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Energy Technology Data Exchange (ETDEWEB)

The buckling behaviors of double-walled carbon nanotubes (DWCNTs) under torsion are investigated by using molecular dynamics (MD) simulations. The effect of length on the torsional buckling behaviors of DWCNTs is examined for the first time. The simulation results show that the DWCNTs experience gradual or simultaneous buckling deformations depending on their lengths. In addition, the effect of the inner tube in a DWCNT on its torsional buckling behavior is also examined. The presence of the inner tube triggers van der Waals (vdW) interactions between it and the outer tube and thus leads to a stiffening effect of the DWCNT against torsional deformation. Whether the ends of the inner tube are free or fixed and whether it is subject to a torque or not, the critical torque and the critical torsional angle of the outer tube are only marginally affected.

British Library Electronic Table of Contents (United Kingdom)

A highly sensitive and stable tris(2,2prime-bipyridyl)ruthenium(II) (Ru(bpy)32+) electrogenerated chemiluminescence (ECL) sensor was developed based on carbon nanotube (CNT) dispersed in mesoporous composite films of sol-gel titania and perfluorosulfonated ionomer (Nafion). Single-wall (SWCNT) and multi-wall carbon nanotubes (MWCNT) can be easily dispersed in the titania-Nafion composite solution. The hydrophobic CNT in the titania-Nafion composite films coated on a glassy carbon electrode certainly increased the amount of Ru(bpy)32+ immobilized in the ECL sensor by adsorption of Ru(bpy)32+ onto CNT surface, the electrocatalytic activity towards the oxidation of hydrophobic analytes, and the electronic conductivity of the composite films. Therefore, the present ECL sensor based on the CNT-...

British Library Electronic Table of Contents (United Kingdom)

Abstract Dispersions of single-walled carbon nanotubes (SWNTs) in various surfactant solutions have been systematically evaluated as additives in MEEKC. The compounds examined were catechins, phenolic acids, and flavonoids. Compared with zwitterionic and neutral surfactants, the addition of anionic dispersion seemed to be better at separating the three types of analytes in microemulsion system. In order to achieve low operating currents, an in situ-synthesized surfactant system based on the combination of a long-chain alkyl acid with an organic base was used in MEEKC. The optimized buffer contained 0.5% (57-mM) ethyl acetate, 0.6% (30-mM) lauric acid, 4.0% (666-mM) propanol, 50-mM Tris solution, and 4.5-mg/L the dispersion of SWNTs. Under optimized conditions, the established method was ap...

Science.gov (United States)

Understanding the influence of interfacial structures on the nanoarchitecture mechanical properties is of particular importance for its mechanical applications. Due to a small size of constituting nanostructural units and a consequently high volume ratio of such interfacial regions, this question becomes crucial for the overall mechanical performance. Boron nitride bamboo-like nanotubes, called hereafter boron nitride nanobamboos (BNNBs), are composed of short BN nanotubular segments with specific interfaces at the bamboo-shaped joints. In this work, the mechanical properties of such structures are investigated by using direct in situ transmission electron microscopy tensile tests and molecular dynamics simulations. The mechanical properties and deformation behaviors are correlated with the interfacial structure under atomic resolution, and a geometry strengthening effect is clearly demonstrated. Due to the interlocked joint interfacial ...

Science.gov (United States)

Simple and low cost biosensor based on screen-printed electrode for sensitive detection of some alkylphenols was developed, by entrapment of HRP in a nanocomposite gel based on single-walled carbon nanotubes (SWCNTs) and 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF(6)]) ionic liquid. Raman and FTIR spectroscopy, CV and EIS studies demonstrate the interaction between SWCNTs and ionic liquid. The nanocomposite gel, SWCNT-[BMIM][PF(6)] provides to the modified sensor a considerable enhanced electrocatalytic activity toward hydrogen peroxide reduction. The HRP based biosensor exhibits high sensitivity and good stability, allowing a detection of the alkylphenols at an applied potential of -0.2V vs. Ag/AgCl, in linear range from 5.5 to 97.7?M for 4-t-octylphenol and respectively, between 5.5 and 140?M for 4-n-nonylphenol, with a response time of about 5s. The detection limit was 1.1?M for ...

International Nuclear Information System (INIS)

We estimate the optimum electric field at the sheath edge and the minimum interval among the nanotubes to promote the growth of armchair-type nanotubes (metallic character) as a function of the tube length. On the basis of the electric charge distribution in a nanotube and the optimum electric filed E*_1 at the tip of a nanotube evaluated using the Hueckel-Poisson method, we calculate the structure of the electric field lines outside a nanotube in the sheath region. As the tube length increases, the E*_1 decreases. To maintain the chemical activity at the tip, the sheath electric field must be decreased. We show the decreasing rate of the sheath field to the tube length.

British Library Electronic Table of Contents (United Kingdom)

Dye-sensitized solar cells (DSSCs) based on anatase TiO2 hollow spheres (TiO2HS)/multi-walled carbon nanotubes (CNT) nanocomposite films are prepared by a directly mechanical mixing and doctor blade method. The prepared samples are characterized by scanning electron microscopy, transmission electron microscopy, X-ray diffraction, UV-vis absorption spectroscopy and N2 adsorption-desorption isotherms. The photoelectric conversion performances of the DSSCs based on TiO2HS/CNT composite film electrodes are also compared with commercial-grade Degussa P25 TiO2 nanoparticles (P25)/CNT composite solar cells at the same film thickness. The results indicate that the photoelectric conversion efficiencies () of the TiO2HS/CNT composite DSSCs are dependent on CNT loading in the electrodes. A small amou...

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Science.gov (United States)

Natural bone consists of hard nanostructured hydroxyapatite (HA) in a nanostructured protein-based soft hydrogel template (ie, mostly collagen). For this reason, nanostructured HA has been an intriguing coating material on traditionally used titanium for improving orthopedic applications. In addition, helical rosette nanotubes (HRNs), newly developed materials which form through the self-assembly process of DNA base pair building blocks in body solutions, are soft nanotubes with a helical architecture that mimics natural collagen. Thus, the objective of this in vitro study was for the first time to combine the promising attributes of HRNs and nanocrystalline HA on titanium and assess osteoblast (bone-forming cell) functions. Different sizes of nanocrystalline HA were synthesized in this study through a wet chemical precipitation process following either hydrothermal treatment or sintering. Transmission ...

British Library Electronic Table of Contents (United Kingdom)

Although the outer surface of single-walled carbon nanotubes (atomically thin cylinders of carbon) can be involved in a wide range of chemical reactions, it is generally thought that the interior surface of nanotubes is unreactive. In this study, we show that in the presence of catalytically active atoms of rhenium inserted into nanotubes, the nanotube sidewall can be engaged in chemical reactions from the inside. Aberration-corrected high-resolution transmission electron microscopy operated at 80?keV allows visualization of the formation of nanometre-sized hollow protrusions on the nanotube sidewall at the atomic level in real time at ambient temperature. Our direct observations and theoretical modelling demonstrate that the nanoprotrusions are formed in three stages: (i) metal-assisted d...

Energy Technology Data Exchange (ETDEWEB)

A highly sensitive and stable tris(2,2'-bipyridyl)ruthenium(II) (Ru(bpy){sub 3} {sup 2+}) electrogenerated chemiluminescence (ECL) sensor was developed based on carbon nanotube (CNT) dispersed in mesoporous composite films of sol-gel titania and perfluorosulfonated ionomer (Nafion). Single-wall (SWCNT) and multi-wall carbon nanotubes (MWCNT) can be easily dispersed in the titania-Nafion composite solution. The hydrophobic CNT in the titania-Nafion composite films coated on a glassy carbon electrode certainly increased the amount of Ru(bpy){sub 3} {sup 2+} immobilized in the ECL sensor by adsorption of Ru(bpy){sub 3} {sup 2+} onto CNT surface, the electrocatalytic activity towards the oxidation of hydrophobic analytes, and the electronic conductivity of the composite films. Therefore, the present ECL sensor based on the CNT-titania-Nafion showed improved ECL sensitivity for tripropylamine (TPA) ...

Science.gov (United States)

... 1981. Retention of diphenyls, terphenyls, phenylalkanes and fluorene on graphitized thermal carbon black. Chromatographia 14:510-514. ...

Science.gov (United States)

One of the major problems associated with solid waste processing technologies is the release of

UK PubMed Central (United Kingdom)

Voxel-based prescriptions of deliberately non-uniform dose distributions based on molecular imaging, so-called dose painting or theragnostic radiation therapy, require specification of a transformation...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundMolecular genetic studies of Bombyx mori have led to profound advances in our understanding of the regulation of development. Bombyx mori brain,...Full Text Available

International Nuclear Information System (INIS)

The electrochemical treatment of solutions containing C.I. Basic Yellow 2 (BY2) in aqueous solutions with carbon-PTFE (polytetrafluoroethylene) and carbon nanotube (CNT)-PTFE electrodes as cathode has been studied. The fabricated electrodes were characterized by scanning electron microscopy (SEM) and atomic force microscopy (AFM). The amount of electrogenerated H2O2 on the surface of these electrodes was investigated, too. The results showed that the amount of H2O2 obtained with the CNT-PTFE electrode was nearly three times higher than that of carbon-PTFE electrode. The decolorization efficiency of BY2 in peroxi-coagulation process reached 62% and 96% in the first 10 min by carbon-PTFE and CNT-PTFE electrodes at 100 mA, respectively. The effect of operational parameters such as applied current, initial pH and initial dye concentration was studied in an attempt to reach higher decolorization efficiency. The degradation and mineralization of BY2 using CNT-PTFE ...

Energy Technology Data Exchange (ETDEWEB)

Molecular imaging represents a modern research area that allows the in vivo study of molecular biological process kinetics using appropriate probes and visualization methods. This methodology may be defined- apart from the contrast media injection - as non-abrasive. In order to reach an in vivo molecular process imaging as accurate as possible the effects of the used probes on the biological should not be too large. The contrast media as important part of the molecular imaging can significantly contribute to the understanding of molecular processes and to the development of tailored diagnostics and therapy. Since more than 15 years PTB is developing optic imaging systems that may be used for fluorescence based visualization of tissue phantoms, small animal models and the localization of tumors and their predecessors, and for the early recognition of inflammatory ...

Science.gov (United States)

The first candidate rotavirus vaccine was a live attenuated oral vaccine made by the classical empirical method of serial passage of virus in tissue culture cells. Current tetravalent vaccine candidates that are in the final stages of efficacy testing in the United States were made by genetic reassortment. This article briefly highlights how advances in the basic understanding of the molecular biology of rotaviruses have facilitated vaccine development. New approaches for second-generation vaccines and improvements in vaccine efficacy based on further exploitation of the tools and knowledge of rotavirus molecular biology and pathogenesis are discussed. PMID:8752289

Energy Technology Data Exchange (ETDEWEB)

To establish a relationship between the molecular structure of polycarboxylates and their growth-retarding influence on barium sulfate, seeded-suspension-growth experiments were performed at various inhibitor concentrations and pH values. Two types of polycarboxylates with a molecular structure based on their polyacrylic or maleic acid were studied. The molecular structure of these compounds were varied by particle substitution with monomers containing hydroxyl, amide, and sulfonic acid, as well as hydrophobic groups. Hydrophobic groups are detrimental to good inhibitor performance, whereas the introduction of OH, NH {sub 2}, or SO {sub 3} H groups presents opportunities to enhance the inhibitor effectiveness. The sequence in performance of the compounds on barium sulfate was compared with the sequence formerly obtained for calcium sulfate dihydrate.

