization of the space, statistical atom-pair functions and clustering due to a similarity index.

Hofmann, D.W.M.

1997-03-01T23:59:59.000Z

242

Manipulating transport through a single-molecule junction  

SciTech Connect

Molecular Electronics deals with the realization of elementary electronic devices that rely on a single molecule. For electronic applications, the most important property of a single molecule is its conductance. Here we show how the conductance of a single octanethiol molecule can be measured and manipulated by varying the contact's interspace. This mechanical gating of the single molecule junction leads to a variation of the conductance that can be understood in terms of a tunable image charge effect. The image charge effect increases with a decrease of the contact's interspace due to a reduction of the effective potential barrier height of 1.5 meV/pm.

Sotthewes, Kai; Heimbuch, René; Zandvliet, Harold J. W. [Physics of Interfaces and Nanomaterials, MESA Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500AE Enschede (Netherlands)] [Physics of Interfaces and Nanomaterials, MESA Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500AE Enschede (Netherlands)

2013-12-07T23:59:59.000Z

243

Efficient Monte Carlo Simulations of Gas Molecules Inside Porous...  

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

work, we discuss various optimization strategies that lead to faster MC simulations with CO2 gas molecules inside host zeolite structures used as a test system. The reciprocal...

244

Observing single molecule chemical reactions on metal nanoparticles.  

SciTech Connect

We report the study of the photodecomposition of single Rhodamine 6G (R6G) dye molecules adsorbed on silver nanoparticles. The nanoparticles were immobilized and spatially isolated on polylysine-derivatized glass coverslips, and confocal laser microspectroscopy was used to obtain surface-enhanced Raman scattering (SERS) spectra from individual R6G molecules. The photodecomposition of these molecules was observed with 150-ms temporal resolution. The photoproduct was identified as graphitic carbon based on the appearance of broad SERS vibrational bands at 1592 cm{sup -1} and 1340 cm{sup -1} observed in both bulk and averaged single-molecule photoproduct spectra. In contrast, when observed at the single-molecule level, the photoproduct yielded sharp SERS spectra. The inhomogeneous broadening of the bulk SERS spectra is due to a variety of photoproducts in different surface orientations and is a characteristic of ensemble-averaged measurements of disordered systems. These single-molecule studies indicate a photodecomposition pathway by which the R6G molecule desorbs from the metal surface, an excited-state photoreaction occurs, and the R6G photoproduct(s) readsorbs to the surface. A SERS spectrum is obtained when either the intact R6G or the R6G photoproduct(s) are adsorbed on a SERS-active site. This work further illustrates the power of single-molecule spectroscopy (SMS) to reveal unique behaviors of single molecules that are not discernable with bulk measurements.

Emory, S. R. (Steven R.); Ambrose, W. Patrick; Goodwin, P. M. (Peter M); Keller, Richard A.

2001-01-01T23:59:59.000Z

245

Atoms in molecules: beyond Born–Oppenheimer paradigm  

Science Journals Connector (OSTI)

This contribution presents the first atoms in molecules study that goes beyond the Born–Oppenheimer paradigm employing the newly developed two-component...

Mohammad Goli; Shant Shahbazian

2011-05-01T23:59:59.000Z

246

Single molecule fluorescence in rectangular nano-apertures  

Science Journals Connector (OSTI)

Fluorescence Correlation Spectroscopy is used to investigate fluorescent molecules in solution diffusing in subwavelength rectangular apertures milled in Aluminium films. This...

Wenger, Jérôme; Lenne, Pierre-François; Popov, Evgueni; Rigneault, Hervé; Dintinger, José; Ebbesen, Thomas

2005-01-01T23:59:59.000Z

247

Single-molecule orientation measurements with a quadrated pupil  

Science Journals Connector (OSTI)

This Letter presents a means of measuring the dipole orientation of a fluorescent, orientationally fixed single molecule, which uses a specially designed phase mask, termed a...

Backer, Adam S; Backlund, Mikael P; Lew, Matthew D; Moerner, W E

2013-01-01T23:59:59.000Z

248

Single molecule study of weak and transient biological interactions.  

E-Print Network (OSTI)

??Over the past decade, major breakthroughs were led in molecular biology with techniques allowing the study of dynamics at the resolution of an individual molecule.… (more)

Cisse, Ibrahim

2010-01-01T23:59:59.000Z

249

Single-Molecule Biophysical Imaging, Nanophotonics and Trapping  

Science Journals Connector (OSTI)

Single-molecule fluorescence imaging provides a powerful tool to explore individual biophysical systems, even in cells. Metallic nanoantennas improve the interaction between light and...

Moerner, W E

250

Clay Nanoparticle-Supported Single-Molecule Fluorescence Spectroelectrochemistry  

SciTech Connect

We report single-molecule fluorescence spectroelectrochemistry on a clay-modified ITO electrode using cresyl violet as a redox fluorescent probe. Ensemble averaged experiments show that cresyl violet displays well-defined cyclic voltammograms when adsorbed on the clay-modified electrode. By probing the fluorescence intensity of a single cresyl violet molecule absorbed on clay surface, we can trace the redox reaction of individual molecules induced by the cyclic voltammetric potential scanning. Inhomogeneous interfacial electron transfer dynamics of the immobilized single cresyl violet molecules on the clay-modified surface were observed.

Lei, Chenghong; Hu, Dehong; Ackerman, Eric J.

2009-02-11T23:59:59.000Z

251

Drugs: A tangled web of targets  

Science Journals Connector (OSTI)

... was a good year. The US Food and Drug Administration (FDA) had just approved memantine, the first in a class of drugs that reduces abnormal brain activity. Scientists had ... based on each, and the field seemed to be moving in the right direction. Memantine is one of several drugs on the market in Europe and the United States that ...

Lauren Gravitz

2011-07-13T23:59:59.000Z

252

Iontophoretic drug delivery system: A review  

Science Journals Connector (OSTI)

Among the recent developments in the field of transdermal drug delivery, iontophoresis has emerged as a very promising tool for this purpose. Various studies have been performed on drug delivery through the skin using electric current. Iontophoresis ... Keywords: Iontophoresis, iontophoretic systems, transdermal drug delivery

Ajay Semalty; Mona Semalty; Ranjit Singh; Shailendra K. Saraf; Shubhini Saraf

2007-09-01T23:59:59.000Z

253

Thermodynamics of excitonic molecules in silicon  

Science Journals Connector (OSTI)

The first spatially controlled thermodynamic measurements of a system of free excitons (FE) and excitonic molecules (EM) are reported. Both excitonic phases are confined to Gaussian spatial distributions in a strain-induced potential well. This parabolic well affords a simple analytic description of the thermal expansion of the gases. Recombination emission from the ultrapure Si is detected with spatial, spectral, and time resolution over the temperature range 3.5-10 K. The system is well described by a chemical equilibrium between two ideal gases at the lattice temperature: we observe the quadratic dependence of the EM density on the FE density and the expected form of thermal activation. In addition, the EM-FE thermalization time is found to be much less than the recombination times. The thermodynamically determined binding energy, ?EMt=1.53±0.10 meV, is in excellent agreement with our measured spectroscopic value ?EMs=1.46±0.09 meV. These values are several times larger than the most recent theoretical estimates.

P. L. Gourley and J. P. Wolfe

1979-10-15T23:59:59.000Z

254

Single molecule pulling with large time steps  

Science Journals Connector (OSTI)

Recently, we presented a generalization of the Jarzynski nonequilibrium work theorem for phase space mappings. The formalism shows that one can determine free energy differences from approximate trajectories obtained from molecular dynamics simulations in which very large time steps are used. In this work we test the method by simulating the force-induced unfolding of a deca-alanine helix in vacuum. The excellent agreement between results obtained with a small, conservative time step of 0.5fs and results obtained with a time step of 3.2fs (i.e., close to the stability limit) indicates that the large-time-step approach is practical for such complex biomolecules. We further adapt the method of Hummer and Szabo for the simulation of single molecule force spectroscopy experiments to the large-time-step method. While trajectories generated with large steps are approximate and may be unphysical—in the simulations presented here we observe a violation of the equipartition theorem—the computed free energies are exact in principle. In terms of efficiency, the optimum time step for the unfolding simulations lies in the range 1–3fs.

Harald Oberhofer; Christoph Dellago; Stefan Boresch

2007-06-06T23:59:59.000Z

255

Quick-Change Molecules Caught in the Act | Advanced Photon Source  

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

The Molecular Mechanics of Hearing and Deafness The Molecular Mechanics of Hearing and Deafness Cementing the Structure of CSHs Self- and X-ray-Induced Crystallization of Supramolecular Filaments An Anti-Cancer Drug that Stunts Tumor Growth Metallic Glass Yields Secrets under Pressure Science Highlights Archives: 2013 | 2012 | 2011 | 2010 2009 | 2008 | 2007 | 2006 2005 | 2004 | 2003 | 2002 2001 | 2000 | 1998 | Subscribe to APS Science Highlights rss feed Quick-Change Molecules Caught in the Act MAY 28, 2010 Bookmark and Share Structure change upon release of CO from myoglobin active site: Intensity of scattered X-rays as a function of distance from the center of the scattering pattern, for increasing intervals between laser and x-ray pulses. The shortest interval is at the top of the graph. The leftmost

256

Spectroscopic probes of vibrationally excited molecules at chemically significant energies  

SciTech Connect

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

257

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

258

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

259

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

260

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

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

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

262

Single-molecule Fluorescence Spectroelectrochemistry of Cresyl Violet  

SciTech Connect

We coupled scanning fluorescence microscopy with a potentiostat via a three-electrode electrochemical cell to enable single-molecule fluorescence spectroelectrochemistry of cresyl violet in aqueous solution, where the single-molecule fluorescence intensity of cresyl violet is modulated synchronously with the cyclic voltammetric potential scanning.

Lei, Chenghong; Hu, Dehong; Ackerman, Eric J.

2008-11-21T23:59:59.000Z

263

Single-molecule orientational wave packet in ultrafast optical polarization  

SciTech Connect

The explicit derivation of the ultrafast optical polarization of a single molecule is presented. It is shown that an orientational wave packet carried by the excited molecular electron can provide a sharp definition for the space configuration of the laser-molecule interaction.

Mainos, C. [Laboratoire de Physique des Lasers, Universite Paris 13 Av. J.B. Clement, 93430 Villetaneuse (France)

2006-09-15T23:59:59.000Z

264

Vibration?Rotation Spectroscopy of Molecules Trapped inside C60  

Science Journals Connector (OSTI)

The remaining six degrees of freedom correspond to the vibrations and rotations of the diatomic molecule and the rattling vibration of the molecule inside the cage. ... The vibrational frequency and the rotational constant are slightly different. ... Dimerization of I mediated by 4-aminopyridine in a high-speed vibrating mill yields the cyclobutane-contg. ...

R. James Cross

2008-07-04T23:59:59.000Z

265

A test of crystal structure prediction of small organic molecules  

Science Journals Connector (OSTI)

The results are reported of a blind test of crystal structure prediction of four organic molecules using the principal computer programs currently available. Successful predictions for all four molecules were obtained using calculated lattice energy, but no program was successful in all cases.

Lommerse, J.P.M.

2000-08-01T23:59:59.000Z

266

Influence of conformational changes in complex molecules on photon statistics of single molecule fluorescence  

SciTech Connect

A single complex molecule with conformational changes (conformations 0 and 2) is considered. When such a molecule is irradiated by cw-laser light it can randomly change the intensity or polarization of its fluorescence due to jumps from one conformation to another. In fact, the molecule manifests itself either like the 0-type or the 2-type emitter. An expression for the matrix s{sub {alpha}{beta}}(t) called the start-stop correlator (waiting time distribution) in which {alpha}=0,2 and {beta}=0,2 is derived. An expression for the matrix p{sub {alpha}{beta}}(t) called the full correlator is derived as well. It determines the density of the probability of finding an event of {alpha} type and an event of {beta} type separated by time interval t. A relation between matrices s{sub {alpha}{beta}}(t) and p{sub {alpha}{beta}}(t) is found. A mathematical expression for the distribution w{sub N}(T) of events measured in time interval T is derived. It is expressed solely via the matrix s{sub {alpha}{beta}}(t). Numerical calculations of the event distribution function for various rates of intra- and interconformational jumps are carried out with the help of the formula for w{sub N}(T) and by the Monte Carlo method. Both methods of the calculation yield identical distributions. Fluctuating fluorescence intensity I(t) for a bin time of 5 ms is calculated for slow and fast interconformational jumps. A relation is found between the autocorrelation function g{sup (2)}(t) of fluorescence measurable in experiments and the matrix p{sub {alpha}{beta}}(t) calculated theoretically.

Osad'ko, I. S. [Institute of Spectroscopy Russian Academy of Sciences (RAS), 142190 Troitsk, Moscow Region (Russian Federation); Moscow Pedagogical State University, 119991 Moscow (Russian Federation); Fedyanin, V. V. [Moscow Pedagogical State University, 119991 Moscow (Russian Federation)

2011-06-15T23:59:59.000Z

267

Abstract 4479: Influence of the blood-brain barrier on drug distribution and efficacy of PI3K/mTOR inhibitors  

Science Journals Connector (OSTI)

...Abstract 4479: Influence of the blood-brain barrier on drug distribution and efficacy...is influenced by the presence of blood-brain barrier (BBB). PI3K/mTOR/AKT is...with the former molecule optimized for brain delivery. Here the influence of the BBB...

Rajneet K. Oberoi; William F. Elmquist; Rajendar Mittapalli; Jenny Pokorny; Jann Sarkaria

2014-10-01T23:59:59.000Z

268

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

E-Print Network (OSTI)

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

Caflisch, Amedeo

269

Chapter 4 - Regulators of G Protein Signaling Proteins as Targets for Drug Discovery  

Science Journals Connector (OSTI)

Signaling via G-protein-coupled receptors (GPCRs) is central for the function of biological systems. Many clinically used drugs target \\{GPCRs\\} directly or target molecules involved in GPCR signaling. As an alternative to targeting receptors directly, one could modulate signaling cascades downstream of receptor activation. In recent years, there has been substantial interest in a family of proteins called regulators of G protein signaling (RGS) proteins. They modulate GPCR signaling by accelerating GTP hydrolysis on active G? subunits, thereby reducing the amplitude and duration of signaling. Modulating RGS activity would be a useful strategy to control GPCR signaling. An RGS inhibitor would be expected to enhance GPCR signaling and could do so in a tissue- or pathway-specific manner. Apart from the central GAP (GTPase accelerating protein) activity, many RGS proteins also have other functions like regulating protein–protein interactions, subcellular localization of signaling molecules, and protein translation. It is clear that these proteins serve important functions in a number of physiological and pathophysiological processes, and they are emerging as potential drug targets. This chapter gives an overview of what is currently known about biological functions of RGS proteins based on in vivo and in vitro data. We also summarize the current status in targeting RGS proteins in drug discovery.

Benita Sjögren; Levi L. Blazer; Richard R. Neubig

2010-01-01T23:59:59.000Z

270

Neuroimaging for drug addiction and related behaviors  

SciTech Connect

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

271

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

Science Journals Connector (OSTI)

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

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

2013-11-01T23:59:59.000Z

272

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

273

QSPR with extended topochemical atom (ETA) indices. 4. Modeling aqueous solubility of drug like molecules and agrochemicals following OECD guidelines  

Science Journals Connector (OSTI)

Aqueous solubility is the property of utmost interest for predicting the behavior of chemical compounds inside body, since water serves as the most ubiquitous component of any living cell. Predictive quantitat...

Rudra Narayan Das; Kunal Roy

2013-02-01T23:59:59.000Z

274

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

SciTech Connect

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

275

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

276

GERMAN REFORMS AFFECT DRUG R&D  

Science Journals Connector (OSTI)

Under the national health care system, insurers pay for consumers' prescription drugs and get a 6% rebate from manufacturers to help contain costs; the remainder ... ...

PATRICIA SHORT

2003-09-01T23:59:59.000Z

277

Was Sherlock Holmes a Drug Addict?  

Science Journals Connector (OSTI)

... AN occasional correspondent contributes an amusing article to The Lancet of December 26 entitled “Was Sherlock Holmes a Drug Addict?”, as his friend Dr. Watson ...

1937-01-02T23:59:59.000Z

278

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

279

Mexico’s “ley de narcomenudeo” drug policy reform and the international drug control regime  

Science Journals Connector (OSTI)

It has been over half a century since the landmark Single Convention on Narcotic Drugs was adopted, for the first time unifying international drug policy under a single treaty aimed at limiting use, manufacture, ...

Tim K Mackey; Daniel Werb; Leo Beletsky; Gudelia Rangel…

2014-11-01T23:59:59.000Z

280

Intramolecular Nuclear Fusion in Hydrogen-Isotope Molecules  

Science Journals Connector (OSTI)

...Copyright (c) 1989 Progress of Theoretical Physics August 1989 research-article Articles Intramolecular Nuclear Fusion in Hydrogen-Isotope Molecules Isao Shimamura The Institute of Physical and Chemical Research, Hirosawa, Wako 351-01......

Isao Shimamura

1989-08-01T23:59:59.000Z

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.


281

De Novo DNA Synthesis Using Single-Molecule PCR  

Science Journals Connector (OSTI)

The broad availability of synthetic DNA oligonucleotides enabled the development of many powerful applications in biotechnology. Longer synthetic DNA molecules and libraries (generated from assembly of...1–7). Th...

Tuval Ben Yehezkel; Gregory Linshiz; Ehud Shapiro

2012-01-01T23:59:59.000Z

282

Sub-Kelvin scanning tunneling microscopy on magnetic molecules.  

E-Print Network (OSTI)

??Magnetic molecules have attracted lots interest. In this work, an ultra-stable and low noise scanning tunneling microscopy operating at 400 mK using He-3 (930 mK… (more)

Zhang, Lei

2012-01-01T23:59:59.000Z

283

Monitoring Single-Molecule Reactivity on a Carbon Nanotube  

E-Print Network (OSTI)

measurements and simultaneously illuminating additional dynamics, these results demonstrate this platform as ultrasen- sitive chemical and biological sensors. For example, by tailoring the surface chemistry of tools for investigating complex chemical processes. Single-molecule chemical detection has been

Weiss, Gregory A.

284

Adhesion Molecule-Mediated Hippo Pathway Modulates Hemangioendothelioma Cell Behavior  

Science Journals Connector (OSTI)

...endothelial cell adhesion molecules in brain microvascular endothelial cell proliferation...pathway parameters, comparing wild-type brain microvascular endothelial cells (7, 8...Wisconsin, Madison, WI) (6, 9). Brain endothelial cells (BEC) were isolated...

Masayuki Tsuneki; Joseph A. Madri

2014-09-29T23:59:59.000Z

285

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

286

An All-Electric Single-Molecule Motor  

Science Journals Connector (OSTI)

An All-Electric Single-Molecule Motor ... Many types of molecular motors have been proposed and synthesized in recent years, displaying different kinds of motion, and fueled by different driving forces such as light, heat, or chemical reactions. ...

Johannes S. Seldenthuis; Ferry Prins; Joseph M. Thijssen; Herre S. J. van der Zant

2010-10-11T23:59:59.000Z

287

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

288

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

289

Decelerating and bunching molecules with pulsed traveling optical lattices  

SciTech Connect

We investigate the deceleration and bunching of cold molecules in a pulsed supersonic jet using a far-off-resonant optical lattice traveling with a constant velocity. Using an analytical treatment, we show that by choosing the lattice velocity equal to half the supersonic beam velocity and by optimizing the pulse duration, a significant fraction ({approx}33%) of translationally cold (1 K) CO molecules from a supersonic molecular beam can be decelerated to zero velocity, and simultaneously bunched in velocity space. Due to the large difference of polarizability to mass ratio between the buffer gas and the CO molecules in the pulsed jet, the buffer gas can be precluded from the fraction of stationary molecules by choosing a suitable pulse duration. Furthermore, we find that spatial bunching within the optical lattice is induced and the position of the bunch within the lattice can be chosen by varying the lattice velocity.

Dong Guangjiong; Lu Weiping; Barker, P.F. [Department of Physics, School of Engineering Physical Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom)

2004-01-01T23:59:59.000Z

290

Coil?Stretch Transition of DNA Molecules in Slitlike Confinement  

E-Print Network (OSTI)

We experimentally investigate the influence of slitlike confinement on the coil?stretch transition of single DNA molecules in a homogeneous planar elongational electric field. We observe a more gradual coil?stretch transition ...

Tang, Jing

291

Interfacial processes in small molecule organic solar cells  

Science Journals Connector (OSTI)

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

WenBin Li; QunLiang Song; XiaoYu Sun…

2010-02-01T23:59:59.000Z

292

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

293

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

294

On the Born-Oppenheimer expansion for polyatomic molecules  

Science Journals Connector (OSTI)

We consider the Schrödinger operatorP(h) for a polyatomic molecule in the semiclassical limit where the mass ratioh 2 of electronic to nuclear mass tends to zero. We obtain WKB-type expansions of ...

M. Klein; A. Martinez; R. Seiler; X. P. Wang

295

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

296

Engineering small molecule specificity in nearly identical cellular environments  

E-Print Network (OSTI)

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

Wandless, Tom

297

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

298

Shining Light on the Fleeting Interactions of Single Molecules...  

Office of Science (SC) Website

encounter events is not easy due to the perpetual thermal agitation of the surrounding water molecules, and nanometer-sized biomolecules quickly diffuse out of the field-of-view...

299

Evidence of natural isotopic distribution from single-molecule SERS  

E-Print Network (OSTI)

We report on the observation of the natural isotopic spread of carbon from single-molecule Surface Enhanced Raman Spectroscopy (SM-SERS). By choosing a dye molecule with a very localized Raman active vibration in a cyano bond (C$\\equiv$N triple bond), we observe (in a SERS colloidal liquid) a small fraction of SM-SERS events where the frequency of the cyano mode is softened and in agreement with the effect of substituting $^{12}$C by the next most abundant $^{13}$C isotope. This example adds another demonstration of single molecule sensitivity in SERS through isotopic editing which is done, in this case, not by artificial isotopic editing but rather by nature itself. It also highlights SERS as a unique spectroscopic tool, capable of detecting an isotopic change in one atom of a single molecule.

P. G. Etchegoin; E. C. Le Ru; M. Meyer

2008-11-03T23:59:59.000Z

300

Tools for Single-Molecule Sequence Detection and Manipulation.  

E-Print Network (OSTI)

??The ability to strongly and sequence-specifically attach modifications such as fluorophores and haptens to double-stranded DNA is critical to a variety of single-molecule experiments. We… (more)

Zohar, Hagar

2011-01-01T23:59:59.000Z

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.


301

Modifying molecule-surface scattering by ultrashort laser pulses  

SciTech Connect

In recent years it has become possible to align molecules in free space using ultrashort laser pulses. Here we explore two schemes for controlling molecule-surface scattering processes and which are based on laser-induced molecular alignment. In the first scheme, a single ultrashort nonresonant laser pulse is applied to a molecular beam hitting the surface. This pulse modifies the angular distribution of the incident molecules and causes the scattered molecules to rotate with a preferred sense of rotation (clockwise or counterclockwise). In the second scheme, two properly delayed laser pulses are applied to a molecular beam composed of two chemically close molecular species (isotopes, or nuclear-spin isomers). As the result of the double-pulse excitation, these species are selectively scattered to different angles after the collision with the surface. These effects may provide new means for the analysis and separation of molecular mixtures.

Khodorkovsky, Yuri; Averbukh, Ilya Sh. [Department of Chemical Physics, Weizmann Institute of Science, Rehovot 76100 (Israel); Manson, J. R. [Department of Physics and Astronomy, Clemson University, Clemson, South Carolina 29634 (United States)

2011-11-15T23:59:59.000Z

302

Nonperturbative method of electron transfer via a midway molecule  

Science Journals Connector (OSTI)

In the theory of Sumi and Kakitani on electron transfer (ET) via a midway molecule, the overall ET was formulated using the second-order perturbation method and phenomenologically incorporating the renormalization factor in the intermediate state to escape from the divergence of the rate. In this Letter, we developed a nonperturbative theory of the ET via a midway molecule and we have succeeded in naturally deriving the above renormalization factor under certain approximations.

A. Kimura; T. Kakitani

1998-01-01T23:59:59.000Z

303

Single-Molecule Rupture Dynamics on Multidimensional Landscapes  

Science Journals Connector (OSTI)

We explore emergent effects of multidimensionality of the free energy landscape on single-molecule kinetics under constant force. The proposed minimal model reveals the existence of a spectrum of unusual scenarios for the force-dependent lifetime, all of which are shown to occur on a free energy landscape with a single transition state. We present an analytical solution that governs single-molecule responses to a constant force and relates them to microscopic parameters of the system.

Yohichi Suzuki and Olga K. Dudko

2010-01-25T23:59:59.000Z

304

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

SciTech Connect

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

305

Asymptotic behavior of subradiant states in homonuclear diatomic molecules  

E-Print Network (OSTI)

Weakly bound molecules have physical properties without atomic analogues, even as the bond length approaches dissociation. In particular, the internal symmetries of homonuclear diatomic molecules result in the formation of two-body superradiant and subradiant excited states. While superradiance has been demonstrated in a variety of systems, subradiance is more elusive due to the inherently weak interaction with the environment. Transition mechanisms that are strictly forbidden for atoms become allowed just below the dissociation asymptote due to new selection rules associated with the subradiant states. Here we directly probe deeply subradiant states in ultracold diatomic strontium molecules and characterize their properties near the intercombination atomic asymptote via optical spectroscopy of doubly-forbidden transitions with intrinsic quality factors exceeding 10^(13). This precision measurement of subradiance is made possible by tightly trapping the molecules in a state-insensitive optical lattice and achieving the longest molecule-light coherent interaction times. We find that two competing effects limit the lifetimes of the subradiant molecules, with different asymptotic behaviors. The first is radiative decay via magnetic-dipole and electric-quadrupole interactions. We prove that its rate increases quadratically with the bond length, confirming quantum mechanical predictions. The second is nonradiative decay through weak gyroscopic predissociation, with a rate proportional to the vibrational mode spacing and sensitive to short-range physics. This work bridges the gap between atomic and molecular metrology based on lattice-clock techniques, yielding some of the most accurate understanding of long-range interatomic interactions.