UK PubMed Central (United Kingdom)

The sequence-dependent structural variability and conformational dynamics of DNA play pivotal roles in many biological milieus, such as in the site-specific binding of transcription factors to target...Full Text Available

Science.gov (United States)

The dissimilatory metal reducing bacterium Shewanella sp. strain HN-41 was first reported to produce novel photoactive As-S nanotubes via reduction of As(V) and S(2)O(3)(2-) under anaerobic conditions. Here we report the draft genome sequence and annotation of strain HN-41. PMID:21868804

Energy Technology Data Exchange (ETDEWEB)

Desorption behavior of pyrene, phenanthrene and naphthalene from fullerene, single-walled carbon nanotubes (SWCNTs) and multi-walled carbon nanotubes (MWCNTs) was examined. Available adsorption space of carbon nanotubes (CNTs) was found to be the cylindrical external surface, neither the inner cavities nor inter-wall spaces due to impurities in the CNTs and restricted spaces (0.335 nm) of the MWCNTs, respectively. Desorption hysteresis was observed for fullerene but not for CNTs. Deformation-rearrangement was proposed to explain the hysteresis of polycyclic aromatic hydrocarbons (PAHs) for fullerene, due to the formation of closed interstitial spaces in spherical fullerene aggregates. However, long, cylindrical carbon nanotubes could not form such closed interstitial spaces in their aggregates due to their length, thus showing no significant hysteresis. High adsorption capacity and reversible adsorption ...

International Nuclear Information System (INIS)

This paper shows how molecular theory paves the way for accelerated aging tests of safety-related equipment in nuclear power plants, as required by NRC qualification programs. Arrhenius' model, based on an equation, provides useful information regarding the extent of molecular change as a function of time and temperature. Critical to determining the aging characteristics and qualified life of organic materials is the activation energy concept, which is derived from information gathered when the molecular reaction of the material is documented over the entire life cycle. In accelerated-aging applications, the importance of the model lies in characterizing the chemical related reactions of materials. The problem with the Arrhenius approach is that, in generating a testing period of reasonable duration, a rather high test temperature must be selected which may lead to an added and unrelated environmental ...

Environmental Research Database

Objectives1. We will use reduction of lysosomal stability as an indicator of cell injury induced by C-60 fullerenes and carbon nanotubes in the liver analogue or digestive gland (hepatopancreas) of marine mussels. Molluscan hepatopancreatic digestive cells are key to normal function and are a sensitive key interface with the environment. Reduction of lysosomal stability is mechanistically linked with impaired health of the whole animal. 2. We will also test the hepatopancreatic digestive cells for evide [continued...]DescriptionNanotechnology is a major innovative scientific and economic growth area, which may present a variety of hazards for environmental and human health. The surface properties and very small size of nanoparticles and nanotubes provides surfaces that may bind and transport toxic chemical pollutants, as well as possibly being toxic in their own right by generating reactive oxygen species (ROS). There is a wealth of evidence ...

British Library Electronic Table of Contents (United Kingdom)

The increasing environmental concern and promotion of ''green processes'' are forcing the substitution of traditional acid and base homogeneous catalysts by solid ones. Among these heterogeneous catalysts, zeolites and zeotypes can be considered as real ''green'' catalysts, due to their benign nature from an environmental point of view. The importance of these inorganic molecular sieves within the field of heterogeneous catalysis relies not only on their microporous structure and the related shape selectivity, but also on the flexibility of their chemical composition. Modification of the zeolite framework composition results in materials with acidic, basic or redox properties, whereas multifunctional catalysts can be obtained by introducing metals by ion exchange or impregnation procedures...

UK PubMed Central (United Kingdom)

Tubular membrane structures are widespread in eukaryotic cells, but the mechanisms underlying their formation and stability are not well understood. Previous work has focused on tube extrusion from...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Effects of dopant and coating carbon nanotube on anodic performance of Si were studied for metallic anode Li ion rechargeable battery with large capacity. Although the large Li intercalation capacity higher than 1500mAhg{sup -1} is exhibited on pure Si, it decreased drastically with increasing cycle number. Increasing the electrical conductivity by doping Cr or B is effective for increasing the initial capacity and the cycle stability of Si for Li intercalation. Coating semiconductive Si with the carbon nanotube by decomposition of hydrocarbon is effective for increasing the cycle stability, though the initial Li intercalation capacity slightly decreased. Conducting binder is also important for increasing the cycle stability and it was found that Li intercalation capacity higher than 1500mAhg{sup -1} can be sustained by using poly vinyliden fruolide. Consequently, reversible Li intercalation capacity of 1500mAhg{sup -1} was successfully ...

International Nuclear Information System (INIS)

In this study, Multi-Walled Carbon Nanotubes (MWCNTs) / Hydroxylapatite (HAp) composites were made to improve mechanical properties by using Spark Plasma Sintering (SPS) method. Slurry 6 mol of CaHPO4#centre dot#2H2O (DCPD), 4 mol calcium hydroxide and MWCNTs were mixed and sintered by using SPS at 5-120 MPa pressure, 1200-1250 deg. C and in vacuum or N2 atmosphere. The fracture toughness of sintered MWCNTs/HAp composites was increased.

Energy Technology Data Exchange (ETDEWEB)

SnO{sub 2}-carbon nanotube (CNT) composite sheets are synthesized using poly(vinylpyrrolidone) to uniformly load a monolayer of SnO{sub 2} nanoparticles onto the surfaces of CNTs and CNT bundles within cross-stacked CNT sheets. When they are used as high-capacity (over 850 mA h g{sup -1}) and binder-free anodes in rechargeable lithium-ion batteries, they exhibit good cycle performance. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Energy Technology Data Exchange (ETDEWEB)

Self-assembled monolayers (SAMs) on various metal, semiconductor or insulator substrates can be easily modified with specific functional groups of interest and have promising applications in surface wetting (hydrophobic/hydrophilic modification), tribology, corrosion protection, sensor electrodes modification, molecular and biomolecular recognition, protein adsorption, cell adhesion, and molecular- or organic-electronic device fabrications. In this paper, we highlight recent progress in the development of SAMs on solid substrates as well as their practical applications, with particular emphasis on the characterization of self-assembled aromatic thiol monolayers with different functional groups on Au(1 1 1) using synchrotron-based photoemission spectroscopy and near-edge X-ray absorption fine structure measurements. The SAM-related molecular orientation, electronic structures, and chemical bonding are ...

CERN Document Server

We investigate the possibility of producing the $\\omega\\phi$ threshold enhancement recently observed in the $J\\psi\\to\\gamma X(1812),~X(1812)\\to\\omega\\phi$ at BES by assuming the X(1812) to be a candidate of $(K^{*}\\bar K^{*0})$ molecular state. We evaluate the decay rate of $X(1812)\\to\\eta\\eta', \\eta\\eta, \\omega\\phi, K^+K^-, \\rho^+\\rho^-$, $\\omega\\omega, K^{*+}K^{*-}$ and $\\pi^+\\pi^-$ based on the X(1812) to be a candidate of $(\\ksks)$ molecule. It turns out the X(1812) dominantly decays into $\\eta\\eta'$ and $\\eta\\eta$. These channels are suggested to be the laboratory to test the molecular scenario in experiment. We also evaluate the branching fraction $Br(X\\to\\omega\\phi)\\simeq 4.60%$. However, the X(1812) has small branching fractions to decay into other $VV$ or $PP$ final states, from which it seems to be consistent with the experimental observation. In the molecular ...

CERN Document Server

We study the evolution of the cold gas content of galaxies by splitting the interstellar medium into its atomic and molecular hydrogen components, using the galaxy formation model GALFORM in the LCDM framework. We calculate the molecular-to-atomic hydrogen mass ratio, H2/HI, in each galaxy using two different approaches; the pressure-based empirical relation of Blitz & Rosolowsky and the theoretical model of Krumholz, McKeee & Tumlinson, and apply them to consistently calculate the star formation rates of galaxies. We find that the model based on the Blitz & Rosolowsky law predicts an HI mass function, CO(1-0) luminosity function, correlations between the H2/HI ratio and stellar and cold gas mass, and infrared-CO luminosity relation in good agreement with local and high redshift observations. The HI mass function evolves weakly with redshift, with the number density of high mass galaxies ...

UK PubMed Central (United Kingdom)

We report a pH-dependent conformational transition in short, defined homopolymeric deoxyadenosines (dA₁₅) from a single helical structure with stacked nucleobases at neutral pH to a double-helical,...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Threshold pump intensity values leading to irreversible damage to colored laser elements based on elastic polymers were measured. The damage to colored elastomers is connected with absorbing microinclusions but is independent of molecular absorption. It is shown that damage to the elastomers has a pronounced threshold character in contrast to the microdamage accumulation effect in glassy polymers. The damage threshold for elastomers is 1.5 times higher, which is connected with the absence of microstresses (characteristics for organic glasses) in the specimens. 13 references.

Energy Technology Data Exchange (ETDEWEB)

We present a formulation of ab initio electronic structure calculations in a finite magnetic field, which retains the simplicity and efficiency of techniques widely used in first principles molecular dynamics simulations, based on plane-wave basis sets and Fourier transforms. In addition we discuss results obtained with this method for the energy spectrum of interacting electrons in quantum wells, and for the electronic properties of dense fluid deuterium in a uniform magnetic field.

Science.gov (United States)

DNA isolation procedures significantly influence the outcome of PCR-based detection of human pathogens. Unlike clinical samples, DNA isolation from food samples such as fresh and fresh-cut produce has remained a formidable task and has hampered the sensitivity and accuracy of molecular methods. We...

British Library Electronic Table of Contents (United Kingdom)

Abstract Mitochondrial ribosomal gene sequences were used to investigate the status of several populations of hydromedusae belonging to the genus Turritopsis (family Oceaniidae). Several nominal species have been described for this genus, but most of them had been synonymized and attributed to one cosmopolitan species, Turritopsis nutricula. A recent revision based on morphological and reproductive characters, however, has shown that many different populations can be distinguished and that several of the nominal Turritopsis species are likely valid biological species. Our investigation using molecular sequence data of 16S mitochondrial gene confirms these results. The Mediterranean Turritopsis must be attributed to Turritopsis dohrnii and the Turritopsis of New Zealand must be referred to ...

International Nuclear Information System (INIS)

The corrosion resistance of molybdenum, molybdenum disilicide, and a SiC_(_p_)/Al_2O_3 composite to molten E-glass at 1,550 C was studied. Mo showed no tendency to oxidize as it was immersed in soda-lime silicate glass in a parallel study. MoSi_2 was corroded by soluble molecular oxygen, leaving a Mo_5Si_3 interface behind. The SiC_(_p_)/Al_2O_3 composite was corroded at a more rapid rate wherein the SiC component was oxidized to form amorphous silica and CO bubbles. Based on these results, the activity of soluble molecular oxygen in E-glass was determined to be in the range of 2.4 x 10"-"1"4 to 2.0 x 10 "-"8.

British Library Electronic Table of Contents (United Kingdom)

In this Letter, we present Quantum Mechanics/Molecular Mechanics (QM/MM) calculations on molecules containing a 2-deoxycytidine-3prime-monophosphate moiety (3prime-dCMPH). In particular, we examine the effect that including neighbouring nucleotides at the Molecular Mechanic (MM) level has on the calculated electron affinities and on the energetic barriers of the C3prime-O3prime bond cleavage. Our results demonstrate that the surrounding nucleotides relocate the excess electron from the p* orbital of the base to a diffuse phosphate-centred orbital, leading to the formation of a dipole-bound anion state. Both the electron affinities and the activation energy of C3prime-O3prime bond cleavage are strongly increased.

Science.gov (United States)

AlGaInP-based quantum-well laser diodes operating at wavelengths near 680 nm have been grown by all solid source molecular beam epitaxy (SSMBE). The lowest room temperature threshold current densities obtained from shallow rid structures were 300 A/cm{sup 2} and 330 A/cm{sup 2} for pulsed and continuous wave operation, respectively. The dependences of the differential quantum efficiency and threshold current density on the cavity length were also studied in this preliminary SSMBE work. The internal quantum efficiency of 87--89% and the internal losses of 7--10 cm{sup {minus}1} were obtained.