Bart H. McGuyer; Mickey McDonald; Geoffrey Z. Iwata; Marco G. Tarallo; Wojciech Skomorowski; Robert Moszynski; Tanya Zelevinsky

2014-07-17T23:59:59.000Z

306

Methods And Devices For Characterizing Duplex Nucleic Acid Molecules  

DOE Patents (OSTI)

Methods and devices are provided for characterizing a duplex nucleic acid, e.g., a duplex DNA molecule. In the subject methods, a fluid conducting medium that includes a duplex nucleic acid molecule is contacted with a nanopore under the influence of an applied electric field and the resulting changes in current through the nanopore caused by the duplex nucleic acid molecule are monitored. The observed changes in current through the nanopore are then employed as a set of data values to characterize the duplex nucleic acid, where the set of data values may be employed in raw form or manipulated, e.g., into a current blockade profile. Also provided are nanopore devices for practicing the subject methods, where the subject nanopore devices are characterized by the presence of an algorithm which directs a processing means to employ monitored changes in current through a nanopore to characterize a duplex nucleic acid molecule responsible for the current changes. The subject methods and devices find use in a variety of applications, including, among other applications, the identification of an analyte duplex DNA molecule in a sample, the specific base sequence at a single nulceotide polymorphism (SNP), and the sequencing of duplex DNA molecules.

Akeson, Mark (Santa Cruz, CA); Vercoutere, Wenonah (Santa Cruz, CA); Haussler, David (Santa Cruz, CA); Winters-Hilt, Stephen (Santa Cruz, CA)

2005-08-30T23:59:59.000Z

307

Temporary blood?brain barrier disruption via focused ultrasound for targeted drug delivery in the brain  

Science Journals Connector (OSTI)

The ability to deliver drugs to the central nervous system is severely limited by the presence of the blood?brain barrier (BBB). This barrier normally serves to protect the brain and restricts the passage of most molecules from being delivered to the brain tissue from the blood stream. We have developed a method by which the BBB is temporarily disrupted in localized regions using low?power ultrasound pulses combined with a circulating ultrasound contrast agent. By systematically focusing at multiple overlapping locations one could prescribe the region in which the BBB is disrupted to conform to a desired target volume reducing drug penetration to the rest of the brain.Ultrasound parameters suited for this procedure are compatible with a device that can focus through the intact skull. In this presentation we will describe recent research on this technique discussing methodology safety possible mechanisms and potential means to guide and monitor the procedure.

Nathan McDannold

2007-01-01T23:59:59.000Z

308

Network predicting drug's anatomical therapeutic chemical code  

Science Journals Connector (OSTI)

......validated on four drug datasets with various target...couple receptors and nuclear receptors. We found...well-collected drug datasets, the ATC-code assignments...For example, the dataset in Yamanishi et al...receptors (GPCRs) and nuclear receptors (NRs......

Yong-Cui Wang; Shi-Long Chen; Nai-Yang Deng; Yong Wang

2013-05-15T23:59:59.000Z

309

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

310

Single molecule kinetics. I. Theoretical analysis of indicators James B. Witkoskie and Jianshu Cao  

E-Print Network (OSTI)

Single molecule kinetics. I. Theoretical analysis of indicators James B. Witkoskie and Jianshu Cao February 2004; accepted 2 July 2004 Single molecule experiments reveal intriguing phenomenon in chemical for single molecule experiments and demonstrates the relationships between indicators. Under certain

Cao, Jianshu

311

Single-molecule magnets assembled from oxime stabilized Mn?III triangles  

E-Print Network (OSTI)

tunneling in the single- molecule magnet Mn-12-acetate.and Brechin, E. K. , A Single-Molecule Magnet with a "Twist"Anisotropy Barrier for a Single- Molecule Magnet, Journal of

Stephenson, Casey Justin

2009-01-01T23:59:59.000Z

312

Slowing down single-molecule trafficking through a protein nanopore reveals intermediates for peptide translocation  

E-Print Network (OSTI)

L. -Q. & Shim, J. W. Single molecule sensing by nanoporesusing nanopore-based single-molecule mass spectrometry.L. et al. Slowing down single-molecule trafficking through a

2014-01-01T23:59:59.000Z

313

In Vivo Imaging of Single-Molecule Translocation Through Nuclear Pore Complexes by Pair Correlation Functions  

E-Print Network (OSTI)

SM (2004) Imaging of single-molecule translocation throughNuclear transport of single molecules: dwell times at theMusser SM (2008) Single-molecule measurements of importin

Cardarelli, Francesco; Gratton, Enrico

2010-01-01T23:59:59.000Z

314

Q&A: Single-molecule localization microscopy for biological imaging  

E-Print Network (OSTI)

AL, et al. : Q&A: Single-molecule localization microscopyimaging using single-molecule localization. Annu Rev PhysJ: High-density mapping of single-molecule trajectories with

McEvoy, Ann L; Greenfield, Derek; Bates, Mark; Liphardt, Jan

2010-01-01T23:59:59.000Z

315

Role of water molecules in the structure and function of aspartic proteinases  

Science Journals Connector (OSTI)

Conserved water molecules in the crystal structures of aspartic proteinases have been identified. Possible roles of these water molecules in the enzyme's structure and function have been analyzed.

Prasad, B.V.L.S.

2002-01-24T23:59:59.000Z

316

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

317

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

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

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

318

Single-Molecule Triplet-State Photon Antibunching at Room Temperature...  

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

Molecule Triplet-State Photon Antibunching at Room Temperature. Single-Molecule Triplet-State Photon Antibunching at Room Temperature. Abstract: We have demonstrated probing...

319

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

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

Technologies and Information Sciences 6 In Honor of W.E. Moerner: Confining Molecules for Single-Molecule Spectroscopy Summary: , response to mechanical stresses, binding...

320

Single Molecule Chiroptical Spectroscopy: Fluorescence Excitation Circular Dichroism and Circular Polarized Luminescence of Bridged Triarylamine Helicenes.  

E-Print Network (OSTI)

??In this thesis, I describe the first exploratory experimental efforts probing light-matter interactions of chiral systems at the single molecule level. The dissymmetric single molecule… (more)

Paradise, Ruthanne Hassey

2009-01-01T23:59:59.000Z

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.


321

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...

322

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

323

Single molecule techniques in DNA repair: A primer  

Science Journals Connector (OSTI)

Abstract A powerful new approach has become much more widespread and offers insights into aspects of DNA repair unattainable with billions of molecules. Single molecule techniques can be used to image, manipulate or characterize the action of a single repair protein on a single strand of DNA. This allows search mechanisms to be probed, and the effects of force to be understood. These physical aspects can dominate a biochemical reaction, where at the ensemble level their nuances are obscured. In this paper we discuss some of the many technical advances that permit study at the single molecule level. We focus on DNA repair to which these techniques are actively being applied. DNA repair is also a process that encompasses so much of what single molecule studies benefit – searching for targets, complex formation, sequential biochemical reactions and substrate hand-off to name just a few. We discuss how single molecule biophysics is poised to transform our understanding of biological systems, in particular DNA repair.

Craig D. Hughes; Michelle Simons; Cassidy E. Mackenzie; Bennett Van Houten; Neil M. Kad

2014-01-01T23:59:59.000Z

324

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

325

Nano compartments may aid drug delivery, catalyst design > Archived...  

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

Nano compartments may aid drug delivery, catalyst design April 18th, 2013 By Bill Steele Spongelike nanoparticles whose pores can be filled with drugs offer the promise of drug...

326

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

NLE Websites -- All DOE Office Websites (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...

327

Optical measurement of drug concentrations in tissue  

SciTech Connect

This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The aim of this project was to develop noninvasive fiber-optic methods for measuring drug concentrations in tissue. Such a system would make possible the study of chemotherapy drug kinetics at specific, targeted locations in the body after the drug is administered. The major result of this project is the development of techniques for measuring changes in absorption of a medium with unknown scattering properties. The developed method was verified by testing on several media with scattering properties in the range typically found for tissue.

Mourant, J.R.; Bigio, I.J.; Jack, D.A.; Johnson, T.M.; Miller, H.D. [Los Alamos National Lab., NM (United States). Chemical Sciences and Technology Div.

1997-10-01T23:59:59.000Z

328

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

329

Single molecule detection using charge-coupled device array technology  

SciTech Connect

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

330

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

331

Spectroscopy and reactions of vibrationally excited transient molecules  

SciTech Connect

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

332

Single-molecule kinetic energy of condensed normal deuterium  

Science Journals Connector (OSTI)

Inelastic scattering of 300-meV neutrons allows the study of the liquid (T=20 and 30 K, saturated vapor pressure) and solid (T=4.2 K, saturated vapor pressure) phases of the normal deuterium mixture (2/3 o-D2+1/3 p-D2) in the region of momentum transfer where a single-molecule response is expected. The spectra are analyzed within the impulse approximation and assuming Gaussian momentum distributions for the translation of the molecules. For the solid, the estimated value of the single-molecule average kinetic energy does not compare unfavorably with those obtained scaling experimental results in parahydrogen solids. In the liquid state, substantial departures seem to exist from the classical liquid behavior, even if up to second-order quantum corrections are taken into account. © 1996 The American Physical Society.

F. J. Mompeán; M. García-Hernández; F. J. Bermejo; S. M. Bennington

1996-07-01T23:59:59.000Z

333

Single-molecule controlled emission in planar plasmonic cavities  

Science Journals Connector (OSTI)

We study the fluorescence emission from single dye molecules in coplanar plasmonic cavities composed of a thin gold film surrounded by two in-plane surface plasmon Bragg mirrors. We first discuss the effect of the presence of Bragg mirrors on the radiation diagram of surface plasmon coupled emission. Then, we investigate the role of the planar cavity size by single-molecule fluorescence lifetime imaging. Experimental data are compared to numerical simulations of the decay rates calculated as a function of the molecule orientation and position within the cavity. The creation of new decay channels by coupling to the cavity modes is also discussed. We measure a plasmonic Purcell factor up to five, attributed to the enhancement of the radiative rate.

S. Derom; A. Bouhelier; A. Kumar; A. Leray; J-C. Weeber; S. Buil; X. Quélin; J. P. Hermier; G. Colas des Francs

2014-01-02T23:59:59.000Z

334

Electron transport through a metal-molecule-metal junction  

Science Journals Connector (OSTI)

Molecules of bisthiolterthiophene have been adsorbed on the two facing gold electrodes of a mechanically controllable break junction in order to form metal-molecule(s)-metal junctions. Current-voltage (I-V) characteristics have been recorded at room temperature. Zero bias conductances were measured in the 10–100 nS range and different kinds of nonlinear I-V curves with steplike features were reproducibly obtained. Switching between different kinds of I-V curves could be induced by varying the distance between the two metallic electrodes. The experimental results are discussed within the framework of tunneling transport models explicitly taking into account the discrete nature of the electronic spectrum of the molecule.

C. Kergueris; J.-P. Bourgoin; S. Palacin; D. Esteve; C. Urbina; M. Magoga; C. Joachim

1999-05-15T23:59:59.000Z

335

Book Review of Handbook of Drug Metabolism. Second Edition  

Science Journals Connector (OSTI)

Book Review of Handbook of Drug Metabolism. ... This book is divided into four sections: Fundamentals, Factors Affecting Drug Metabolism, Technologies, and Applications. ...

Jeffrey P. Jones

2009-06-22T23:59:59.000Z

336

Apoferritin-based nanomedicine platform for drug delivery: equilibrium...  

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

Apoferritin-based nanomedicine platform for drug delivery: equilibrium binding study of daunomycin with DNA. Apoferritin-based nanomedicine platform for drug delivery: equilibrium...

337

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

338

Implementation Guidance, Drug Testing - December 3, 2007 | Department...  

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

Implementation Guidance, Drug Testing - December 3, 2007 Implementation Guidance, Drug Testing - December 3, 2007 December 3, 2007 Implementation guidance for applicants for, and...

339

Secretary Bodman's Memorandum Regarding Drug Testing at DOE ...  

Office of Environmental Management (EM)

Secretary Bodman's Memorandum Regarding Drug Testing at DOE Secretary Bodman's Memorandum Regarding Drug Testing at DOE September 14, 2007 In consideration of the report on the...

340

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… (more)

Garvin, Christopher John

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.


341

Memorandum, Drug Testing at DOE - September 14, 2007 | Department...  

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

on the Consequences of a Positive Drug Test Secretary Bodman's Memorandum Regarding Drug Testing at DOE Environment Worker Health & Safety Nuclear Safety Facility Safety Security...

342

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

NLE Websites -- All DOE Office Websites (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...

343

Mathematical Modeling of HIV-1 Infection and Drug Therapy  

E-Print Network (OSTI)

also discuss how drug treatment affects the emergence of drug resistance during treatment, and how a low level of virus and latently infected cells can persist in.

2008-12-16T23:59:59.000Z

344

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

345

Spectroscopic Investigations of Selected Cyclic and Bicyclic Molecules  

E-Print Network (OSTI)

fluorescence spectroscopy of jet-cooled molecules along with ultraviolet absorption spectroscopy. In recent years the group has investigated a number of bicyclic molecules containing the benzene ring including tetralin7 (TET) and 1,4-benzodioxan8 (14BZD... Description S 0 a S 1 b A? 1 1 C-H sym. stretch 3081 [3047] A? 26 35 Benzene stretch 756 722 2 2 C-H stretch [3072] [3028] 27 37 Benzene ring bend 712 682 3 3 C-H stretch 3060 R [3020] 28 39 Benzene ring bend 588 525 4 4 C...