Science.gov (United States)

A means of determination of a ctive hydrogen of hydroxyl, carboxyl, sulfhydryl, amino, amido and sulfonamido groups by chemical ionization mass spectrometry using ammonia and trideuterioammonia as reagent gases is described. The method is based on exchange of active hydrogen for deuterium occurring during the chemical ionization process using trideuterioammonia, with comparison of m/z for ammonium adduct [M + NH1]+ and trideuterioammonium adduct [M--nH + nD + ND4]+, or of protonated molecular ion [M + H]+ and deuteronated molecular ion [M--nH + nD + D]+ yielding the number of active hydrogens. Applications have been made to several classes of biologically important compounds. PMID:427257

Energy Technology Data Exchange (ETDEWEB)

We tried to apply a quartz crystal as a sensor by using the resonant frequency and the resistance properties of quartz crystals. Four kinds of fatty acids that have the same head groups were coated on the surfaces of the quartz crystals, and the shift of the resonant frequency and the resistance were observed based on the lengths of the tail groups. Myristic acid (C{sub 14}), palmitic acid (C{sub 16}), stearic acid (C{sub 18}), and arachidic acid (C{sub 20}) were deposited on the surfaces of quartz crystals by using the Langmuir-Blodgett (LB) method. As a result, the resonant frequency change was more sensitive to high molecular-weight fatty acids than to low molecular-weight ones. We also observed the effect of temperature on stearic acid LB films, and the response properties of quartz crystals coated with stearic-acid LB films to organic gases were investigated. As a result, the sensitivity of quartz crystals to organic ...

Energy Technology Data Exchange (ETDEWEB)

The computer aided coal structure construction system is proposed, and a computational construction example is presented. The coal structure construction engine of this system fabricates molecular structure by connecting fragments sequentially inputted through a user interface. The best structure candidate is determined using construction knowledge and partial energy evaluation every addition of one fragment, and this process is subsequently repeated. The structure evaluation engine analyzes the 3-D conformation candidate by molecular dynamics, and evaluates the conformation by determining the energy value of an optimum structure. As an example, this system was applied to construction of coal molecular structure based on the actual data of partial structure composed of 26 structures from 2l kinds of aromatic cluster structures, 27 bonds from 2 kinds of bridged bonds, and 16 groups from 2 kinds of ...

Energy Technology Data Exchange (ETDEWEB)

Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, we used as constraints ...

Energy Technology Data Exchange (ETDEWEB)

Multi-walled carbon nanotubes (MWNTs) were modified with poly(hexamethylene adipamide) (also known as Nylon 66) via a controlled polymer solution crystallization method. A 'nanohybrid shish kebab' (NHSK) structure was found wherein the MWNT resembled the shish while Nylon 66 lamellar crystals formed the kebabs. These Nylon 66-functionalized MWNTs were used as precursors to prepare polymer/MWNT nanocomposites. Excellent dispersion was revealed by optical and electron microscopies. Nitric acid etching of the nanocomposites showed that MWNT formed a robust network in Nylon 66. Non-isothermal DSC results showed multiple melting peaks, which can be attributed to lamellar thickness changes upon heating. The crystallite sizes L{sub 100} and L{sup 010} of Nylon 66, determined by WAXD, decreased with increasing MWNT contents. Isothermal DSC results showed that crystallization kinetics increased first and then decreased with increasing MWNT contents in ...

Energy Technology Data Exchange (ETDEWEB)

Functionalization of carbon nanotubes is very challenging for their applications. The paper here describes a new method to functionalize multi-walled carbon nanotubes (MWCNTs) as specific affinity adsorbents. MWCNTs were acid purified and pretreated with (3-aminopropyl)-triethoxysilane (APTES) in order to introduce abundant amino groups on the surface of MWCNTs. After the conversion of amino groups to carboxyl groups by succinic acid anhydride, MWCNTs were attached to protein A or aminodextran using 1-ethyl-3,3' (dimethylamion)-propylcarbodiimide as a biofunctional crosslinker. The incorporation of aminodextran as a spacer arm noticeably increased the binding capacity of the APTES-modified MWCNTs for protein A. The application of affinity MWCNTs for purification of immunoglobulin G was then evaluated. The affinity of MWCNTs with AMD spacer exhibited a high adsorption capacity of {approx}361 {mu}g IgG/mg MWCNT (wet basis). About 75% of ...

Energy Technology Data Exchange (ETDEWEB)

New oxomolybdenum(V) complexes MoOClL (where LH/sub 2/ = Schiff base) derived from ethanolamine and salicylaldehyde, 5-chlorosalicylaldehyde, 5-bromosalicylaldehyde, 5-nitrosalicylaldehyde, 3-ethoxysalicylaldehyde and 2-hydroxy-1-naphthaldehyde have been synthesized and characterised by elemental analyses, conductance, molecular weight, I.R. and electronic spectra and magnetic measurements. The Schiff bases behave as dibasic tridentate ONO donor ligands. The complexes are non-electrolytes and dimers. The complexes exhibit subnormal magnetic moments and are involved in antiferromagnetic exchange with S = 0 ground state. The complexes exhibit electronic spectral bands at ca. 13000 and ca. 17000 cm/sup -1/ due to the transitions dsub(xy)- > dsub(xz,yz) (/sup 2/B/sub 2/- > /sup 2/E) and dsub(xy)- > dsub(x2-y2) (/sup 2/B/sub 2/- > /sup 2/B/sub 1/), respectively. The ..nu..(Mo = O) frequency of the complexes is ...

Science.gov (United States)

Genetics, Genomics, and Molecular Biology USGS scientists develop and integrate new genetic and molecular techniques into systematic analyses to describe individuals and populations of fish .....

British Library Electronic Table of Contents (United Kingdom)

Solid-phase extraction and gas chromatography with electron-capture detection has been used for sensitive, simple, and reliable analysis of carfentrazone-ethyl residues in water. Carfentrazone-ethyl was enriched by use of multiwalled carbon nanotubes (MWCNT), a new adsorptive material. Several conditions affecting recovery of the analyte, for example polarity and volume of eluents, pH of water samples, and sample volume, were studied. Recovery from fortified samples, linear range, and limit of detection were evaluated. The results showed that MWCNT are an efficient SPE adsorbent for preconcentration of carfentrazone-ethyl in water. Under the optimized SPE conditions, recovery of carfentrazone-ethyl from fortified water was 81.49?91.08%, with RSD from 1.66 to 8.21%. The limits of detection ...

British Library Electronic Table of Contents (United Kingdom)

Abstract Poly(butylene terephthalate) (PBT) composites containing multiwalled carbon nanotubes (MWCNTs) were prepared using a melt-blending process and used to examine the effects on the composite structure and properties of replacing PBT with acrylic acid-grafted PBT (PBT-g-AA). PBT-g-AA and multihydroxyl-functionalized MWCNTs (MWCNTs-OH) were used to improve the compatibility and dispersibility of the MWCNTs within the PBT matrix. The composites were characterized morphologically using transmission electron microscopy, and chemically using Fourier transform infrared, solid-state 13C NMR and UV-visible absorption spectroscopy. The antibacterial and electrical conductivity properties of the composites were also evaluated. MWCNTs or MWCNTs-OH enhanced the antibacterial activity and electric...

British Library Electronic Table of Contents (United Kingdom)

Abstract Aims: To develop a new nano composite of multi walled carbon nanotubes (MWNTs) with enhanced antimicrobial activity. Methods and Results: A novel antimicrobial nanocomposite [MWNT epilson polylysine (MEPs)] was synthesized via covalent attachment of epilson polylysine on MWNTs with hexamethylene diisocyanate (HDI) as the coupling agent. UV visible spectra and Fourier transform infrared spectra (FT IR) investigations indicate that MEPs is stable, with epilson polylysine leaching effectively eliminated. When compared to MWNTs, the new nano composite MEPs exhibits enhanced antimicrobial activities. In 20 mg l 1 suspensions, significant increases of 72 1, 64 5 and 69% against Escherichia coli, Pseudomonas aeruginosa and Staphylococcus aureus can be observed. The deposited film of MEPs...

British Library Electronic Table of Contents (United Kingdom)

Medium-density polyethylene/multiwall carbon nanotube (MDPE/MWCNT) nanocomposites were produced by a mechanical milling method using a high-energy ball mill. The MDPE and MWCNTs were added to the ball mill at a constant 20:1 weight ratio of ball/powders and milled for 10 h to obtain polyethylene matrix nanocomposites reinforced with 0.5, 1, 2.5, and 5 weight percent of MWCNTs. To clarify the role of both MWCNT content and milling time on the morphology of MDPE, some nanocomposite samples were investigated by using a scanning electron microscope. To evaluate the role of milling on the microstructure of the nanocomposites, very thin films of MDPE/MWCNTs were prepared and studied by transmission electron microscopy. Thermal behavior of these nanocomposites was investigated by using differenti...

British Library Electronic Table of Contents (United Kingdom)

Abstract Electronic structures of two representative zigzag and armchair models of aluminum phosphide nanotube (AlPNT) were investigated by density functional theory calculations. The structures were optimized and the bond lengths, tip diameters, band gaps, and dipole moments were calculated. Moreover, the quadrupole coupling constants (CQ) were calculated for the Al-27 atoms of the optimized structures. The same values of AlP bond lengths were calculated for both models. The larger value of band gap of armchair model than the zigzag model indicated the stronger dielectric property for the former model. The values of CQ(27Al) were the largest for the Al atoms placed at the tips of both zigzag and armchair AlPNT than other Al atoms, which could reveal dominant role of the Al atoms placed at...

KoreaScience (Korea)

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Energy Technology Data Exchange (ETDEWEB)

Full text of publication follows: Energy and environment are two major concerns in our modern society due to the coming shortage in fossil energy sources and the growing of greenhouse gas emissions. The challenge for the coming years is to discover new energy resources and to develop devices that are compatible with a sustainable development and generate few (or zero) emission. One of these devices is the fuel cell feed by hydrogen, whose application fields are very large. In particular, the proton exchange membrane fuel cell (PEMFC) is the most realistic device for automotive application. However, hydrogen storage remains one of the most important challenges regarding its development. Although different techniques are available for storing hydrogen, no ideal solution has been found yet. Compression needs elaborated tanks in shape for supporting high pressures, liquefaction requires an expensive hydrogen cooling and adapted tanks. Chemical storage by hydrides imposes heavy devices. A ...

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...specialised laboratories for pharmaceutics, tissue culture and molecular biology Excellent Laboratory Facilities Tissue Culture Facilities Molecular Biology Laboratory ...

CERN Document Server

Three dimensional rotatory modes of oscillations in a one-dimensional chain of rodlike charged particles or dust grains in a plasma are investigated. The dispersion characteristics of the modes are analyzed. The stability of different equilibrium orientations of the rods, phase transitions between the different equilibria, and a critical dependence on the relative strength of the confining potential are analyzed. The relations of these processes with liquid crystals, nanotubing, and plasma coating are discussed.

Energy Technology Data Exchange (ETDEWEB)

This work has carried out a molecular structure characterization of two Brazilian plants, Harpalyce brasiliana Benth and Bredemeyera floribunda Wild, using {sup 1} H and {sup 13} C NMR spectroscopy. NMR spectra were presented and analysed, then several structures have been proposed based on spectral data, and finally the structural determination was done 3 refs., 4 figs., 1 tab.

International Nuclear Information System (INIS)

The authors summarize the significant dose-related effects on brain development which have emerged largely within the last six years of study of prenatally exposed A-bomb survivors. The results are described primarily in terms of the DS86 estimates and differences between these and the older T65DR dose estimates are discussed. The severe mental retardation sample was based on 1598 individuals taken from the PE-86 sample, and the intelligence test scores considered from the same sample involved 1673 children. The authors also discuss some of the recent neurobiological developments that appear relevant to an understanding of the biological bases of dose-related events observed, and suggest future research that may contribute either to further delineation of exposure consequences or to the explanation of the cellular and molecular origins of observed effects. (UK).

British Library Electronic Table of Contents (United Kingdom)

Toadlets of the genus Brachycephalus are endemic to the Atlantic rainforests of southeastern and southern Brazil. The 14 species currently described have snout-vent lengths less than 18mm and are thought to have evolved through miniaturization: an evolutionary process leading to an extremely small adult body size. Here, we present the first comprehensive phylogenetic analysis for Brachycephalus, using a multilocus approach based on two nuclear (Rag-1 and Tyr) and three mitochondrial (Cyt b, 12S, and 16S rRNA) gene regions. Phylogenetic relationships were inferred using a partitioned Bayesian analysis of concatenated sequences and the hierarchical Bayesian method (BEST) that estimates species trees based on the multispecies coalescent model. Individual gene trees showed conflict and also va...

Energy Technology Data Exchange (ETDEWEB)

A detailed chemical kinetic reaction mechanism is developed to describe incineration of the chemical warfare nerve agent sarin (GB), based on commonly used principles of bond additivity and hierarchical reaction mechanisms. The mechanism is based on previous kinetic models of organophosphorus compounds such as TMP, DMMP and DIMP that are often used as surrogates to predict incineration of GB. Kinetic models of the three surrogates and GB are then used to predict their consumption in a perfectly stirred reactor fueled by natural gas to simulate incineration of these chemicals. Computed results indicate that DIMP is the only one of these surrogates that adequately describes combustion of GB under comparable conditions. The kinetic pathways responsible for these differences in reactivity are identified and discussed. The most important reaction in GB and DIMP that makes them more reactive than TMP or DMMP is found to be a six-center ...

British Library Electronic Table of Contents (United Kingdom)

Background: We consider cells as biological systems that process information by means of molecular codes. Many studies analyze cellular information processing exclusively in syntactic terms (e.g., by measuring Shannon entropy of sets of macromolecules), and abstract completely from semantic aspects that are related to the meaning of molecular information. Methods: This mini-review focusses on semantic aspects of molecular information, particularly on codes that organize the semantic dimension of molecular information. First, a general conceptual framework for describing molecular information is proposed. Second, some examples of molecular codes are presented. Third, a mathematical approach that makes the identification of molecular codes in reaction networks possible, is developed. Results...

Science.gov (United States)

In previous molecular phylogenetic analyses of the freshwater mussel family Unionidae (Bivalvia: Unionoida), the Afrotropical genus Coelatura had been recovered in various positions, generally indicating a paraphyletic Unionidae. However that result was typically poorly supported and in conflict with morphology-based analyses. We set out to test the phylogenetic position of Coelatura by sampling tropical lineages omitted from previous studies. Forty-one partial 28S nuclear rDNA and partial COI mtDNA sequences (1130 total aligned nucleotides) were analyzed separately and in combination under both maximum parsimony and likelihood, as well as Bayesian inference. There was significant phylogenetic incongruence between the character sets (partition homogeneity test, p<0.01), but a novel heuristic for comparing bootstrap values among character sets analyzed separately and in combination illustrated that the observed conflict was due to homoplasy ...

CERN Document Server

While dealing with molecular systems, it is highly advantageous to work with a basis set which has definite total spin and also belongs to a definite irreducible representation of its symmetry (point) group. But unfortunately, there hadn't been any general simple technique to deal with the problem, especially when molecule possesses non-Abelian point group symmetry. In a previous paper \\cite{sahoo}, we presented a general technique which is a hybrid method based on Valence Bond basis and the basis of z-component of the total spin. The technique is applicable to all types of point groups and is easy to implement on computer. We illustrated the power of the method by applying it to a molecular magnetic system. Here we extend the method to electronic systems and demonstrate this extended technique by applying it to a model icosahedral half-filled electronic system (12 sites). Reasons we took this model are, its a system with ...

Energy Technology Data Exchange (ETDEWEB)

Based on techniques of organic solvent extraction and a thermal model experiments of coal-related hydrocarbon, the variation of coal structure and the character of deformed coal-related hydrocarbons were studied when the coal seam at Piagdingshan mine, China was modified by tectonic stress. The results show that the extraction ratio by n-hexane and benzene from the deformed coal approaches that form normal coal, but the extraction ratio by chloroform from the deformed coal is two times more than that from normal coal. The deformed coal has higher solvable low-molecular weight compounds than normal coal. The intermolecular force of deformed coal is relatively small. The deformed coal has low strength and high adsorption capacity, and these determine the outbreak of coal-gas outburst. The extraction yields by chloroform can be taken as an index of forecast risks of coal-gas outburst. The potentially of generating hydrocarbon from the deformed ...

Energy Technology Data Exchange (ETDEWEB)

Polysaccharides like cellulose and chitosan are known for their filmic properties. This paper concerns the synthesis and the study of chitosan-based polymer electrolytes. A preliminary work concerns the study of glucosamine reactivity. The poly-condensation of chitosan ethers (obtained by reaction with ethylene oxide or propylene oxide) with bifunctional and monofunctional oligo-ethers leads to the formation of thin lattices (10 {mu}m) having excellent mechanical properties. The presence of grafted polyether chains along the polysaccharide skeleton allows to modify the vitreous transition temperature and the molecular disorder of the system. Two type of polymer electrolytes have been synthesized: electrolytes carrying a dissolved alkaline metal salt and ionomers. The analysis of their thermal, dynamical mechanical, nuclear magnetic relaxation, electrical, and electrochemical properties shows that this new class of polymer electrolytes has the ...

Energy Technology Data Exchange (ETDEWEB)

Syntheses are described for tetra and pentadeutero indole-3-acetic acid (IAA) labeled in positions 4,5,6,7 or 2,4,5,6,7 of the indole moiety. Polydeuterated IAA is proposed as an internal standard for gas chromatographic-mass spectrometric analysis of IAA by selected ion monitoring. Nanogram amounts of IAA may be assayed by monitoring the base peak of IAA at m/z = 130 (134 for d/sub 4/-IAA) and the molecular ion of the methyl ester of IAA at 189 (193 for d/sub 4/-IAA). Deuterium in positions 4,5,6, and 7 and, to only a slightly lesser extent, that in position 2 of IAA is retained during alkali treatment, thus permitting use of these compounds as internal standards for assay of IAA released by alkaline hydrolysis of ester and amide conjugates. The use of polydeutero internal standards separates the standards from the isotope cluster caused by the normal abundance of heavy isotopes and also permits use of reduced mass resolution, thus leading to ...

UK PubMed Central (United Kingdom)

Accumulation of molecular damage and increased molecular heterogeneity are hallmarks of cellular aging. Mild stress-induced hormesis can be an effective way for reducing the accumulation of molecular...Full Text Available

British Library Electronic Table of Contents (United Kingdom)

TaC-4wt.% CNT composites were synthesized using spark plasma sintering. Two kinds of CNTs, having long (10-20mm) and short (1-3mm) length, were dispersed by wet chemistry and spray drying techniques respectively. Spark plasma sintering was carried out at 1850^oC at pressures of 100, 255 and 363MPa. Addition of CNTs leads to an increase in the density of 100MPa sample from 89% to 95%. Short CNTs are more effective in increasing the density of the composites whereas long CNTs are more effective grain growth inhibitors. The longer CNTs are more effective in increasing the fracture toughness and an increase up to 60% was observed for 363MPa sample. Hardness and elastic modulus are found to increase by 22% and 18% respectively for 100MPa samples by addition of long CNTs. Raman spectroscopy, SEM...

International Nuclear Information System (INIS)

A novel composite film, comprising of hydrophobic ionic liquid (IL), multi-walled carbon nanotubes (MWNTs) and gold nanoparticles (GNP), was fabricated and characterized. The GNP was introduced through electrochemical deposition on IL-MWNT gel film coated glassy carbon electrodes (GCE). Experiments showed that both IL and MWNTs could facilitate the GNP deposition. With GNP the composite film exhibited smaller electron transfer resistance and higher sensitivity in sensing guanine (G) and adenine (A). Under the optimized experimental conditions, the anodic peak currents were linear to the analyte concentration in the ranges of 0.008-2.0 ?M. The detection limits were down to nanomole level after an accumulation of 150 s on open-circuit. In addition, on the composite film coated GCE, the anodic peaks of G and A were well separated, and their response sensitivities kept almost unchanged no matter whether they coexisted or not. This proposed procedure was successfully ...

UK PubMed Central (United Kingdom)

Woolfolk, C. A. (University of Washington, Seattle). Reduction of inorganic compounds with molecular hydrogen by Micrococcus lactilyticus. II. Stoichiometry with inorganic...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

With the improvements accomplished during the past 15 years in detection techniques and instrumentation and with the opening of space exploration, molecular spectroscopy has become a very efficient way to probe planetary atmospheres.

Science.gov (United States)

... 041889 Molecular Cloning and Characterization of Three Novel Lysozyme-Like Genes, Predominantly Expressed in the Male Reproducti...

UK PubMed Central (United Kingdom)

BackgroundMany molecules of interest are flexible and undergo significant shape deformation as part of their function, but most existing methods of molecular shape comparison (MSC)...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Metals for potential use in the dissociator and the synthesizer reactors of a distributed solar receiver thermochemical transport loop utilizing SO/sub 3//SO/sub 2//O/sub 2/ molecular chemistry includes stainless steels and iron-base, nickel-base and cobalt-base superalloys. We tested these alloys in SO/sub 2//O/sub 2/ mixtures and SO/sub 3/ gas at 500/sup 0/C and 900/sup 0/C, respectively, for times of up to four weeks. Weight gain measurements were used to determine the oxidation/sulfidation kinetics and electron microprobe analysis was used to measure penetration of oxygen and sulfur into the metal and to identify the formation of internal oxides and sulfides. Results of these tests showed that the most promising candidates are those containing sufficient quantities of both aluminum and chromium alloying additions to be alumina and chromia formers, such as Kanthal A-1, Nimonic 105 and Cabot 214.

Energy Technology Data Exchange (ETDEWEB)

November 1989, marked the beginning of a new three-year cycle of DOE grant support, in connection with which the program underwent a major reorganization. This document presents the progress on the three objectives of the present program which are: to isolate by the technique of two-dimensional polyacrylamide gel electrophoresis (2-D PAGE), proteins of special interest because of the relative mutability of the corresponding gene, establish the identity of the protein, and, for selected proteins, move to a characterization of the corresponding gene; to develop a more efficient approach, based on 2-D PAGE, for the detection of variants in DNA, with special reference to the identification of mutations in the parents of the individual whose DNA is being examined; and, to continue an effective interface with the genetic studies on the children of atomic bomb survivors in Japan, with reference to both the planning and implementation of new studies at the ...

CERN Document Server

Spatial Fluorescence Cross Correlation Spectroscopy is a rarely investigated version of Fluorescence Correlation Spectroscopy, in which the fluorescence signals from differ-ent observation volumes are cross-correlated. In the reported experiments, two observation volumes, typically shifted by a few $\\mu$m, are produced, with a Spatial Light Modulator and two adjustable pinholes. We illustrated the feasibility and potentiality of this technique by: i) measuring molecular flows, in the range 0.2 - 1.5 $\\mu$m/ms, of solutions seeded with fluorescent nanobeads or rhodamine molecules (simulating active transport phenomenons); ii) investigating the perme-ability of phospholipidic membrane of Giant Unilamellar Vesicles versus hydrophilic or hydrophobic molecules (in that case the laser spots were set on both sides of the mem-brane). Theoretical descriptions are proposed together with a discussion about FCS based, alternative methods.