McCann, Kathleen Rae

2010-10-12T23:59:59.000Z

346

Super-Gaussian mirror for high-field-seeking molecules  

SciTech Connect

A matter wave mirror using a single, pulsed, super-Gaussian (SG) optical beam for specular reflection of neutral ground-state molecules is studied. The mirror has a high reflectivity close to 100% and nearly perfect specular reflection over a large incident angle. This mirror avoids the usual problems due to surface roughness and the van der Waals interactions that occur in conventional atomic mirrors. Further, it is capable of reflectance and transmittance with applications to velocity filtering and deceleration of cold molecules.

Dong Guangjiong; Edvadsson, Sverker [Electronic Division, ITM, Mid Sweden University, 851 70, Sundsvall (Sweden); Lu Weiping; Barker, P.F. [Physics Department, School of Engineering and Physical Science, Heriot-Watt University, Edinburgh, Scotland (United Kingdom)

2005-09-15T23:59:59.000Z

347

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

348

Prospects for cooling and trapping rotationally hot molecules  

Science Journals Connector (OSTI)

Cold collisions involving highly rotationally excited diatomic molecules are investigated. As the translational energy is lowered, the total inelastic cross section decreases sharply for specific channels where quasiresonant transitions are no longer energetically allowed. Rate coefficients are given for collisional quenching of rotationally excited H2,D2,T2, and O2 at zero temperature. The specific rotational states that are stable against collisional relaxation would be interesting prospects for cooling and trapping. The application of collisional cooling methods together with recently developed schemes for producing rotationally hot molecules may allow high densities of ultracold “super rotors” to be achieved.

R. C. Forrey

2002-08-27T23:59:59.000Z

349

Single Molecule as a Local Acoustic Detector for Mechanical Oscillators  

Science Journals Connector (OSTI)

A single molecule can serve as a nanometer-sized detector of acoustic strain. Such a nanomicrophone has the great advantage that it can be placed very close to acoustic signal sources and high sensitivities can be achieved. We demonstrate this scheme by monitoring the fluorescence intensity of a single dibenzoterrylene molecule in an anthracene crystal attached to an oscillating tuning fork. The characterization of the vibration amplitude and of the detection sensitivity is a first step towards detection and control of nanomechanical oscillators through optical detection and feedback.

Yuxi Tian; Pedro Navarro; Michel Orrit

2014-09-26T23:59:59.000Z

350

Single Molecule Emission Characteristics in Near-Field Microscopy  

Science Journals Connector (OSTI)

In near-field scanning optical microscopy (NSOM), the measured fluorescence lifetime of a single dye molecule can be shortened or lengthened, sensitively dependent on the relative position between the molecule and aluminum coated fiber tip. The modified lifetimes and other emission characteristics are simulated by solving Maxwell equations with the finite-difference time-domain (FDTD) method. The 2D computation reveals insight into the lifetime behaviors and provides guidance for nonperturbative spectroscopic measurements with NSOM. This new methodology is capable of predicting molecular emission properties in front of a metal/dielectric interface of arbitrary geometry.

Randy X. Bian; Robert C. Dunn; X. Sunney Xie; P. T. Leung

1995-12-25T23:59:59.000Z

351

Drug Shows Promise for Advanced Disease  

Science Journals Connector (OSTI)

...session of the congress that the drug memantine significantly slowed the progression...transmit their signals. In contrast, memantine turns down the activity of the so-called...damage in Alzheimer's. In Germany, memantine has been approved for treating dementias...

Jean Marx

2000-07-21T23:59:59.000Z

352

NEW APPROACHES IN UNDERSTANDING DRUG METABOLISM  

E-Print Network (OSTI)

Limitations in technology, such as DNA sequencing and appropriate model systems, have made it difficult to understand the genetic and non-genetic factors that influence the liver's role in metabolizing drugs. New approaches ...

Hart, Steven N.

2011-02-22T23:59:59.000Z

353

Conflict of interest over Harvard drug  

Science Journals Connector (OSTI)

... an unusually candid statement released last week by Harvard Medical School, Dean Daniel C. Tosteson acknowledged that a "significant conflict of interest occurred" in a drug study undertaken by ...

Seth Shulman

1988-10-27T23:59:59.000Z

354

Pollution from drug manufacturing: review and perspectives  

Science Journals Connector (OSTI)

...19] and Europe [9,14] as pollution sources, with concentrations of...the picture of pharmaceutical pollution from manufacturing is still highly...for some drugs, possibly even air pollution. 2. Effect studies A number of...

2014-01-01T23:59:59.000Z

355

Single Molecule Screening of Disease DNA Without Amplification  

SciTech Connect

The potential of single molecule detection as an analysis tool in biological and medical fields is well recognized today. This fast evolving technique will provide fundamental sensitivity to pick up individual pathogen molecules, and therefore contribute to a more accurate diagnosis and a better chance for a complete cure. Many studies are being carried out to successfully apply this technique in real screening fields. In this dissertation, several attempts are shown that have been made to test and refine the application of the single molecule technique as a clinical screening method. A basic applicability was tested with a 100% target content sample, using electrophoretic mobility and multiple colors as identification tools. Both electrophoretic and spectral information of individual molecule were collected within a second, while the molecule travels along the flow in a capillary. Insertion of a transmission grating made the recording of the whole spectrum of a dye-stained molecule possible without adding complicated instrumental components. Collecting two kinds of information simultaneously and combining them allowed more thorough identification, up to 98.8% accuracy. Probing mRNA molecules with fluorescently labeled cDNA via hybridization was also carried out. The spectral differences among target, probe, and hybrid were interpreted in terms of dispersion distances after transmission grating, and used for the identification of each molecule. The probes were designed to have the least background when they are free, but have strong fluorescence after hybridization via fluorescence resonance energy transfer. The mRNA-cDNA hybrids were further imaged in whole blood, plasma, and saliva, to test how far a crude preparation can be tolerated. Imaging was possible with up to 50% of clear bio-matrix contents, suggesting a simple lysis and dilution would be sufficient for imaging for some cells. Real pathogen DNA of human papillomavirus (HPV) type-I6 in human genomic DNA was probed with fluorescently-labeled probe molecules and imaged. When only the probes were stained and hybridized in a vial, it had 6 orders of magnitude dynamic range with a detection limit of {approx}0.7 copy/cell. A second dye was added to lower the false positive levels. Although there was a sacrifice of two orders of magnitude in detection limit, the number of false positives was reduced to zero. HPV-16 DNA was also hybridized and detected on surface-tethered probes. When the entire human genomic DNA and HPV was labeled and hybridized, the detection limit was similar to that of one-color assay detected in capillary. However, non-specific adsorption was high, and the dynamic range was narrow because of saturation of the surface and electrostatic repulsion between hybridized targets on the surface. The second probe was introduced to lower non-specific adsorption, and the strategy succeeded in 4 orders of magnitude linear dynamic range in a log-log plot, along with 2.4 copies/cell detection limit. DNA extracts of cell lines that contained a known copy number of HPV-16 DNA were tested with the four strategies described above. The calculated numbers from observed molecule counts matched the known values. Results from the Pap test sample with added HPV DNA were similar to those of purified DNA, suggesting our method is compatible with the conventional Pap test sample collection method. Further optimization will be needed before this single molecule level detection and identification can actually be used in a real clinical lab, but it has good potential and applicability. Improvement such as automated imaging and scanning, more accurate data processing software as well as sensitive camera, should help increase the efficiency and throughput.

Ji-Young Lee

2006-12-12T23:59:59.000Z

356

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

357

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

358

Giant Molecules: Essential Materials for Everyday Living and Problem Solving (Seymour, Raymond B.; Caraher, Charles E.)  

Science Journals Connector (OSTI)

Giant Molecules: Essential Materials for Everyday Living and Problem Solving (Seymour, Raymond B.; Caraher, Charles E.) ...

George B. Kauffman

1990-01-01T23:59:59.000Z

359

A Single-Molecule Technique to Study Sequence-Dependent Transcription Pausing  

E-Print Network (OSTI)

A Single-Molecule Technique to Study Sequence-Dependent Transcription Pausing Alla Shundrovsky elongation using single- molecule optical trapping techniques. Observation of individual molecules of RNA mechanical load. One limitation of previous single molecule studies was the difficulty in correlating

Wang, Michelle

360

Single Molecule Dissociation by Tunneling Electrons B. C. Stipe, M. A. Rezaei, and W. Ho  

E-Print Network (OSTI)

Single Molecule Dissociation by Tunneling Electrons B. C. Stipe, M. A. Rezaei, and W. Ho Laboratory­ scope was used to image and dissociate single O2 molecules on the Pt(111) surface in the temperature­ molecular chemical reaction one molecule at a time. More specifically, we have imaged a single O 2 molecule

Persson, Mats

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

Single-molecule FRET experiments with a red-enhanced custom technology SPAD  

E-Print Network (OSTI)

Single-molecule FRET experiments with a red-enhanced custom technology SPAD Francesco Panzerib, Italy ABSTRACT Single-molecule fluorescence spectroscopy of freely diffusing molecules in solution is a powerful tool used to investigate the properties of individual molecules. Single-Photon Avalanche Diodes

Michalet, Xavier

362

Single Molecules Meet Systems Biology Meals are in the Dining Room  

E-Print Network (OSTI)

Single Molecules Meet Systems Biology 09/27/11 1 NOTE: Meals are in the Dining Room Talks controls bacterial cell cycle progression 9:00 pm Refreshements available at Bob's Pub #12;Single Molecules Life at the single molecule level: Imaging and sequencing single molecules in individual cells 9:30 am

Eddy, Sean

363

Single Molecule Electrochemistry Fu-Ren F. Fan, Juhyoun Kwak, and Allen J. Bard*,  

E-Print Network (OSTI)

Single Molecule Electrochemistry Fu-Ren F. Fan, Juhyoun Kwak, and Allen J. Bard*, Contribution from here electrochemical studies at the level of single molecules and small numbers of molecules. The detection of single molecules, their characterization, and their chemical and physical manipulation have

Kwak, Juhyoun

364

Measurement of photodynamic therapy drug concentrations in a tissue  

SciTech Connect

This is the final report of a one-year laboratory-directed research and development project at the Los Alamos National Laboratory (LANL). Photodynamic therapy (PDT) is an experimental treatment modality for cancer in which a photoactive molecule with an affinity for tumors in administered to the patient, then excited by light. Photoactivation creates singlet oxygen consequently killing the tissue. Knowledge of the concentration of the photoactive compound in the tissue is necessary for proper light dosimetry during PDT. Presently, the control of light application is problematic. If too much light is applied, damage to the surrounding tissue will occur. If insufficient light is applied, the targeted tissue volume will remain viable. The ideal implementation of PDT would use a feedback system for light delivery that incorporates the optical properties of the tissue and knowledge of the concentration of the photoactive compound. This project sought to develop a method for measuring photosensitizer concentrations in tissue phantoms that will lead to a noninvasive, endoscopically compatible, in vivo method of measuring PST drug concentrations.

Mourant, J.; Biglo, I.; Johnson, T.

1996-09-01T23:59:59.000Z

365

The Changing Face of Teenage Drug Abuse — The Trend toward Prescription Drugs  

Science Journals Connector (OSTI)

...friends, or on the Internet." They can also get them all too easily from physicians, according to recent data from the National Center on Addiction and Substance Abuse at Columbia University. A 2004 survey of physicians found that 43 percent did not ask about prescription-drug abuse when taking a patient's... Dr. Richard Friedman describes an emerging pattern in drug use by teenagers: illicit street drugs such as “ecstasy” and cocaine are decreasing in popularity, whereas the nonmedical use of certain prescription drugs is on the rise.

Friedman R.A.

2006-04-06T23:59:59.000Z

366

Questions and Answers - I am not clear on what a molecule is. If water is a  

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

is the difference betweena compound and a molecule? is the difference between<br>a compound and a molecule? Previous Question (What is the difference between a compound and a molecule?) Questions and Answers Main Index Next Question (Biggest and smallest atom?) Biggest and smallest atom? I am not clear on what a molecule is. If water is a molecule, is it also a compound because the hydrogen and oxygen have been chemically combined? If so, how do you determine whether a substance is a compound or a molecule? A molecule is what you get when any atoms join together. A compound is what you get when atoms of two or more different elements join together. All compounds are molecules, but not all molecules are compounds. Water is a molecule because it is made from atoms that have been chemically combined. It is also a compound because the atoms that make water are not

367

DNA heterogeneity and phosphorylation unveiled by single-molecule electrophoresis  

E-Print Network (OSTI)

scatter plots. Materials and Methods Nucleic Acid Preparations. Synthetic DNA oligonucleotides were purchased from different commercial suppliers. DNA prepared by PCR was amplified with synthetic primers fromDNA heterogeneity and phosphorylation unveiled by single-molecule electrophoresis Hui Wang*, James

368

The Birth of Molecules In less than a trillionth  

E-Print Network (OSTI)

in stride, lifts all four hooves off the ground. To prove it, Stanford employed English photographer ( its ' n 1872 railroad magnate Leland Stanford wagered $25,000 that a galloping horse, at some point beams to a point at which we can now record the mo- tions of molecule's as they form and break bonds

Zewail, Ahmed

369

IN PERSPECTIVE REVIEW Cyclooxygenase-2 as a Signaling Molecule  

E-Print Network (OSTI)

found in survivors of the atomic bombs in Japan, the International Commission on Radiation ProtectionIN PERSPECTIVE REVIEW Cyclooxygenase-2 as a Signaling Molecule in Radiation-Induced Bystander Radiation-induced bystander effect represents a paradigm shift in our understanding of the radiobiological

370

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

371

Single Molecule Study of Cellulase Hydrolysis of Crystalline Cellulose  

SciTech Connect

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

372

On the Magnetic Field of a Rotating Molecule  

Science Journals Connector (OSTI)

The space distribution and magnitude of electronic currents in a rotating molecule with a ?1 ground state are re-examined. An evaluation of the magnetic field set up by the rotation is attempted, and the results are used to interpret the width of radiofrequency resonance lines of some alkali halides.