British Library Electronic Table of Contents (United Kingdom)

Abstract Evaluation of pharmaceutical agents in children is now conducted earlier in the drug development process. An important consideration for this pediatric use is how to assess and support its safety. This article is a collaborative effort of industry toxicologists to review strategies, challenges, and current practice regarding preclinical safety evaluations supporting pediatric drug development with biopharmaceuticals. Biopharmaceuticals include a diverse group of molecular, cell-based or gene therapeutics derived from biological sources or complex biotechnological processes. The principles of preclinical support of pediatric drug development for biopharmaceuticals are similar to those for small molecule pharmaceuticals and in general follow the same regulatory guidances outlined by...

CERN Document Server

Numerical results on the translocation of long biopolymers through mid-sized and wide pores are presented. The simulations are based on a novel methodology which couples molecular motion to a mesoscopic fluid solvent. Thousands of events of long polymers (up to 8000 monomers) are monitored as they pass through nanopores. Comparison between the different pore sizes shows that wide pores can host a larger number of multiple biopolymer segments, as compared to smaller pores. The simulations provide clear evidence of folding quantization in the translocation process as the biopolymers undertake multi-folded configurations, characterized by a well-defined integer number of folds. Accordingly, the translocation time is no longer represented by a single-exponent power law dependence on the length, as it is the case for single-file translocation through narrow pores. The folding quantization increases with the biopolymer length, while the rate of ...

British Library Electronic Table of Contents (United Kingdom)

Abstract Under eons of evolutionary and environmental pressure, biological systems have developed strong and lightweight peptide-based polymeric materials by using the 20 naturally occurring amino acids as principal monomeric units. These materials outperform their man-made counterparts in the following ways: 1)-multifunctionality/tunability, 2)-adaptability/stimuli-responsiveness, 3)-synthesis and processing under ambient and aqueous conditions, and 4)-recyclability and biodegradability. The universal design strategy that affords these advanced properties involves -bottom-up- synthesis and modular, hierarchical organization both within and across multiple length-scales. The field of -biomimicry--elucidating and co-opting nature-s basic material design principles and molecular building blo...

British Library Electronic Table of Contents (United Kingdom)

Density functional theory calculations were performed to study the effects of different substituents and bridge groups on the heats of formation (HOFs), thermal stability, and detonation properties for a series of diiminotetrazole derivatives. The isodesmic reaction method was employed to calculate the HOFs of the derivatives using total energies obtained from electronic structure calculations. The bond dissociation energies and bond orders for the weakest bonds were analyzed to investigate the thermal stability of the diiminotetrazole derivatives. The detonation velocities and pressures were evaluated by using the semiempirical Kamlet-Jacobs equations, based on the theoretical densities and HOFs. These results provide basic information for the molecular design of novel high-energy density...

British Library Electronic Table of Contents (United Kingdom)

Abstract Gelatinization temperature (GT) is an important parameter in evaluating the cooking and eating quality of rice. Indeed, the phenotype, biochemistry and inheritance of GT have been widely studied in recent times. Previous map-based cloning revealed that GT was controlled by ALK gene, which encodes a putative soluble starch synthase II-3. Complementation vector and RNAi vector were constructed and transformed into Nipponbare mediated by Agrobacterium. Phenotypic and molecular analyses of transgenic lines provided direct evidence for ALK as a key gene for GT. Meanwhile, amylose content, gel consistency and pasting properties were also affected in transgenic lines. Two of four nonsynonymous single nucleotide polymorphisms in coding sequence of ALK were identified as essential for GT. ...

Energy Technology Data Exchange (ETDEWEB)

The human mitochondrial DNA (mtDNA) is a closed circular, 16,569-bp double-stranded DNA, encoding 13 genes whose protein products are subunits of the oxidative phosphorylation system required for synthesis of most of the ATP consumed by eukaryotic cells. Point mutations of the mtDNA that cause multi-tissue, loss-of-energy syndromes, called mitochondrial encephalomyopathies (e.g., MERRF and MELAS), have been identified. In addition, large-scale deletions of the human mtDNA have been identified and are the molecular bases for the neonatal and adolescent onset loss-of-energy syndromes Pearson and Kearns-Sayer, respectively. 5 refs., 1 fig.

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Science.gov (United States)

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British Library Electronic Table of Contents (United Kingdom)

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Wastenet

...Correction Discussion Editorial Letter Opinion Review Short Note Technical Note Special Issue all A Systematic Development Method for Rational Drug Design Advances in Molecular Electronic Structure Calculations Algorithms and Molecular Sciences Antimicrobial Agents Application of Density Functional Theory Applications of Density Functional Theory Applications of Molecular Dynamics Atoms in Molecules ...

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KoreaScience (Korea)

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Science.gov (United States)

The MonoPrep Pap Test (MPPT; MonoGen, Lincolnshire, IL) is a novel, liquid-based specimen collection and processing technology for cytologic and molecular testing. Its usefulness in the detection of cervical cancer and its precursors was evaluated in a multicenter, masked, adjudicated, split-sample study of 10,739 samples. After preparation of a conventional smear, the residuum on the collection device was rinsed into a collection vial from which an MPPT slide was prepared. Accuracy was assessed by masked reference interpretation by an independent pathologist. Slides prepared by MPPT, compared with smears, yielded statistically significant increases in relative sensitivity for atypical squamous cells of undetermined significance and worse, atypical squamous cells, cannot exclude high-grade squamous intraepithelial lesion/atypical glandular cells and worse, and low-grade squamous intraepithelial lesion and worse. There was no significant ...

Energy Technology Data Exchange (ETDEWEB)

Recent progress in the metallic conducting Langmuir-Blodgett (LB) films built from TTF derivative and fatty acids is reported. A simple LB method of transferring the mixed Langmuir (L) film of BEDO-TTF (BO) and stearic acid (SA) onto substrates provided metallic conducting LB films. A homogeneous L film formation on the water surface observed by Brewster angle microscope (BAM) is an essential factor for the well-ordered LB films. In the L film, the carboxylate group of fatty acid forms anion layer bringing about a spontaneous formation of mixed valence state (MVS) of BO layer. Similar spontaneous formation was also found in the molecular combination of nonoxygen-substituted donor of EDT-TTF and octadecanesulfonic acid (OS). This type of reaction would be useful for obtaining conducting LB films. For the LB films of BEDO-TTF and stearic acid, we found a negative transverse magnetoresistance at low temperature that was interpreted in the weak localization of a ...

Energy Technology Data Exchange (ETDEWEB)

This report summarizes the work on high field superconducting materials and processes performed at the Materials and Molecular Research Division of the Lawrence Berkeley Laboratory. Two major interrelated focal points characterize this research. One was the decision to restrict the effort to A-15 compounds because of their superior critical temperatures and critical fields. The inherent brittleness of these compounds along with the requirement for a filamentary morphology led to the second focal point: a heavy reliance on a powder approach for the fabrication of superconducting tapes and wires. There have been exceptions to the use of powder techniques where special circumstances such as the nature of a particular alloy system suggested on alternative approach. The quench-age technique described herein is an example of a non-powder approach. Here the niobium-aluminum system is involved and the methodology is based on the fact that in a certain ...

British Library Electronic Table of Contents (United Kingdom)

In this paper, multilayer oxide nanorods were deposited in the nanopores of anodic aluminum oxide (AAO) via solution infiltration followed by heat treatment. The nanorods have a core-shell structure. First, the shell (nanotube) with the thickness of about 40nm was made of TiO"2 through the hydrolysis of (NH"4)"2TiF"6. Second, silver nanoparticles with the diameter of about 3nm were added into the TiO"2 layer through thermal decomposition of AgNO"3 at elevated temperatures. Then, cylindrical cores (nanorods) of CoO and ZnO with 200nm diameter were prepared, respectively. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were used to characterize the structure and composition of the nanorods. UV-vis light absorption measurements in the wavelength range from 350 to...

International Nuclear Information System (INIS)

Nanocomposites comprising nanocrystal silicon (Si), disordered carbon (DC), and multi-walled carbon nanotubes (MWCNTs) - denoted as Si/DC/MWCNTs - have been prepared by pyrolyzing the phenol-formaldehyde resin (PFR) mixed with Si and MWCNTs. This nanocomposite anode material showed a discharge capacity of 1216 mAh/g in the first cycle, and a charge capacity of 711 mAh/g after 20 charge-discharge, much higher than that of Si/DC composite. It can be observed that Si particles wrapped in MWCNTs were homogeneously embedded into the matrix of the DC. The improved electrochemical performance is hypothesized to be mainly attributed to the morphology stability of the composite due to the excellent resiliency and distinct electric conductivity of the MWCNTs.

Energy Technology Data Exchange (ETDEWEB)

Nuclear magnetic resonance is a powerful technique that can be used in a wide range of applications, such as the structural characterization of high molecular weight molecules, conformational studies on enzymes in solution, enzyme-substrate or DNA-protein interactions, monitoring of cell metabolism in vivo, and for diagnostic purposes, employing spectroscopic and imaging techniques. This course was organized in order to introduce the participants to the fundamentals of NMR spectroscopy, and offer practical advice on performing NMR experiments on cell systems, cell and tissue extracts and animal models. The main implications regarding human experiments were also discussed. Finally the quantification of information and the interpretation of data were considered with regard to the main nuclei observed. [Italiano] La risonanza magnetica nucleare e` una delle tecniche spettroscopiche che meglio risponde all`ampio spettro di condizioni imposto dalla ricerca in biofisica ...

CERN Document Server

Mon R2, at a distance of 830 pc, is the only ultracompact HII region (UC HII) where the photon-dominated region (PDR) between the ionized gas and the molecular cloud can be resolved with Herschel. HIFI observations of the abundant compounds 13CO, C18O, o-H2-18O, HCO+, CS, CH, and NH have been used to derive the physical and chemical conditions in the PDR, in particular the water abundance. The 13CO, C18O, o-H2-18O, HCO+ and CS observations are well described assuming that the emission is coming from a dense (n=5E6 cm-3, N(H2)>1E22 cm-2) layer of molecular gas around the UC HII. Based on our o-H2-18O observations, we estimate an o-H2O abundance of ~2E-8. This is the average ortho-water abundance in the PDR. Additional H2-18O and/or water lines are required to derive the water abundance profile. A lower density envelope (n~1E5 cm-3, N(H2)=2-5E22 cm-2) is responsible for the absorption in the NH 1_1-0_2 line. The emission ...

UK PubMed Central (United Kingdom)

Molecular Misreading (MM) is the inaccurate conversion of genomic information into aberrant proteins. For example, when RNA polymerase II transcribes a GAGAG motif it synthesizes at low frequency RNA...Full Text Available

UK PubMed Central (United Kingdom)

AbstractWe combined atomistic molecular-dynamics simulations with quantum-mechanical calculations to investigate the sequence dependence of the stretching behavior of duplex DNA. Our...Full Text Available

UK PubMed Central (United Kingdom)

AbstractStudies performed to identify early events of ovarian cancer and to establish molecular markers to support early detection and development of chemopreventive regimens have been...Full Text Available

UK PubMed Central (United Kingdom)

A parallel bundle of transmembrane (TM) alpha-helices surrounding a central pore is present in several classes of ion channel, including the nicotinic acetylcholine receptor (nAChR). We have modeled...Full Text Available

UK PubMed Central (United Kingdom)

This article describes the molecular cloning and expression of a hemolysin gene from a serotype 1 strain of Actinobacillus pleuropneumoniae. The hemolysin was a thermolabile protein with an apparent...Full Text Available

UK PubMed Central (United Kingdom)

Combined QM(PM3)/MM molecular dynamics simulations together with QM(DFT)/MM optimizations for key configurations have been performed to elucidate the enzymatic catalysis mechanism on the detoxification...Full Text Available

UK PubMed Central (United Kingdom)

Molecular life science is one of the fastest-growing fields of scientific and technical innovation, and biotechnology has profound effects on many aspects of daily life—often with deep, ethical...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

One of the central questions of molecular biology is the discovery of the semantics of DNA. This discovery relies in a critical way on a variety of expensive computations. In order to solve these computations, both parallel computers and special-purpose hardware play a major role.