G. C. Wick

1948-01-01T23:59:59.000Z

373

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

374

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

375

Strong extinction of a laser beam by a single molecule  

E-Print Network (OSTI)

We present an experiment where a single molecule strongly affects the amplitude and phase of a laser field emerging from a subwavelength aperture. We achieve a visibility of -6% in direct and +10% in cross-polarized detection schemes. Our analysis shows that a close to full extinction should be possible using near-field excitation.

I. Gerhardt; G. Wrigge; P. Bushev; G. Zumofen; R. Pfab; V. Sandoghdar

2006-04-24T23:59:59.000Z

376

Single molecule enzymology a la Michaelis-Menten  

E-Print Network (OSTI)

In the past one hundred years, deterministic rate equations have been successfully used to infer enzyme-catalysed reaction mechanisms and to estimate rate constants from reaction kinetics experiments conducted in vitro. In recent years, sophisticated experimental techniques have been developed that allow the measurement of enzyme- catalysed and other biopolymer-mediated reactions inside single cells at the single molecule level. Time course data obtained by these methods are considerably noisy because molecule numbers within cells are typically quite small. As a consequence, the interpretation and analysis of single cell data requires stochastic methods, rather than deterministic rate equations. Here we concisely review both experimental and theoretical techniques which enable single molecule analysis with particular emphasis on the major developments in the field of theoretical stochastic enzyme kinetics, from its inception in the mid-twentieth century to its modern day status. We discuss the differences between stochastic and deterministic rate equation models, how these depend on enzyme molecule numbers and substrate inflow into the reaction compartment and how estimation of rate constants from single cell data is possible using recently developed stochastic approaches.

Ramon Grima; Nils Walter; Santiago Schnell

2013-11-28T23:59:59.000Z

377

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

378

Phase equilibria in a system of 'breathing' molecules  

SciTech Connect

It is now well known that details in the intermolecular potential can significantly affect the qualitative features of a phase diagram where temperature is plotted against density for the coexistence curves among fluid and solid phases. While previous calculations of phase diagrams have assumed a time-invariant potential function, this report concerns the phase diagram for ''breathing'' molecules, i.e., molecules whose strength of intermolecular attraction fluctuates in time. Such fluctuations can occur in biomacromolecules where an active site can switch between ''on'' and ''off'' positions. Phase-equilibrium calculations were performed for molecules that have a periodic (breathing) attractive force in addition to the conventional intermolecular forces. The phase diagram for such molecules is as expected when the ''breathing'' properties are independent of density. However, when (more realistically), the ''breathing'' properties are density dependent, the phase diagram exhibits dramatic changes. These calculations may be useful for interpreting experimental data for protein precipitation, for plaque formation in blood vessels and for scaffold-supported tissue formation.

Wu, Jianzhong; Prausnitz, John

2001-09-30T23:59:59.000Z

379

Motions of Molecules in Liquids: Viscosity and Diffusivity  

Science Journals Connector (OSTI)

...and "cages" in which a molecule is "oscillating" with a definite frequency while awaiting...dis-tance between the two ends of a string, say 100 feet long, after gathering...try to solve the problem of the ball of string. To start something that tempts others...

Joel H. Hildebrand

1971-10-29T23:59:59.000Z

380

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)

Single molecule junctions, where a molecule with its perfect chemical reproducibility of modern electronics. Quantum dot molecules (QDM) represent a top-down one. A QDM is composed of two characteristics of nanojunctions both in the single electron transistor and the scanning tunneling microscopy (STM

Schubart, Christoph

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

4.1.6 SINGLE MOLECULE RESONANT TUNNELING SPECTROSCOPY N. P. Guisinger, N. L. Yoder, M. C. Hersam, "Probing Charge Transport at the Single Molecule Level on  

E-Print Network (OSTI)

20 4.1.6 SINGLE MOLECULE RESONANT TUNNELING SPECTROSCOPY N. P. Guisinger, N. L. Yoder, M. C. Hersam, "Probing Charge Transport at the Single Molecule Level on Silicon by Using Cryogenic Ultra-High Vacuum chemistry with single molecule precision. #12;

Shull, Kenneth R.

382

FORMATION OF A PHYSICALLY STABLE AMORPHOUS DRUG COMPLEX  

E-Print Network (OSTI)

ABSTRACT In this paper we explore the use of Neusilin, an inorganic magnesium aluminometasilicate, to stabilize the amorphous form of an acidic drug a neutral drug and two basic drugs. Both cryomilling and ball milling of the drug with Neusilin were...

MacLean, Jenifer Anne

2010-12-16T23:59:59.000Z

383

Using a drug-word Stroop task to differentiate recreational from dependent drug use  

E-Print Network (OSTI)

, Garavan H. A consistent attentional bias for drug-related material in active cocaine users across word and picture versions of the emotional Stroop task. Drug Alcohol Depend. 2006;81(3):251–257. 38. Franken IHA, Kroon LY, Wiers RW, Jansen A. Selective...

Smith, Dana G.; Ersche, Karen D.

2014-03-14T23:59:59.000Z

384

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

385

Drug Testing for New Clearance Holders  

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

Drug Testing Prerequisite for DOE Security Clearance Applicants Drug Testing Prerequisite for DOE Security Clearance Applicants The following matrix identifies those individuals required to have a current negative drug test as a prerequisite for being processed for a security clearance. A current test is one taken within 60 calendar days of the individual's SF-86/SF-86C signature date. For those cases where no such form is collected (e.g. reciprocity) the test must have been taken within 60 calendar days of the date of the request for security clearance. Current Status Clearance Action Test Required? Uncleared - Applicant Grant (Q/L, T/S/C) Yes Previously Cleared DOE-now uncleared DOE Reinstate (Q/L, T/S/C) Yes* Coming from another Federal agency, regardless of clearance status Grant (Q/L, T/S/C) Yes**

386

Drug Testing for New Clearance Holders  

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

Drug Testing Prerequisite for DOE Security Clearance Applicants Drug Testing Prerequisite for DOE Security Clearance Applicants The following matrix identifies those individuals required to have a current negative drug test as a prerequisite for being processed for a security clearance. A current test is one taken within 60 calendar days of the individual's SF-86/SF-86C signature date. For those cases where no such form is collected (e.g. reciprocity) the test must have been taken within 60 calendar days of the date of the request for security clearance. Current Status Clearance Action Test Required? Uncleared - Applicant Grant (Q/L, T/S/C) Yes Previously Cleared DOE-now uncleared DOE Reinstate (Q/L, T/S/C) Yes* Coming from another Federal agency, regardless of clearance status Grant (Q/L, T/S/C) Yes**

387

Los Alamos scientists detect and track single molecules with nanoscale  

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

Nanotube "glowsticks" transform surface science tool kit Nanotube "glowsticks" transform surface science tool kit Los Alamos scientists detect and track single molecules with nanoscale carbon cylinders Researchers have now shown that semiconducting carbon nanotubes have the potential to detect and track single molecules in water. January 10, 2012 Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy sources, to plasma physics and new materials. Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy

388

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

389

The Physics of Life: one molecule at a time  

E-Print Network (OSTI)

The esteemed physicist Erwin Schroedinger, whose name is associated with the most notorious equation of quantum mechanics, also wrote a brief essay entitled 'What is Life?', asking: 'How can the events in space and time which take place within the spatial boundary of a living organism be accounted for by physics and chemistry?' The 60+ years following this seminal work have seen enormous developments in our understanding of biology on the molecular scale, physics playing a key role in solving many central problems through the development and application of new physical science techniques, biophysical analysis and rigorous intellectual insight. The early days of single molecule biophysics research was centred around molecular motors and biopolymers, largely divorced from a real physiological context. The new generation of single molecule bioscience investigations has much greater scope, involving robust methods for understanding molecular level details of the most fundamental biological processes in far more r...

Leake, M C

2012-01-01T23:59:59.000Z

390

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

391

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

392

Laser Coulomb-explosion imaging of small molecules  

SciTech Connect

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

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

2005-01-01T23:59:59.000Z

393

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

394

Prospects for Doppler cooling of three-electronic-level molecules  

SciTech Connect

Analogous to the extension of laser cooling techniques from two-level to three-level atoms, Doppler cooling of molecules with an intermediate electronic state is considered. In particular, we use a rate-equation approach to simulate cooling of SiO{sup +}, in which population buildup in the intermediate state is prevented by its short lifetime. We determine that Doppler cooling of SiO{sup +} can be accomplished without optically repumping from the intermediate state, at the cost of causing undesirable parity flips and rotational diffusion. Since the necessary repumping would require a large number of continuous-wave lasers, optical pulse shaping of a femtosecond laser is proposed as an attractive alternative. Other candidate three-electron-level molecules are also discussed.

Nguyen, J. H. V.; Odom, B. [Department of Physics and Astronomy, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 (United States)

2011-05-15T23:59:59.000Z

395

Incoherent x-ray scattering in single molecule imaging  

E-Print Network (OSTI)

Imaging of the structure of single proteins or other biomolecules with atomic resolution would be enormously beneficial to structural biology. X-ray free-electron lasers generate highly intense and ultrashort x-ray pulses, providing a route towards imaging of single molecules with atomic resolution. The information on molecular structure is encoded in the coherent x-ray scattering signal. In contrast to crystallography there are no Bragg reflections in single molecule imaging, which means the coherent scattering is not enhanced. Consequently, a background signal from incoherent scattering deteriorates the quality of the coherent scattering signal. This background signal cannot be easily eliminated because the spectrum of incoherently scattered photons cannot be resolved by usual scattering detectors. We present an ab initio study of incoherent x-ray scattering from individual carbon atoms, including the electronic radiation damage caused by a highly intense x-ray pulse. We find that the coherent scattering pa...

Slowik, Jan Malte; Dixit, Gopal; Jurek, Zoltan; Santra, Robin

2014-01-01T23:59:59.000Z

396

Electron loss of fast projectiles in collisions with molecules  

SciTech Connect

The single- and multiple-electron loss of fast highly charged projectiles in collisions with neutral molecules is studied within the framework of a nonperturbative approach. The cross sections for single-, double-, and triple-electron losses are calculated for the collision system Fe{sup q+}{yields}N{sub 2} (q=24, 25, 26) at the collision energies 10, 100, and 1000 MeV/nucleon. The effects caused by the collision multiplicity and the orientation of the axis of the target molecule are treated. It is shown that the collision multiplicity effect leads to considerable differences for the cases of perpendicular and parallel orientations of the molecular axes with respect to the direction of the projectile motion, while for chaotic orientation such an effect is negligible.

Matveev, V. I.; Makarov, D. N. [Pomor State University, 4 Lomonosov Street, 163002 Arkhangelsk (Russian Federation); Rakhimov, Kh. Yu. [Department of Physics, National University of Uzbekistan, 100174 Tashkent (Uzbekistan)

2011-07-15T23:59:59.000Z

397

Vibration?Pseudorotation Coupling in Symmetric Triatomic Molecules  

Science Journals Connector (OSTI)

For each type of molecule, the vibration?rotation coupling energy and vibrational structures of wave functions were examined up to the levels of high energy, about 15?000?20?000 cm-1 above the bottom of the well. ... The dynamics of polyatomic vibrations and vibration?rotation interaction in highly excited states have been the subject of many theoretical and experimental studies for the past decade. ... 11-13 Since the angular momentum of the system can also be generated by simultaneous vibrations as well as rotation of the molecule, there exists a coupling between vibration and rotation even for the states with zero total angular momentum (J = 0) which would be nonnegligible in some highly excited vibrational levels. ...

Jae Shin Lee

1996-02-01T23:59:59.000Z

398

Two-color studies of autoionizing states of small molecules  

SciTech Connect

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

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

1989-01-01T23:59:59.000Z

399

Auger spectrum of the LiF molecule  

Science Journals Connector (OSTI)

The Auger spectrum of LiF vapor has been measured in the energy region 600-680 eV by means of electron-beam excitation. The assignment of the peak structure is based on theoretical ab initio calculations with the use of the multiconfigurational complete-active-space self-consistent-field method and by comparison with the corresponding spectra of the neon atom and the hydrogen fluoride molecule.

Matti Hotokka; Hans Ågren; Helena Aksela; Seppo Aksela

1984-10-01T23:59:59.000Z

400

Low-energy nuclear transfer reactions in muonic molecules  

Science Journals Connector (OSTI)

A scheme, analogous to the linear combination of atomic orbitals, is proposed to calculate rates of reactions of nucleon-group transfer between nuclei confined in muonic molecules. It is pointed out that such rates can be rather high if the energy release of a reaction is small. As an example, the rate of the reaction p-?-10Be?t-?-8Be is calculated.

V. B. Belyaev; S. A. Rakityansky; H. Fiedeldey; S. A. Sofianos

1994-07-01T23:59:59.000Z

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.


401

Electric dipole rovibrational transitions in the HD molecule  

Science Journals Connector (OSTI)

The rovibrational electric dipole transitions in the ground electronic state of the HD molecule are studied. A simple, yet rigorous formula is derived for the transition rates in terms of the electric dipole moment function D(R), which is calculated in a wide range of R. Our numerical results for transition rates are in moderate agreement with experiments and previous calculations, but are at least an order of magnitude more accurate.