UK PubMed Central (United Kingdom)

BackgroundHealth risk from exposure of perfluorochemicals (PFCs) to wildlife and human has been a subject of great interest for understanding their molecular mechanism of toxicity....Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The batchwise preparation of molecular sieves for methanol conversion shows some inconsistency in catalytic stability. This is a result mainly of the change of SiO/SUB/2/Al/SUB/2O/SUB/3 in ion exchange to an H-type sieve. The dealumination during ion exchange depends upon crystal size and structural factors, which can be characterised by the cyclohexane adsorption of the raw molecular sieve. A high SiO/SUB/2/Al/SUB/2O/SUB/3 H-molecular sieve can be prepared from a molecular sieve of high adsorption capacity, this leading to a catalyst of higher stability. (4 refs.)

International Nuclear Information System (INIS)

... energy spectra inelastic scattering ion-molecule collisions mass spectrometers

Science.gov (United States)

Directed evolution of proteins depends on the production of molecular diversity by random mutagenesis. While a number of methods have been developed for introducing this diversity, the best ways to sample it are not always clear. Here we used simple statistics to analyse completeness and diversity in randomized libraries generated by oligonucleotide-directed mutagenesis, error-prone polymerase chain reaction (epPCR) and in vitro recombination of highly homologous sequences. For oligonucleotide-directed mutagenesis, we derive equations to estimate how complete a given library is expected to be and also to predict the size of library required to give a fixed probability of being 100% complete. We describe the statistical bases for computer programs which estimate the number of distinct variants represented in epPCR and shuffled libraries, dubbed PEDEL and DRIVeR, respectively. These programs allow the user to calculate (rather than guess) the ...

CERN Document Server

We use X-ray scattering and molecular simulations to investigate the structural properties of complexes of multivalent cationic lipids and DNA molecules. At low mole fraction of neutral lipids (NLs), $\\Phi_{\\rm NL}$, the complexes show dramatic DNA compaction down to essentially close packed DNA arrays with a DNA interaxial spacing $d_{\\rm DNA}=25\\AA$. A gradual increase in $\\Phi_{\\rm NL}$ does not lead to a continuous increase in $d_{\\rm DNA}$ as observed for DNA complexes of monovalent cationic lipids (CLs). Instead, distinct spacing regimes exist, with sharp transitions between them. Three packing states have been identified: (i) close packed, (ii) condensed, but not close packed, with $d_{\\rm DNA}=27-28\\AA$, and (iii) an expanded state, where $d_{\\rm DNA}$ increases gradually with $\\Phi_{\\rm NL}$. Based on our experimental and computational results, we conclude that the DNA condensation is mediated by the multivalent cationic ...

Energy Technology Data Exchange (ETDEWEB)

Coal ash is a substance that has been mixed into minerals in the earth`s crust during their coalification process. Estimation was made on what kinds of mineral composition have been mixed into coals. Noted first was the kinds of compounds contained in the ash, wherein the ratios of mass in the compounds and minerals were correlated, and selection was made on minerals which are thought correlated. The selection criterion was based on minerals containing silica, alumina, iron oxide, lime and magnesium as compounds. Then, a phase equilibrium line diagram was used to estimate compositions and melting points of minerals which are thought to have been produced from these compounds. By comparing the estimation with the measured melting points of the ashes, mineral compositions thought reasonable were all selected. Assumption was possible on minerals that are thought to have been transferred into coal ash. Compound indications of ashes from 29 kinds of the world`s typical ...

Energy Technology Data Exchange (ETDEWEB)

A class-V myosin, myosin V, one of 18 known classes of actin-based motor proteins, plays a role in transporting organelles within a cell. Unlike myosin-II, which functions as an assembly in the thick filaments of muscle, myosin V is a two-headed processive motor protein, which functions as a single molecule: myosin V performs many consecutive steps before it detaches from an actin filament accompanied by catalytic cycles of ATP (adenosine 5'-triphosphate) ase. The mechanism of such chemomechanical steps is explained by a 'Hand-over-hand model' in which two heads of myosin V alternately repeat single-headed and double-headed bindings with an actin filament. To investigate the binding state of myosin V at several key nucleotide states during ATP hydrolysis, we measured the mechanical properties of a single myosin V - actin complex by applying an external load with optical trap.

Energy Technology Data Exchange (ETDEWEB)

This thesis consists of five chapters, each of which is a self-contained unit. The first chapter overviews methods for electronic-structure calculations. Chapter 2 introduces a new method to generate a rapidly converging configuration expansion. The approach iteratively combines (1) a least-squares fitting of a configuration expansion to a many-body wave function with (2) a transfer-matrix method for projecting out the ground state. Results are shown to be equivalent to multiconfiguration Hartree-Fock. Results from test calculations are given for a simple finite difference model of the helium atom. In Chapter 3 the use of the finite-element method in electronic structure calculations is discussed. Chapters 4 and 5 discuss developments in Monte Carlo methods based on Hubbard-Stratonovich transformations. Chapter 4 introduces a canonical ensemble formulation of the method, which is more appropriate than the usual grand canonical formulation for electronic structure. ...

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A brief comparative review of possible mercury free fluorescent lighting technologies is presented, including rare-gas positive column discharges, molecular discharges, and dielectric barrier discharges. Detailed experimental results on xenon positive column discharges will then be considered. In order to judge whether xenon-based discharges are a viable UV source it is necessary to measure the radiant emittance (power per unit area) for the vacuum ultraviolet (VUV) resonance xenon emission at 147 nm. Two techniques to determine the VUV radiant emittance have been developed and applied to xenon discharges. One method combines the measured resonance level density using absorption spectroscopy and a calculation of the trapped decay rate for the resonance radiation to arrive at the radiant emittance at 147 nm. A second method utilizes a direct measurement of the radiance (power per unit area per unit solid angle) at 147 nm using a calibrated VUV ...

International Nuclear Information System (INIS)

Systematic analysis of the energy level schemes, ground state absorption (GSA) and covalency effects for the Ni"2"+ ion in Ca_3Sc_2Ge_3O_1_2 was performed. The recently developed first-principles approach to the analysis of the absorption spectra of impurity ions in crystals based on the discrete variational multi-electron method (DV-ME) [K. Ogasawara et al., Phys. Rev. B 64, 115413 (2001)] was used in the calculations. As a result, complete energy level schemes of Ni"2"+ and its absorption spectra at both possible crystallographic positions (distorted octahedral Sc"3"+ and tetrahedral Ge"4"+ positions) were calculated, assigned and compared with experimental data. Energies of the charge transfer (CT) transitions for both positions are estimated. Numerical contributions of all possible electron configurations into the calculated energy states were determined. By performing analysis of the molecular orbitals (MO) population, it was shown that ...

International Nuclear Information System (INIS)

Decommissioning of radiological and nuclear installations is for this century the new challenge. One of the performance criteria is the reduction of total quantities of radioactive materials (liquid or solid) arising from dismantling and decontamination of radiological and nuclear installations. In this work we present a new application of the water soluble polymers used as: - flocculation agents in treatment and conditioning process within the management of radioactive liquid materials; - strippable coatings on solid materials based on the water soluble polymers. The parameters of water soluble polymers made in our Institute by radiation processing have been analysed, namely the molecular average weight, composition, and efficiency of utilization of these polymeric materials as well as the content of ash, additives, decontamination factor, consumption per surfaces/liter, corrosion aspects, compatibility with various surfaces (of metal, ...

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The authors describe a cloning strategy for the construction of a human genomic library in yeast artificial chromosomes (YACs) based on complete digestion of high-molecular-weight DNA with the infrequently cutting restriction enzyme MluI. Cloning of MluI fragments in the vector pYAC-RC and one subsequent size fractionation by preparative pulsed-field gel electrophoresis yielded a library with average insert sizes of 600 kb. Ninety-seven percent of the colonies were recombinant. An additional size fractionation of MluI fragments prior to ligation had no significant influence on the size of the YACs. The library currently consists of 5000 clones, which is the equivalent of one human genome. Nineteen percent of the YACs were larger than 1.2 Mb. Since smaller MluI fragments are lost during sizing, they also performed cloning without size fractionation. Only 20% of the colonies were recombinant, probably due to unligated vector fragments that were ...

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Solid-state nuclear magnetic resonance (NMR) has been used to explore the nanometer-scale structure of Nafion, the widely used fuel cell membrane, and its composites. We have shown that solid-state NMR can characterize chemical structure and composition, domain size and morphology, internuclear distances, molecular dynamics, etc. The newly-developed water channel model of Nafion has been confirmed, and important characteristic length-scales established. Nafion-based organic and inorganic composites with special properties have also been characterized and their structures elucidated. The morphology of Nafion varies with hydration level, and is reflected in the changes in surface-to-volume (S/V) ratio of the polymer obtained by small-angle X-ray scattering (SAXS). The S/V ratios of different Nafion models have been evaluated numerically. It has been found that only the water channel model gives the measured S/V ratios in the normal hydration ...

CERN Document Server

A simple analytical/numerical model has been developed for computing the evolution, over periods of up to a few hours, of the current and temperature profile in the upper layer of the ocean. The model is based upon conservation laws for heat and momentum, and employs an eddy diffusion parameterisation which is dependent on both the wind speed and the wind stress applied at the sea surface. Other parameters such as the bulk-skin surface temperature difference and CO$_2$ flux are determined by application of the Molecular Oceanic Boundary Layer Model (MOBLAM) of Schluessel and Soloviev. A similar model, for the current profile only, predicts a temporary increase in wave breaking intensity and decrease in wave height under conditions where the wind speed increases suddenly, such as, for example, during gusts and squalls. The model results are compared with measurements from the lagrangian Skin Depth Experimental Profiler (SkinDeEP) surface ...

Science.gov (United States)

Silicon is an attractive alloy-type anode material because of its highest known capacity (4200 mAh/g). However, lithium insertion into and extraction from silicon are accompanied by a huge volume change, up to 300%, which induces a strong strain on silicon and causes pulverization and rapid capacity fading due to the loss of the electrical contact between part of silicon and current collector. Si nanostructures such as nanowires, which are chemically and electrically bonded to the current collector, can overcome the pulverization problem, however, the heavy metal current collectors in these systems are larger in weight than Si active material. Herein we report a novel anode structure free of heavy metal current collectors by integrating a flexible, conductive carbon nanotube (CNT) network into a Si anode. The composite film is free-standing and has a structure similar to the steel bar reinforced concrete, where the infiltrated CNT network functions as both ...

Science.gov (United States)

The commercial solid phase microextraction (SPME) fibers are not stable enough in organic solvent and tend to swell and strip off from the silica fiber in the high performance liquid chromatography (HPLC) mobile phase, and therefore the application of SPME coupled online with HPLC is limited. In this study, an SPME fiber coated with single walled carbon nanotubes (SWCNTs), prepared by means of electrophoretic deposition, was coupled on line to HPLC for the determination of four endocrine-disrupting compounds, i.e. bisphenol A (BPA), estrone (E(1)), 17?-ethynylestradiol (EE(2)) and octylphenol (OP), in aqueous samples. The results showed that the SWCNTs coating on the prepared fiber did not swell and strip off from the platinum fiber throughout the experiment, thus indicating a high resistance to the HPLC mobile phase, the mixture of water and acetonitrile. The SWCNTs fiber had similar (for OP) or higher (for BPA, EE(2) and E(1)) extraction efficiencies than the ...

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Formaldehyde, a well-identified indoor pollutant, was recently classified as carcinogenic. New regulations for the air quality are expected and therefore there is a need for low-cost sensors, sensitive and selective with a fast response time for the detection of formaldehyde at ppb level. In the present work, we had developed a chemical sensor based on nano-porous matrices doped with Fluoral-P and optical methods of detection. The nano-porous matrices, elaborated via the Sol-Gel process, display nano-pores whose cavity is tailored for the trapping of the targeted pollutant. They provide a first selectivity with the discrimination of the pollutants by their size. A second selectivity is obtained with a molecular probe, Fluoral-P, which reacts specifically with formaldehyde leading to the 3,5- di-acetyl-1,4-dihydro-lutidine (DDL). The kinetics of formation of DDL was studied as function of many parameters such as the concentration of Fluoral-P in ...

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The herpes simplex virus type 1 thymidine kinase (HSV1-TK) reporter system is being used to directly and indirectly monitor therapeutic gene expression, immune cell trafficking and protein-protein interactions in various living animals. However, the issues of HSV1-TK enzyme stability in living cells and whether this reporter system is optimal for dynamic studies of gene expression events in genetic imaging have not be addressed. The purpose of the present study was to evaluate the application of this reporter system in dynamic studies of transcriptional gene regulation. To achieve this purpose, we established two tetracycline-inducible murine sarcoma cell lines, tetracycline-turn-off HSV1-tk-expressing cell line (NG4TL4/tet-off-HSV1-tk) and tetracycline-turn-off Luc-expressing cell line (NG4TL4/tet-off-Luc), to create an artificially regulated gene expression model in vitro. The dynamic transcriptional events mediating a series of doxycycline (Dox) inductions were monitored by HSV1-TK ...

Science.gov (United States)

A critical factor in the advancement of biomedical research is the ease with which data can be integrated, redistributed and analyzed both within and across domains. This paper summarizes the Biomedical Information Core Infrastructure built by National Cancer Institute Center for Bioinformatics in America (NCICB). The main product from the Core Infrastructure is caCORE--cancer Common Ontologic Reference Environment, which is the infrastructure backbone supporting data management and application development at NCICB. The paper explains the structure and function of caCORE: (1) Enterprise Vocabulary Services (EVS). They provide controlled vocabulary, dictionary and thesaurus services, and EVS produces the NCI Thesaurus and the NCI Metathesaurus; (2) The Cancer Data Standards Repository (caDSR). It provides a metadata registry for common data elements. (3) Cancer Bioinformatics Infrastructure Objects (caBIO). They provide Java, Simple Object Access Protocol and HTTP-XML application ...

International Nuclear Information System (INIS)

A new dirhenium(I) complex fac-[{Re(CO)3(4,7-dinonadecyl-1,10-phenanthro -line)}2 (4,4'-bipyridyl)] (trifluoromethanesulfonate)2 (denoted as D-Re(I) ) is assembled in MCM-41 and SBA-15 type mesoporous silica support. The emission peaks of D-Re(I) in D-Re(I)/MCM-41 and D-Re(I)/SBA-15 are observed at 522 and 517 nm, respectively. Their long excited lifetimes, which are of the order of microseconds, indicate the presence of phosphorescence emission arising from the metal to ligand charge-transfer (MLCT) transition. The luminescence intensities of D-Re(I)/MCM-41 and D-Re(I)/SBA-15 decrease remarkably with increase in the oxygen concentration, meaning that they can be used as optical oxygen sensing materials based on luminescence quenching. The ratios I0/I100 of D-Re(I)/MCM-41 and D-Re(I)/SBA-15 are estimated to be 5.6 and 20.1, respectively. The obtained Stern-Volmer oxygen quenching plots of the mesoporous sensing materials could be fitted well to the two-site Demas ...

Science.gov (United States)

There are five tasks within this project on thermally stable coal-based jet fuels. Progress on each of the tasks is described. Task 1, Investigation of the quantitative degradation chemistry of fuels, has 5 subtasks which are described: Literature review on thermal stability of jet fuels; Pyrolytic and catalytic reactions of potential endothermic fuels: cis- and trans-decalin; Use of site specific {sup 13}C-labeling to examine the thermal stressing of 1-phenylhexane: A case study for the determination of reaction kinetics in complex fuel mixtures versus model compound studies; Estimation of critical temperatures of jet fuels; and Surface effects on deposit formation in a flow reactor system. Under Task 2, Investigation of incipient deposition, the subtask reported is Uncertainty analysis on growth and deposition of particles during heating of coal-derived aviation gas turbine fuels; under Task 3, Characterization of solid gums, sediments, and carbonaceous deposits, ...

International Nuclear Information System (INIS)

A 3-D hydrodynamic dispersion model for tracer transport is developed and implemented into the TOUGH2 EOS3 (T2R3D) module. The model formulation incorporates a full dispersion tensor, based on a 3-D velocity field with a 3-D, irregular grid in a heterogeneous geological system. Two different weighting schemes are proposed for spatial average of 3-D velocity fields and concentration gradients to evaluate the mass flux by dispersion and diffusion of a tracer or a radionuclide. This new module of the TOUGH2 code is designed to simulate processes of tracer/radionuclide transport using an irregular, 3-D integral finite difference grid in non-isothermal, three-dimensional, multiphase, porous/fractured subsurface systems. The numerical method for this transport module is based on the integral finite difference scheme, as in the TOUGH2 code. The major assumptions of the tracer transport module are: (a) a tracer or a radionuclide is present and ...

Energy Technology Data Exchange (ETDEWEB)

For the purpose of digging up themes of the joint research which develop the R and D in the industrial technology field in Japan to a new stage, researchers were sent to the world representing research institutes to conduct the research survey of 'Nano-structured carbon and hydrogen absorption' and 'Development of the creation technology of nano-porous materials.' As to the former, an experiment on electrochemical hydrogen absorption of carbon materials including nanotubes was conducted by researchers dispatched, but the large absorption amount was not observed. As to the latter, visits were paid to Fraunhofer Institute and the related facilities in Germany, Princeton University, MIT, GIT and Naval Research Laboratories in the U.S., Orleans University in France, AO Research Institute (bone repair study) in Switzerland, Cambridge University and University of Bristol in the U.K., etc., and the research survey was made on the ...

Science.gov (United States)

The lithium storage properties of graphene nanosheet (GNS) materials as high capacity anode materials for rechargeable lithium secondary batteries (LIB) were investigated. Graphite is a practical anode material used for LIB, because of its capability for reversible lithium ion intercalation in the layered crystals, and the structural similarities of GNS to graphite may provide another type of intercalation anode compound. While the accommodation of lithium in these layered compounds is influenced by the layer spacing between the graphene nanosheets, control of the intergraphene sheet distance through interacting molecules such as carbon nanotubes (CNT) or fullerenes (C60) might be crucial for enhancement of the storage capacity. The specific capacity of GNS was found to be 540 mAh/g, which is much larger than that of graphite, and this was increased up to 730 mAh/g and 784 mAh/g, respectively, by the incorporation of macromolecules of CNT and C60 to the GNS. ...

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Effect of radiation dose and carbon nanotubes (CNT) on the mechanical properties of standard Malaysian rubber (SMR) was investigated in this study. SMR nanocomposites containing 1-7 phr CNT were prepared using the solvent casting method and the nanocomposites were radiated at doses of 50-200 kGy. The change in mechanical properties, especially, tensile strength (Ts), elongation at break (Eb), hardness and tensile modulus at 100% elongation (M{sub 100}) were studied as a function of radiation dose. The structure and morphology of reinforced natural rubber was investigated by FESEM, TEM and AFM in order to gain further evidence on the radiation-induced crosslinking. It was found that the Ts, M{sub 100} and the hardness of the SMR/CNT nanocomposites significantly increased with radiation dose; the elongation at break exhibited an increase up to 100 kGy, and a downward trend thereafter. Results on gel fraction further confirmed the crosslinking of SMR/CNT ...

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption of iodobenzene, 2-iodothiophene, and 1- and 2-iodoadamantanes on the surface of graphitized thermal carbon black were determined experimentally. The influence of the special features of the molecular structure of the adsorbates on the thermodynamic characteristics of adsorption was studied. The atom-atom approximation of the semiempirical molecular-statistical theory of adsorption was used to calculate the thermodynamic characteristics of adsorption of the adsorbates using the newly determined potential function parameters of pair intermolecular interaction (?(r)) of I with C atoms of the basal graphite face. For the example of isostructural monohalogenated benzenes, thiophenes, and adamantanes, a comparative analysis of the contributions of ...

UK PubMed Central (United Kingdom)

Advances in molecular technologies challenge the different concepts of causality in biology, epidemiology and multistage mathematical models. The lack of integration of the different aspects of causality...Full Text Available

UK PubMed Central (United Kingdom)

The receptor-associated protein (RAP) is a molecular chaperone that binds tightly to certain newly synthesized LDL receptor family members in the endoplasmic reticulum (ER) and facilitates their delivery...Full Text Available

UK PubMed Central (United Kingdom)

The molecular structure, chemical properties, and biological function of the xyloglucan polysaccharide isolated from cell walls of suspension-cultured sycamore (Acer pseudoplatanus)...Full Text Available

UK PubMed Central (United Kingdom)

ConspectusSelf-assembly allows for the preparation of highly complex molecular and supramolecular systems from relatively simple starting materials. Typically, self-assembled...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundOrthology analysis is an important part of data analysis in many areas of bioinformatics such as comparative genomics and molecular phylogenetics. The ever-increasing flood...Full Text Available

UK PubMed Central (United Kingdom)

Orphan G protein-coupled receptors (GPCRs) are receptors lacking endogenous ligands. Found by molecular biological analyses, they became the roots of reverse pharmacology, in which receptors are attempted...Full Text Available

International Science & Technology Center (ISTC)

Comparative Molecular Genetic Monitoring of Myxoviruses Circulating in Populations of Seals Phoca Caspia and Phoca Sibirica in Northern Caspian Region and Lake Baikal

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These proceedings collect papers on the subject of lymphokines. Topics include: DNA-cloning of mouse and human lymphokine genes, inteferons, interleukins, gene expression, tumor necrosis factors, and recombinant DNA.

UK PubMed Central (United Kingdom)

Cellular actions of thyroid hormone may be initiated within the cell nucleus, at the plasma membrane, in cytoplasm, and at the mitochondrion. Thyroid hormone nuclear receptors (TRs) mediate the biological...Full Text Available

International Nuclear Information System (INIS)

We investigate the magnetic braking of the core of an axisymmetric cloud whose rotation axis is parallel to the mean direction of the magnetic field. (author).

KoreaScience (Korea)

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Science.gov (United States)

... commercial material manufactured utilizing chlorinated hydrocarbons for the sulfonation of a long chain polystyrene to produce high ... ...

CERN Document Server

We investigate the chemical and observational implications of repetitive transient dense core formation in molecular clouds. We allow a transient density fluctuation to form and disperse over a period of 1 Myr, tracing its chemical evolution. We then allow the same gas immediately to undergo further such formation and dispersion cycles. The chemistry of the dense gas in subsequent cycles is similar to that of the first, and a limit cycle is reached quickly (2 - 3 cycles). Enhancement of hydrocarbon abundances during a specific period of evolution is the strongest indicator of previous dynamical history. The molecular content of the diffuse background gas in the molecular cloud is expected to be strongly enhanced by the core formation and dispersion process. Such enhancement may remain for as long as 0.5 Myr. The frequency of repetitive core formation should strongly determine the level of background ...