Krzysztof Pachucki and Jacek Komasa

2008-11-07T23:59:59.000Z

402

Using Coupled Harmonic Oscillators to Model Some Greenhouse Gas Molecules  

SciTech Connect

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

403

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

404

Density Functional Theory with Dissipation: Transport through Single Molecules  

SciTech Connect

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

405

Ro-vibrational Relaxation Dynamics of PbF Molecules  

SciTech Connect

In 1950 Purcell and Ramsey suggested that the electron might have a CP-violating electric dipole moment (e-EDM) proportional to its spin angular momentum. This possibility initiated an ongoing hunt for the e-EDM that has been spurred on by the recognition of the importance of CP-violation to the formation of a matter-dominated universe[2] as well as a difference in magnitude of the Supersymmetric and Standard Model[4] prediction for its value. The current limit on the e-EDM is 1.6Eâ??27 e·cm as determined in a Ramsey beam resonance study of the Tl atom. The PbF molecule provides a unique opportunity to measure the e-EDM. The moleculeâ??s odd electron, heavy mass, and large internal field combine to give it an intrinsic sensitivity to an e-EDM that is over three orders of magnitude bigger than that of the Tl atom. In addition to this increased intrinsic sensitivity, the ground state of the PbF molecule allows for a "magic" electric field at which the magnetic moment vanishes[7]. All of these advantages create an opportunity to significantly lower the current limit on the e-EDM. These advantages can only be realized if an intense source of ground-state PbF molecules can be created and detected with high efficiency. The scope of this project is to (1) create a rotationally cold molecular beam source of PbF, (2) achieve a continuous ionization scheme for sensitive state selective detection of the PbF molecule.

Neil Shafer-Ray

2011-04-08T23:59:59.000Z

406

Cold collisions between argon atoms and hydrogen molecules  

Science Journals Connector (OSTI)

Collisions between argon atoms and hydrogen molecules are investigated at very low temperatures. Quantum-mechanical calculations are performed using two different potential-energy surfaces. Rate coefficients for all possible combinations of initial vibrational and rotational level have been computed in the limit of zero temperature. Resonant and quasiresonant behavior is found using both potential-energy surfaces. The results are interpreted and estimates are made of the reliability of the calculations.

J. C. Flasher and R. C. Forrey

2002-02-13T23:59:59.000Z

407

Single Molecule Electron Transfer Dynamics in Complex Environments  

Science Journals Connector (OSTI)

We propose a new theoretical approach to study the kinetics of the electron transfer (ET) under the dynamical influence of the complex environments with the first passage times (FPT) of the reaction events. By measuring the mean and high order moments of FPT and their ratios, the full kinetics of ET, especially the dynamical transitions across different temperature zones, is revealed. The potential applications of the current results to single molecule electron transfer are discussed.

Vitor B. P. Leite; Luciana C. P. Alonso; Marshall Newton; Jin Wang

2005-09-08T23:59:59.000Z

408

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

Science Journals Connector (OSTI)

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

Michele Vendruscolo

2013-01-01T23:59:59.000Z

409

Web Sites with Misinformation about Illicit Drugs  

Science Journals Connector (OSTI)

To the Editor: As part of our research on the relation between the Internet and substance abuse, we have identified several Web sites that promulgate information about illicit drugs. These "partisan" Web sites are easily identified by common search engines if one uses the names of illicit substances... To the Editor: As part of our research on the relation between the Internet and substance abuse, we have identified several Web sites that promulgate information about illicit drugs. These “partisan” Web sites are easily identified by common search ...

2001-08-09T23:59:59.000Z

410

Radiation damage in biomimetic dye molecules for solar cells  

Science Journals Connector (OSTI)

A significant obstacle to organic photovoltaics is radiation damage either directly by photochemical reactions or indirectly via hot electrons. Such effects are investigated for biomimetic dye molecules for solar cells (phthalocyanines) and for a biological analog (the charge transfer protein cytochrome c). Both feature a central transition metal atom (or H 2 ) surrounded by nitrogen atoms. Soft x-ray absorption spectroscopy and photoelectron spectroscopy are used to identify three types of radiation-induced changes in the electronic structure of these molecules. (1) The peptidebonds along the backbone of the protein are readily broken while the nitrogen cage remains rather stable in phthalocyanines. This finding suggests minimizing peptide attachments to biologically inspired molecules for photovoltaic applications. (2) The metal atom in the protein changes its 3d electron configuration under irradiation. (3) The Fermi level E F shifts relative to the band gap in phthalocyanine films due to radiation-induced gap states. This effect has little influence on the optical absorption but it changes the lineup between the energy levels of the absorbing dye and the acceptor/donor electrodes that collect the charge carriers in a solar cell.

Peter L. Cook; Phillip S. Johnson; Xiaosong Liu; An-Li Chin; F. J. Himpsel

2009-01-01T23:59:59.000Z

411

Dynamics of Confined Water Molecules in Aqueous Salt Hydrates  

SciTech Connect

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

412

The Physics of Life: one molecule at a time  

E-Print Network (OSTI)

The esteemed physicist Erwin Schroedinger, whose name is associated with the most notorious equation of quantum mechanics, also wrote a brief essay entitled 'What is Life?', asking: 'How can the events in space and time which take place within the spatial boundary of a living organism be accounted for by physics and chemistry?' The 60+ years following this seminal work have seen enormous developments in our understanding of biology on the molecular scale, physics playing a key role in solving many central problems through the development and application of new physical science techniques, biophysical analysis and rigorous intellectual insight. The early days of single molecule biophysics research was centred around molecular motors and biopolymers, largely divorced from a real physiological context. The new generation of single molecule bioscience investigations has much greater scope, involving robust methods for understanding molecular level details of the most fundamental biological processes in far more realistic, and technically challenging, physiological contexts, emerging into a new field of 'single molecule cellular biophysics'. Here, I outline how this new field has evolved, discuss the key active areas of current research, and speculate on where this may all lead in the near future.

M. C. Leake

2012-11-19T23:59:59.000Z

413

Prescription drug abuse: Problem, policies, and implications  

Science Journals Connector (OSTI)

This article provides an overview on prescription drug abuse and highlights a number of related legislative bills introduced during the 112th Congress in response to this growing epidemic. Prescription drug abuse has emerged as the nation’s fastest growing drug problem. Although prescription drugs have been used effectively and appropriately for decades, deaths from prescription pain medicine in particular have reached epidemic proportions. Bills related to prescription drug abuse introduced during the 112th Congress focus on strengthening provider and consumer education, tracking and monitoring prescription drug abuse, improving data collection on drug overdose fatalities, combating fraud and abuse in Medicare and Medicaid programs, reclassifying drugs to make them more difficult to prescribe and obtain, and enforcing stricter penalties for individuals who operate scam pain clinics and sell pain pills illegitimately. This article underscores the importance of a multifaceted approach to combating prescription drug abuse and concludes with implications for nursing.

Janice Phillips

2013-01-01T23:59:59.000Z

414

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

Science Journals Connector (OSTI)

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

Sovan Sarkar

2013-01-01T23:59:59.000Z

415

2012 Women's Contraceptive Drugs and Devices List  

E-Print Network (OSTI)

as the health care reform law, will comply with requirements for Women's Preventive Health Services. This means2012 Women's Contraceptive Drugs and Devices List Aetna Student Health PlansSM Quality health plans plans effective or renewing after August 1, 2012 and subject to the Affordable Care Act, also known

Buehrer, R. Michael

416

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.

417

Human Cytomegalovirus Resistance to Antiviral Drugs  

Science Journals Connector (OSTI)

American Society for Microbiology MINIREVIEW MINIREVIEW Human...Resistance to Antiviral Drugs C. Gilbert 1 G. Boivin 1 Corresponding...523-528. 20 Boivin, G., C. Gilbert, A. Gaudreau, I. Greenfield...G., N. Goyette, C. Gilbert, N. Roberts, K. Macey...

C. Gilbert; G. Boivin

2005-03-01T23:59:59.000Z

418

Genomics-based drug discovery venture  

Science Journals Connector (OSTI)

Genomics-based drug discovery venture ... The Cambridge, Mass.-based company calls its DiscoverEase program "functional genomics"—designed to isolate and rapidly determine not only genes but also the related functions of critical proteins. ... Other genomics programs sequence vast amounts of human genetic information. ...

ANN THAYER

1996-10-07T23:59:59.000Z

419

Genomics Rises To Drug Discovery Challenge  

Science Journals Connector (OSTI)

Genomics Rises To Drug Discovery Challenge ... Functional genomics and functional proteomics provide a set of powerful tools to help identify novel cellular targets ... With pharmaceutical companies and biotechnology firms always looking for ways to discover new medicines more quickly and more efficiently, they are increasingly turning to new genomics and proteomics technologies to speed things along. ...

STU BORMAN

1999-04-19T23:59:59.000Z

420

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

SciTech Connect

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

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

2013-01-01T23:59:59.000Z

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.


421

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

422

Ultracold Fermionic Feshbach Molecules of [superscript 23]Na[superscript 40]K  

E-Print Network (OSTI)

We report on the formation of ultracold weakly bound Feshbach molecules of [superscript 23]Na[superscript 40]K, the first fermionic molecule that is chemically stable in its absolute ground state. The lifetime of the nearly ...

Wu, Cheng-Hsun

423

Study of Conformation and Dynamics of Molecules Adsorbed in Zeolites by 1H NMR  

Science Journals Connector (OSTI)

The chapter “Study of Conformation and Dynamics of Molecules Adsorbed in Zeolites by 1H NMR” is concerned with the application of high-resolution (HR) solid-state NMR techniques to study the behavior of molecules...

Dieter Michel; Winfried Böhlmann…

2004-01-01T23:59:59.000Z

424

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

NLE Websites -- All DOE Office Websites (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,...

425

E-Print Network 3.0 - aligned hydrogen molecules Sample Search...  

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

hydrogen molecules Search Powered by Explorit Topic List Advanced Search Sample search results for: aligned hydrogen molecules Page: << < 1 2 3 4 5 > >> 1 Hydrogen-Bond Kinetics in...

426

the unfolding of fibrin(ogen) domains has been measured by single-molecule atomic  

E-Print Network (OSTI)

the unfolding of fibrin(ogen) domains has been measured by single-molecule atomic force microscopy, 13), but simulations on appropriate time scales for this large and complex molecule may require

Connolly Jr, Harold C.

427

Building of a Novel Mn12 Single Molecule Magnet by Assembly of...  

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

Building of a Novel Mn12 Single Molecule Magnet by Assembly of Anisotropic Triangles Building of a Novel Mn12 Single Molecule Magnet by Assembly of Anisotropic Triangles Print...

428

A Multi-State Single-Molecule Switch Actuated by Rotation of...  

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

Multi-State Single-Molecule Switch Actuated by Rotation of an Encapsulated Cluster within a Fullerene Cage. A Multi-State Single-Molecule Switch Actuated by Rotation of an...

429

Chemists are concerned with molecules; their archi-tecture, physical properties, and the physical and chemi-  

E-Print Network (OSTI)

and chemi- cal transformations which they undergo. But molecules, so the theory goes, are made up of atoms

Rioux, Frank

430

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

E-Print Network (OSTI)

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

Beal, Peter A.

431

New Life for an Old Drug: the Anthelmintic Drug Niclosamide Inhibits Pseudomonas aeruginosa Quorum Sensing  

Science Journals Connector (OSTI)

...mellonella insect model of infection (33). Larvae of the wax moth G. mellonella are extremely sensitive to P. aeruginosa...2006. Bad bugs need drugs: an update on the development pipeline from the Antimicrobial Availability Task Force of the Infectious...

Francesco Imperi; Francesco Massai; Cejoice Ramachandran Pillai; Francesca Longo; Elisabetta Zennaro; Giordano Rampioni; Paolo Visca; Livia Leoni

2012-12-17T23:59:59.000Z

432

MAGNETIC QUANTUM TUNNELING AND RELATED PHENOMENA IN SINGLE MOLECULE MAGNETS Presentation  

E-Print Network (OSTI)

MAGNETIC QUANTUM TUNNELING AND RELATED PHENOMENA IN SINGLE MOLECULE MAGNETS Presentation A A A A A A MAGNETIC QUANTUM TUNNELING AND RELATED PHENOMENA IN SINGLE MOLECULE MAGNETS MAGNETIC QUANTUM TUNNELING AND RELATED PHENOMENA IN SINGLE MOLECULE MAGNETS ENRIQUE DEL BARCOENRIQUE DEL BARCO Physics Department - New

del Barco, Enrique

433

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

434

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.

435

IMPROVED REACTION SCHEME FOR SPATIAL STOCHASTIC SIMULATIONS WITH SINGLE MOLECULE DETAIL  

E-Print Network (OSTI)

IMPROVED REACTION SCHEME FOR SPATIAL STOCHASTIC SIMULATIONS WITH SINGLE MOLECULE DETAIL Michael of particle tracking in molecule po- sitions and bimolecular reactions. Bimolecular reactions depend on the collision of two molecules, but the time of a first order (e.g. decay) event can be pre

Lygeros, John

436

2011 by HyeongJun Kim SINGLE-MOLECULE STUDIES OF  

E-Print Network (OSTI)

2011 by HyeongJun Kim #12;#12;SINGLE-MOLECULE STUDIES OF UNCONVENTIONAL MOTOR PROTEIN MYOSIN VI the length of its "leg". This dissertation presents the authors graduate work of several single-molecule. Our single-molecule experiment with progressively truncated myosin VI constructs showed that the MT

Illinois at Urbana-Champaign, University of

437

Single-molecule chemical reactions: Reexamination of the Kramers approach G. Margolin1  

E-Print Network (OSTI)

Single-molecule chemical reactions: Reexamination of the Kramers approach G. Margolin1 and E; published 2 August 2005 Single-molecule chemical reactions yield insight into fluctuation phenomena in a framework suitable for single-molecule reactions. In particular we obtain distributions of escape times

Barkai, Eli

438

Single-molecule binding experiments on long time scales Mark P. Elenko,1  

E-Print Network (OSTI)

Single-molecule binding experiments on long time scales Mark P. Elenko,1 Jack W. Szostak,2; accepted 11 July 2010; published online 27 August 2010 We describe an approach for performing single-molecule than have been previously investigated by single-molecule techniques. Total internal reflection

Heller, Eric

439

Theory of vibrational absorption sidebands in the Coulomb-blockade regime of single-molecule transistors  

E-Print Network (OSTI)

Theory of vibrational absorption sidebands in the Coulomb-blockade regime of single-molecule-driven vibrational nonequilibrium induces vibrational sidebands in single-molecule transistors which arise from.125306 PACS number s : 73.23.Hk, 73.63. b, 85.65. h I. INTRODUCTION Single-molecule junctions and transistors

von Oppen, Felix

440

Single-Molecule Measurements of the Persistence Length of Double-Stranded RNA  

E-Print Network (OSTI)

Single-Molecule Measurements of the Persistence Length of Double-Stranded RNA J. A. Abels, FRNA using two different single-molecule techniques: magnetic tweezers and atomic force microscopy. We deduce. The introduction of these single-molecule techniques for dsRNA analysis opens the way for real-time, quantitative

Dekker, Nynke

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

Single-molecule studies of RNAPII elongation Jing Zhou a,1  

E-Print Network (OSTI)

Review Single-molecule studies of RNAPII elongation Jing Zhou a,1 , Volker Schweikhard b,1 , Steven August 2012 Available online 6 September 2012 Keywords: Pol II Transcript elongation Single-molecule, however, remain elusive and generate continued interest and even controversy. Recently, single-molecule

Straight, Aaron

442

Enhancing single-molecule photostability by optical feedback from quantum jump detection  

E-Print Network (OSTI)

Enhancing single-molecule photostability by optical feedback from quantum jump detection V. Jacques; published online 20 November 2008 We report an optical technique that yields an enhancement of single-molecule and will allow the investigation of new phenomena at the single-molecule level. © 2008 American Institute

Murray, John D.

443

Single-molecule fluorescence studies from a bioinorganic perspective Peng Chen *, Nesha May Andoy  

E-Print Network (OSTI)

Review Single-molecule fluorescence studies from a bioinorganic perspective Peng Chen *, Nesha May. Solomon. Abstract In recent years, single-molecule methods have enabled many innovative studies machineries. Single-molecule studies of bioinorganic systems have been limited, how- ever, even though

Chen, Peng

444

How Does a Single Pt Nanocatalyst Behave in Two Different Reactions? A Single-Molecule Study  

E-Print Network (OSTI)

How Does a Single Pt Nanocatalyst Behave in Two Different Reactions? A Single-Molecule Study Kyu ABSTRACT: Using single-molecule microscopy of fluoro- genic reactions we studied Pt nanoparticle catalysis. KEYWORDS: Single-particle catalysis, platinum nanoparticles, single-molecule imaging, deacetylation

Chen, Peng

445

Single-molecule studies of complex systems: the replisome Antoine M. van Oijen  

E-Print Network (OSTI)

Single-molecule studies of complex systems: the replisome Antoine M. van Oijen Received 30th August and reaction mechanisms. An important future goal is extending the applicability of single-molecule techniques will be used as an example to illustrate recent progress in the development of various single-molecule

446

Single molecule high-resolution colocalization of Cy3 and Cy5 attached to macromolecules measures  

E-Print Network (OSTI)

Single molecule high-resolution colocalization of Cy3 and Cy5 attached to macromolecules measures, 2004 Here we present a technique called single-molecule high-resolution colocalization (SHREC's lower resolution limit lies at the upper resolution limit of single molecule FRET (smFRET) microscopy

Spudich, James A.

447

Single-molecule transistor fabrication by self-aligned lithography and in situ molecular assembly  

E-Print Network (OSTI)

Single-molecule transistor fabrication by self-aligned lithography and in situ molecular assembly J of single-molecule transistors by self-aligned lithography and in situ molecular assembly. Ultrathin metal fabrication of electrodes that can be bridged by a single molecule remains a significant challenge

Hone, James

448

Single-Molecule Kinetics of Nanoparticle Catalysis , Hao Shen, Guokun Liu, and Peng Chen  

E-Print Network (OSTI)

#12;Single-Molecule Kinetics of Nanoparticle Catalysis Weilin Xu , Hao Shen, Guokun Liu, and Peng to characterize in ensemble-averaged measurements. The single-molecule approach enables studying the catalysis single-molecule Áuorescence studies of single Au-nanoparticle catalysis, focusing on the theoretical

Chen, Peng

449

Theoretical study of single molecule fluorescence in a metallic nanocavity Jorg Enderleina)  

E-Print Network (OSTI)

Theoretical study of single molecule fluorescence in a metallic nanocavity Jo¨rg Enderleina the metal. For the sake of sim- plicity, a single dye molecule centered within a dielectric bead coated on the fluorescence excitation and emission of a molecule embedded within a nanometric metal-coated dielectric bead

Enderlein, Jörg

450

Large single-molecule fluorescence enhancements produced by a bowtie nanoantenna  

E-Print Network (OSTI)

Large single-molecule fluorescence enhancements produced by a bowtie nanoantenna Anika Kinkhabwala1 mismatch between light and nanoscale objects such as single molecules, it is important to be able-contrast selection of single nanoemitters. A single fluorescent molecule (SM) with transition dipole m acts

Fan, Shanhui

451

Single molecule analysis of RNA polymerase elongation reveals uniform kinetic behavior  

E-Print Network (OSTI)

Single molecule analysis of RNA polymerase elongation reveals uniform kinetic behavior Karen) By using single-molecule measurements, we demonstrate that the elongation kinetics of individual any variation in the behavior of single RNAP molecules as well as the differences that exist between

La Porta, Arthur

452

High-throughput single-molecule fluorescence spectroscopy using parallel detection  

E-Print Network (OSTI)

High-throughput single-molecule fluorescence spectroscopy using parallel detection X. Michalet Solution-based single-molecule fluorescence spectroscopy is a powerful new experimental approach in rare burst-like events corresponding to the transit of a single-molecule. Those events are accumulated

Michalet, Xavier

453

Label-free single-molecule detection of DNA-hybridization kinetics with a carbon nanotube  

E-Print Network (OSTI)

Label-free single-molecule detection of DNA- hybridization kinetics with a carbon nanotube field , Colin Nuckolls2 and Kenneth L. Shepard1 * Single-molecule measurements of biomolecules can provide systems with fast dynamics. Here, we report the detection of DNA hybridization at the single-molecule

Hone, James

454

Single-molecule spectroscopy of the 2 adrenergic receptor: Observation of conformational  

E-Print Network (OSTI)

Single-molecule spectroscopy of the 2 adrenergic receptor: Observation of conformational substates by Richard N. Zare, May 15, 2001 Single-molecule studies of the conformations of the intact 2 adrenergic single molecules diffusing across the probe volume of a confocal microscope. The effects of molecular

Kobilka, Brian

455

Fabrication of nanogapped single-electron transistors for transport studies of individual single-molecule magnets  

E-Print Network (OSTI)

Fabrication of nanogapped single-electron transistors for transport studies of individual single-molecule through individual single-molecule magnets SMMs . The devices were patterned via multiple layers molecules have received considerable attention over the last several years due to the introduction of single

del Barco, Enrique

456

Photon Statistics for Single-Molecule Nonlinear Spectroscopy F. Shikerman and E. Barkai  

E-Print Network (OSTI)

Photon Statistics for Single-Molecule Nonlinear Spectroscopy F. Shikerman and E. Barkai Department develop the theory of nonlinear spectroscopy for a single molecule undergoing stochastic dynamics-probe single-molecule system. Unlike the previous approaches to nonlinear spectroscopy where only the ensemble

Barkai, Eli

457

Single molecule simulations in complex geometries with embedded dynamic one-dimensional structures  

E-Print Network (OSTI)

Single molecule simulations in complex geometries with embedded dynamic one-dimensional structures and shrink. In this paper we present a simulation algorithm that combines single molecule simula- tions in three-dimensional space with single molecule simulations on one-dimensional structures of arbitrary

Flener, Pierre

458

Single-molecule dynamics of semiflexible Gaussian chains Shilong Yang, James B. Witkoskie, and Jianshu Caoa)  

E-Print Network (OSTI)

Single-molecule dynamics of semiflexible Gaussian chains Shilong Yang, James B. Witkoskie to determine the statistics and correlations of single-molecule fluorescence resonant energy transfer FRET the intrachain dynamics at the single-molecule level. When measured with finite time resolution

Cao, Jianshu

459

Effect of Hydrodynamic Interactions on DNA Dynamics in Extensional Flow: Simulation and Single Molecule Experiment  

E-Print Network (OSTI)

a combination of single molecule experimental techniques and Brownian dynamics (BD) simulation to investigate, and chain stretch in strong flows. More recently, the advent of single molecule visualizations using. A careful coupling of single molecule visualization and Brownian dynamics simulation of polymer chains

Shaqfeh, Eric

460

ccsd-00001150(version1):17Feb2004 Getting DNA twist rigidity from single molecule  

E-Print Network (OSTI)

ccsd-00001150(version1):17Feb2004 Getting DNA twist rigidity from single molecule experiments S rotation diagrams of single supercoiled DNA molecules. We reproduce quantitatively the supercoiling groups, using different micro-techniques, have been able to manipulate single DNA molecules in order

Paris-Sud XI, Université de

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

Analysis of single-molecule FRET trajectories of transcription complexes based on Hidden-Markov Modelling  

E-Print Network (OSTI)

Analysis of single-molecule FRET trajectories of transcription complexes based on Hidden of transcription and direct probing of intermediates has become possible thanks to single-molecule methods. In contrast to ensemble methods that report on the mean properties of large populations, single-molecule

Goldschmidt, Christina

462

Dynamics of Single-Molecule Rotations on Surfaces that Depend on Symmetry, Interactions, and Molecular Sizes  

E-Print Network (OSTI)

Dynamics of Single-Molecule Rotations on Surfaces that Depend on Symmetry, Interactions new nanoscale devices and materials. However, mechanisms of motion of these rotors at the single-molecule dynamics simulations and simple models to investigate what factors influence single-molecule rotations

463

Single-Molecule Three-Color FRET with Both Negligible Spectral Overlap and Long Observation Time  

E-Print Network (OSTI)

Single-Molecule Three-Color FRET with Both Negligible Spectral Overlap and Long Observation Time-color detection capability in doing single- molecule fluorescence resonance energy transfer (FRET) experiments. Existing single-molecule three-color FRET techniques, however, suffer from severe photobleaching of Alexa

Hohng, Sung Chul

464

Single-molecule studies of repressorDNA interactions show long-range interactions  

E-Print Network (OSTI)

Single-molecule studies of repressor­DNA interactions show long-range interactions Y. M. Wang performed single-molecule studies of GFP­LacI repressor proteins bound to bacteriophage DNA containing a 256 studies is to obtain information from single protein­DNA molecules, rather than ensembles of millions

465

Single Molecule Measurements of Repressor Protein 1D Diffusion on DNA Y. M. Wang,1  

E-Print Network (OSTI)

Single Molecule Measurements of Repressor Protein 1D Diffusion on DNA Y. M. Wang,1 Robert H. Austin 10 October 2005; published 27 July 2006) We used single-molecule imaging techniques and measured [10­14]. We used a single-molecule method approach to study LacI-DNA binding, and ob- served

Voigt, Chris

466

DNA combing on low-pressure oxygen plasma modified polysilsesquioxane substrates for single-molecule studies  

E-Print Network (OSTI)

DNA combing on low-pressure oxygen plasma modified polysilsesquioxane substrates for single-molecule.1063/1.4878635 A highly parallel microfluidic droplet method enabling single-molecule counting for digital enzyme-treatment and molecular diagnosis Biomicrofluidics 6, 034119 (2012); 10.1063/1.4748358 Single molecule analysis

467

Methods to Track Single-Molecule Trajectories Stephen Anthony, Liangfang Zhang, and Steve Granick*  

E-Print Network (OSTI)

Methods to Track Single-Molecule Trajectories Stephen Anthony, Liangfang Zhang, and Steve Granick are discussed to track single molecules in planar-supported phospholipid bilayers. Mainly, these methods in extending methods of object tracking to the single-molecule regime, they may also find use in other

Zhang, Liangfang

468

Single-molecule analysis of DNA replication in Xenopus egg extracts Hasan Yardimci a  

E-Print Network (OSTI)

Single-molecule analysis of DNA replication in Xenopus egg extracts Hasan Yardimci a , Anna B: Available online 6 April 2012 Communicated by Marcel Mechali Keywords: Single-molecule DNA replication Fluorescence microscopy a b s t r a c t The recent advent in single-molecule imaging and manipulation methods

469

Theory of single photon on demand from a single molecule sourcew and Eli Barkaib  

E-Print Network (OSTI)

Theory of single photon on demand from a single molecule sourcew Yong Hea and Eli Barkaib Received for the description of cryogenic temperature single molecules, and that experiments were conducted very close single molecules,7­9 single quantum dots,10­12 or nitrogen vacancy color centers,13 are nowadays

Barkai, Eli

470

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

471

Novel nuclear magnetic resonance techniques for studying biological molecules  

SciTech Connect

Over the fifty-five year history of Nuclear Magnetic Resonance (NMR), considerable progress has been made in the development of techniques for studying the structure, function, and dynamics of biological molecules. The majority of this research has involved the development of multi-dimensional NMR experiments for studying molecules in solution, although in recent years a number of groups have begun to explore NMR methods for studying biological systems in the solid-state. Despite this new effort, a need still exists for the development of techniques that improve sensitivity, maximize information, and take advantage of all the NMR interactions available in biological molecules. In this dissertation, a variety of novel NMR techniques for studying biomolecules are discussed. A method for determining backbone ({phi}/{psi}) dihedral angles by comparing experimentally determined {sup 13}C{sub a}, chemical-shift anisotropies with theoretical calculations is presented, along with a brief description of the theory behind chemical-shift computation in proteins and peptides. The utility of the Spin-Polarization Induced Nuclear Overhauser Effect (SPINOE) to selectively enhance NMR signals in solution is examined in a variety of systems, as are methods for extracting structural information from cross-relaxation rates that can be measured in SPINOE experiments. Techniques for the production of supercritical and liquid laser-polarized xenon are discussed, as well as the prospects for using optically pumped xenon as a polarizing solvent. In addition, a detailed study of the structure of PrP 89-143 is presented. PrP 89-143 is a 54 residue fragment of the prion proteins which, upon mutation and aggregation, can induce prion diseases in transgenic mice. Whereas the structure of the wild-type PrP 89-143 is a generally unstructured mixture of {alpha}-helical and {beta}-sheet conformers in the solid state, the aggregates formed from the PrP 89-143 mutants appear to be mostly {beta}-sheet.

Laws, David D.

2000-06-01T23:59:59.000Z

472

Silicon technology compatible photonic molecules for compact optical signal processing  

SciTech Connect

Photonic molecules (PMs) based on multiple inner coupled microring resonators allow to surpass the fundamental constraint between the total quality factor (Q{sub T}), free spectral range (FSR), and resonator size. In this work, we use a PM that presents doublets and triplets resonance splitting, all with high Q{sub T}. We demonstrate the use of the doublet splitting for 34.2?GHz signal extraction by filtering the sidebands of a modulated optical signal. We also demonstrate that very compact optical modulators operating 2.75 times beyond its resonator linewidth limit may be obtained using the PM triplet splitting, with separation of ?55?GHz.

Barea, Luis A. M., E-mail: barea@ifi.unicamp.br; Vallini, Felipe; Jarschel, Paulo F.; Frateschi, Newton C. [Device Research Laboratory, Applied Physics Department, “GlebWataghin” Physics Institute, University of Campinas–UNICAMP, 13083-859 Campinas, SP (Brazil)] [Device Research Laboratory, Applied Physics Department, “GlebWataghin” Physics Institute, University of Campinas–UNICAMP, 13083-859 Campinas, SP (Brazil)

2013-11-11T23:59:59.000Z

473

Vacuum ultraviolet photoionization and photodissociation of polyatomic molecules and radicals  

SciTech Connect

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

474

Spectroscopic and dynamical studies of highly energized small polyatomic molecules  

SciTech Connect

The authors have initiated a program to perform spectroscopic and dynamic studies of small molecules. Large amplitude motions in excited acetylene were discussed along with plans to record the dispersed fluorescence (DF) and the stimulated emission pumping (SEP) spectra. SEP spectra were reported for the formyl radical. A Fourier transform spectrometer was discussed with respect to its ability to probe the structure of radicals. This instrument is capable of performing studies using various techniques such as magnetic rotation spectroscopy and sub-Doppler sideband-OODR Zeman (SOODRZ) spectroscopy.

Field, R.W.; Silbey, R.J. [Massachusetts Institute of Technology, Cambridge (United States)

1993-12-01T23:59:59.000Z

475

Numerically Solvable Model for Resonant Collisions of Electronswith Diatomic Molecules  

SciTech Connect

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

476

Photo-double-ionization of the nitrogen molecule  

Science Journals Connector (OSTI)

The triple differential cross sections of the photo-double-ionization of the nitrogen molecule to the X 1?+g and a3?u N22+ states have been measured at about 20 eV above their respective ionization thresholds in the equal energy sharing kinematics and calculated using a model which makes use of correlated two-center double continuum wave functions. The comparison of the results with those obtained by the Gaussian parametrization method applied in the past with success to heliumlike targets shows the influence of the molecular nature of the N2 target in the photo-double-ionization.

P. Bolognesi; B. Joulakian; A. A. Bulychev; O. Chuluunbaatar; L. Avaldi

2014-05-07T23:59:59.000Z

477

Theory of Inelastic Electric Current through Single Molecules  

Science Journals Connector (OSTI)

An electronic structure theory has been developed for an inelastic electric current of electron-intramolecular vibration coupling origin in terms of the Keldysh Green function method and the self-consistent Born approximation. Numerical calculations were made for the benzenedithiol molecule linking the two Au(111) electrodes. The calculations successfully reproduce typical features commonly observed in inelastic tunneling spectroscopy. The vibrational excitation energy due to the inelastic current was estimated. The inelastic electric current is quite important for the structural stability and the switching possibility of the molecular device.

Yoshihiro Asai

2004-12-10T23:59:59.000Z

478

Single Molecule Acid-Base Kinetics and Thermodynamics  

Science Journals Connector (OSTI)

We report a method in which temperature dependent single-molecule fluorescence measurements are used to study the kinetics and thermodynamics of the acid-base interaction in films of photoresist polymer. We use the two distinct fluorescent prototropic forms of Coumarin 6 (C6?C6+) to indicate the state of the acid-base system. Data are analyzed using a statistical model of the intensity probability distributions, yielding temperature dependent proton exchange rates, which is confirmed through agreement with a simple two-state Monte Carlo model. The temperature dependent rates are used to calculate the activation enthalpy for proton exchange.

Michael D. Mason; Krishanu Ray; Robert D. Grober; Gerd Pohlers; James Cameron

2004-08-13T23:59:59.000Z

479

Single-Molecule Measurements of Gold-Quenched Quantum Dots  

Science Journals Connector (OSTI)

We report the study of the quenching of quantum dots (CdSe) by gold nanoparticles at the single-molecule level. Double-stranded DNA is used as a rigid spacer to tune the distance between the two nanoparticles. The width of the fluorescent intensity distribution, monitored at different interparticle distances, reflects both the nanoparticle heterogeneity and the fluorescence intermittency of the quantum dot. The fluorescence distribution emitted by single CdSe nanocrystals can easily be distinguished from the fluorescence of partially quenched CdSe. Our results show that the distance-dependence quenching is compatible with a Förster-type process.

Zoher Gueroui and Albert Libchaber

2004-10-15T23:59:59.000Z

480

A Survey of Single-Molecule Techniques in Chemical Biology  

Science Journals Connector (OSTI)

A Survey of Single-Molecule Techniques in Chemical Biology ... ; Fluorescence resonance energy transfer (FRET): When a fluorescent dye (donor) is excited by a light source, energy can be transferred nonradiatively to another dye (acceptor), which is within ?2–8 nm. ... Colors correspond to different regions of the template construct with the rpoB gene in green, the restriction sites in light blue, the regulatory pause region in pink, and the ops and his pause sites in dark gray and light gray, respectively. ...

Peter V. Cornish; Taekjip Ha

2007-01-19T23:59:59.000Z

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.


481

Deaths Involving MDMA and the Concomitant Use of Pharmaceutical Drugs  

Science Journals Connector (OSTI)

......are associated with chronic abuse resulting in chronic heart disease...maceutical drug, usually young males concurrently using ec...Micromedex Healthcare Series [Internet database]. 19742010. 20...Postmortem toxicology of drugs of abuse. Forensic Sci. Int. 142......

J.L. Pilgrim; D. Gerostamoulos; Olaf H. Drummer

2011-05-01T23:59:59.000Z

482

Progress toward a Colon Targeting Nanoparticle Based Drug Delivery System  

E-Print Network (OSTI)

Hydrophobic drug paclitaxel nanoparticles (PAX NPs) and pH sensitive hydrogels were prepared in this study to build a colon targeting nanoparticle based drug delivery system for oral administration. Negative charged PAX NPs at the size of 110...

Yu, Xiao

2012-07-16T23:59:59.000Z

483

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

484

Energy Metabolism and Drug Efflux in Mycobacterium tuberculosis  

Science Journals Connector (OSTI)

...May 2014 review-article Minireview Energy Metabolism and Drug Efflux in Mycobacterium...availability of ATP. This suggests that energy metabolism and ATP production through...We also highlight the importance of energy metabolism in mediating drug tolerance...

Philippa A. Black; Robin M. Warren; Gail E. Louw; Paul D. van Helden; Thomas C. Victor; Bavesh D. Kana

2014-03-10T23:59:59.000Z

485

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

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

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

486

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

NLE Websites -- All DOE Office Websites (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...

487

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

NLE Websites -- All DOE Office Websites (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...

488

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

NLE Websites -- All DOE Office Websites (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...

489

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

NLE Websites -- All DOE Office Websites (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...

490

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

NLE Websites -- All DOE Office Websites (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...

491

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

NLE Websites -- All DOE Office Websites (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...

492

Sexuality Under the Influence: The Queer Pleasures of Illicit Drugs in Transatlantic Gay and Lesbian Culture  

E-Print Network (OSTI)

of Illicit Drugs in Transatlantic Gay and Lesbian Culture Aof Illicit Drugs in Transatlantic Gay and Lesbian Culture byof Illicit Drugs in Transatlantic Gay and Lesbian Culture

Randolph, Patrick

2011-01-01T23:59:59.000Z

493

PET IMAGING STUDIES IN DRUG ABUSE RESEARCH.  

SciTech Connect

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

494

Priming the Pump in the Fight against Drug-Resistant Tuberculosis |  

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

The Ties that Bind Metals to Proteins The Ties that Bind Metals to Proteins A Novel Nanobio Catalyst for Biofuels Multiple Crystal Cavities for Unlimited X-ray Energy Resolution and Coherence An Intriguing Twist in the Structure of a Cobalt Oxide Catalyst Breaking Records in Neurological Microradiology Science Highlights Archives: 2013 | 2012 | 2011 | 2010 2009 | 2008 | 2007 | 2006 2005 | 2004 | 2003 | 2002 2001 | 2000 | 1998 | Subscribe to APS Science Highlights rss feed Priming the Pump in the Fight against Drug-Resistant Tuberculosis SEPTEMBER 11, 2012 Bookmark and Share This ribbon diagram shows the crystal structure of the asymmetric, two-part regulator molecule Rv3066. Each subunit of Rv3066 is composed of nine α helices. Helices α1-α9 (left subunit) and α1'-α9' (right subunit) are labeled. Helices α4 through α9 contribute to the region involved in

495

Drug-Free Federal Workplace Testing Implementation Program  

Directives, Delegations, and Requirements

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

496

Division of Human Resources Alcohol & Drug Testing (CDL)  

E-Print Network (OSTI)

Division of Human Resources Alcohol & Drug Testing (CDL) Definitions of Terms Employee Relations/Alcohol & Drug Testing (CDL) Questions: (813) 974-2970 Rev. 12/2008 The definitions listed below are for common words/phrases used in the alcohol and drug testing procedures. Accident - An occurrence associated

Meyers, Steven D.

497

The University of Mississippi Drug and Alcohol Testing  

E-Print Network (OSTI)

The University of Mississippi Drug and Alcohol Testing Summary/Purpose: In furtherance of the University's interest to maintain a drug-free workplace, the University reserves the right to test any of the University's interest to maintain a drug-free workplace, the University reserves the right to test any

Tchumper, Gregory S.

498

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

499

Gas Phase Moleculer Dynamics (GPMD) Group | Chemistry Department |  

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

Research Program Research Program The research within the Gas Phase Molecular Dynamics program spans spectroscopy, kinetics and dynamics, with input from both experiment and theory. The broad topics of recent and current focus are Development of new spectroscopic methods to probe transient molecules of importance to combustion Application of these methods to collisional dynamics and kinetics Theoretical predictions of vibrational spectra of small molecules and radicals Development and use of computational methods in reaction kinetics and dynamics, optimizing accuracy and efficiency to the size of the problem The group has long experience in the application of transient frequency modulation (FM) spectroscopy methods for probing radicals, and using this method for polarized photofragment Doppler spectroscopy and kinetics. More recently, FM applications in double resonance have been developed for spectral simplification and assignments, and for saturation recovery and transfer kinetics to study collisional energy and polarization transfer. Sub-Doppler saturation methods with FM probing have recently been applied to a variety of nuclear hyperfine structure problems in spectroscopy and dynamics. Frequency comb-stabilized diode lasers in the near infrared have been used for highly precise frequency-domain measurements of pressure broadening and line shape studies of collision effects.

500

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