UK PubMed Central (United Kingdom)

Mutations in the Drosophila gene drop-dead (drd) result in early adult lethality and neurodegeneration, but the molecular identity of the drd...Full Text Available

UK PubMed Central (United Kingdom)

Physiological bone remodeling is a highly coordinated process responsible for bone resorption and formation and is necessary to repair damaged bone and to maintain mineral homeostasis. In addition to...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

This was a university-based research project in support of distributed reforming production technologies for hydrogen. Our objective was to examine the steam reforming of bio-ethanol and other related bio-derived liquids over non-precious metal catalyst systems to enable small-scale distributed hydrogen production technologies from renewable sources. The study targeted development of a catalytic system that does not rely on precious metals and that can be active in the 350-550 C temperature range, with high selectivity and high stability. To this end, we adopted a multi-prong research strategy, that included catalyst formulation and synthesis, detailed catalyst characterization, reaction kinetics and reaction engineering, molecular modeling and economic analysis studies. Our approach was an iterative one, where the knowledge gained in one aspect of the study was utilized to modify and fine-tune catalyst development. The research addressed many ...

International Nuclear Information System (INIS)

The inhibitor action of unbranched polyamines on corrosion of low-carbon steel in 0.5 M sulfuric acid is studied through potentiostatic polarization curves. It is shown that the inhibitor efficiency I depends on the polyamine concentration and molecular structure. The quantum-mechanical calculations of molecular properties are accomplished through the MNDO method. Correlation between the measured I and physicochemical properties of the polyamine inhibitors in protonized and nonprotonized form is found with application of the general perturbation theory

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Peroxisome proliferator activated receptor-{gamma} (PPAR{gamma}) regulates metabolic homeostasis and adipocyte differentiation, and it is activated by oxidized and nitrated fatty acids. Here we report the crystal structure of the PPAR{gamma} ligand binding domain bound to nitrated linoleic acid, a potent endogenous ligand of PPAR{gamma}. Structural and functional studies of receptor-ligand interactions reveal the molecular basis of PPAR{gamma} discrimination of various naturally occurring fatty acid derivatives.

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Chapter 5, describes some of the most important molecular methods used in the study of chromosome structure and function. The methods discussed include fragmentation of DNA, cloning, flow cytometry and chromosome sorting, is situ hybridization, polymerase chain reaction (PCR), and yeast artificial chromosomes (YACs). 18 refs., 3 figs., 1 tab.

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The objective of this project is the development of a new class of metalloporphyrin materials used as catalsyts for use in fuel cell applications. The metalloporphyrins are excellent candidates for use as catalysts at both the anode and cathode. The catalysts reduce oxygen in 1 M potassium hydroxide, as well as in 2 M sulfuric acid. Covalent attachment to carbon supports is being investigated. The computer-aided molecular design is an iterative process, in which experimental results feed back into the design of future catalysts.

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Most chemical reactions in industry and biology are catalytic and play a role at some stage of the processing of about 80% of the goods manufactured in the U.S., yet catalysis is a neglected subject in chemical education. This book integrates the fragmentary treatment accorded the topic until now. It covers, in a unified way, catalysis in solutions, by enzymes, in synthetic polymers within the molecular scale cages of zeolites and other molecular sieves, and on surfaces of inorganic solids. The central ideas are chemical; and principles are illustrated by emphasizing industrial reactions and catalysts.

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The Gordon Research Conference (GRC) on 2004 Gordon Research Conference on Reversible Associations in Structure & Molecular Biology was held at Four Points Sheraton, CA, 1/25-30/2004. The Conference was well attended with 82 participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students.

Science.gov (United States)

In mammals and insects, paracellular blood barriers isolate the nervous system from the rest of the animal. Glia and accessory cells of the nervous system use pumps, channels, cotransporters, and exchangers collectively to maintain the extracellular ion environment and osmotic balance in the nervous system. At present, the molecular mechanisms that regulate this process remain unclear. In humans, loss of extracellular ion and volume regulation in the nervous system poses serious health threats. Drosophila is a model genetic organism with a proven track record for uncovering molecular mechanisms relevant to human health and disease. Here, we review what is known about extracellular ion and volume regulation in larval abdominal nerves, present some new data about the impact of neural activity on the extracellular environment, and relate the findings to mammalian systems. Homologies have been found at the level of morphology, physiology, ...

Science.gov (United States)

Eight phospholipases A2 (PLAs) and four three-finger-toxins (3FTx) from the pooled venom of Bungarus fasciatus (Bf) were previously studied and sequenced, but their expression pattern in individual Bf venom and possible geographic variations remained to be investigated. We herein analyze the individual venom of two Bf specimens from Kolkata (designated as KBf) to address this question. Seven PLAs and five 3FTx were purified from the KBf venoms, and respective cDNAs were cloned from venom glands of one of the snakes. Comparison of their mass and N-terminal sequence revealed that all the PLAs were conserved in both KBf venoms, but that two of their 3FTx isoforms were variable. When comparing the sequences of these KBf-PLAs with those published, only one was found to be identical to that of Bf Vb-2, and the other five were 94-98% identical to those of Bf II, III, Va, VI and XI-2, respectively. Notably, the most abundant PLA isoforms of Bf and KBf venoms contain Pro31 substitution. They ...

Energy Technology Data Exchange (ETDEWEB)

In situ assembly states of rat adipocyte glucose transport protein in plasma membrane (PM) and in microsomal pool (MM) were assessed by measuring target size (TS) of D glucose-sensitive, cytochalasin B binding activity. High energy radiation inactivated the binding in both PM and MM by reducing the total capacity of the binding (B/sub T/) without affecting the dissociation constant (K/sub D/). The reduction in B/sub T/ as a function of radiation dose was analyzed based on classical target theory, from which TS was calculated. TS in the PM of insulin-treated adipocytes was 58 KDa. TS in the MM of noninsulin-treated and insulin-treated adipocytes were 112 and 109 KDa, respectively. With MM, however, inactivation data showed anomalously low radiation sensitivities at low radiation doses showing a shoulder in the semilog plots, which may be due to an interaction with a radiation sensitive inhibitor. With these results, they propose the following model: Adipocyte ...

Science.gov (United States)

The evolutionary history of the reef fish genus Naso (F. Acanthuridae) was examined using a complete species-level molecular phylogeny of all recognized (19) species based on three loci (one nuclear ETS2 and two mitochondrial 16S, cyt b). This study demonstrates that distinct foraging modes and specialized body shapes arose independently at different times in the evolutionary history of the genus. Members of the subgenus Axinurus, characterized by a scombriform morphology, caudal fin structure and pelagic foraging mode, were consistently placed basal to the remaining Naso species, suggesting that pelagic foraging is plesiomorphic and benthic foraging derived in this genus. We used a genus-level phylogeny (nuclear marker, ETS2), which included several taxa from all other acanthurid genera, to obtain a range of age estimates for the most recent common ancestor of the genus Naso. These age estimates (range of 52-43.3 MY) were then used to estimate ...

Science.gov (United States)

This study addresses the modeling of transdermal diffusion of drugs, to better understand the permeation of molecules through the skin, and especially the stratum corneum, which forms the main permeation barrier of the skin. In transdermal delivery of systemic drugs, the drugs diffuse from a patch placed on the skin through the epidermis to the underlying blood vessels. The epidermis is the outermost layer of the skin and can be further divided into the stratum corneum (SC) and the viable epidermis layers. The SC consists of keratinous cells (corneocytes) embedded in the lipid multi-bilayers of the intercellular space. It is widely accepted that the barrier properties of the skin mostly arises from the ordered structure of the lipid bilayers. The diffusion path, at least for lipophilic molecules, seems to be mainly through the lipid bilayers. Despite the advantages of transdermal drug delivery compared to other drug delivery routes such as oral dosing and injections, the low ...

Science.gov (United States)

This paper explores effects of differential diffusion in nonpremixed turbulent jet flames. Pulsed Raman scattering spectroscopy is used to measure temperature and species concentrations in chemically reacting jets of H{sub 2}/CO{sub 2} into air, over a range of jet Reynolds numbers from 1,000 to 30,000 based on cold jet fluid properties. Results show significant effects of differential diffusion at all jet Reynolds numbers considered. Differential diffusion between H{sub 2} and C0{sub 2} produces differences between the hydrogen element mixture fraction ({xi}{sub H}) and the carbon element mixture fraction ({xi}{sub c}). The greatest effects occur on the rich side of stoichiometric, where {xi}{sub H} is observed to be smaller than {xi}{sub C} at all Reynolds numbers. Differential diffusion between H{sub 2} and H{sub 2}O creates a net flux of hydrogen element toward the stoichiometric contour and causes a local maximum in {xi}H that occurs near the stoichiometric ...

Energy Technology Data Exchange (ETDEWEB)

Efforts to assess and quantify deleterious effects from toxicants concentrate mainly on single agents whereas real world environmental and occupational exposures to natural and anthropogenic agents entail quite often the concomitant presence of several toxicants. For occupational important exposure situations, combined exposures to physical and chemical agents such as radon and smoking or asbestos and smoking, respectively, were shown to produce over-additive effects at exposure levels typical for earlier workplaces. Already the elucidation of possible health risks from a single agents, its dependence on exposure level, exposure rates, age at exposure and its expression in time is a complex endeavour. Therefore in the past and the present the main emphasis in radiation protection, toxicology, and public health is on the study and assessment of single toxicants. The existing data base on combined effect is rudimentary, mainly descriptive and rarely covers exposure ...

Energy Technology Data Exchange (ETDEWEB)

Technology is being developed for preparing functional materials by synthesizing new functional peptides in which non-natural amino acid needed for the functional manifestation is introduced, and by modifying the surface of a base plate such as silica glass by using such peptides. Activities were conducted in the three areas of (1) creation of functional molecules, (2) materialization technology, and (3) comprehensive investigation and research; the activities were carried out independently and parallelly in the first two areas. In (1), design technique for the structures and functions of peptides was developed, as were conformational control technique, synthesis of peptides having optical/electronic functions, peptide synthesis by an enzyme method, and R and D on introduction of non-natural amino acid into peptides; in (2), element technologies were developed such as substrate forming technique (pattern forming and thin film forming technology), substrate ...

Energy Technology Data Exchange (ETDEWEB)

Human chorionic gonadotropin (hCG) is a glycoprotein hormone, secreted by the syncytiotrophoblast cells of the fertilized ovum, that enters the maternal circulation at the time of endometrial implantation. It is composed of two nonidentical subunits; ..cap alpha.. and ..beta.., with molecular weights of 14 kD and 23 kD, respectively. Human chorionic gonadotropin binds to the same receptor as hLH and displays the same biological response, namely, to stimulate the declining function of the corpus luteum to produce progestins and estrogen late in the menstrual cycle. The differences in the structures of hCG and hLH have been exploited to develop antibodies that can measure hCG specifically in the presence of hLH. Two-site antibody binding assays have been developed, based on a surface immunological concept of hCG epitopes, that involve four distinct regions to which antibodies against hCG can bind simultaneously. Antibody cooperative effects, in ...

Science.gov (United States)

A factor produced by the plerocercoid stage of S. mansonoides mimics some, but not all, of the actions reported for hGH. The biological actions of plerocercoid growth factor (PGF) suggest structural similarity to human GH (hGH). Plerocercoid membranes were solubilized, and PGF was purified more than 1000-fold by hGH receptor affinity chromatography. The ability of purified PGF to displace [125I]hGH from monoclonal antibodies specific for four distinct nonoverlapping antigenic determinants of hGH and from an anti-hGH polyclonal antibody was tested in liquid phase RIA. All of the hGH antibodies cross-reacted with PGF, with potencies ranging from more than 60% to less than 1% that of the hGH standard. Of the four major epitopes of hGH defined by the monoclonal antibodies used in this study, only one is not represented to a significant extent in PGF. The epitope of hGH that is only marginally present in PGF is highly conformationally dependent, and a minor difference in the structure of ...

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International Nuclear Information System (INIS)

A formalism for the dynamical treatment of the molecular orbitals of valence nucleons in nucleus-nucleus collisions is developed with the use of the coupled-reaction-channel (CRC) method. The Coriolis coupling effects as well as the finite mass effects of the nucleon are taken into account in this model, of rotating molecular orbitals, RMO. First, the validity of the concept is examined from the viewpoint of the multi-step processes in a standard CRC calculation for systems containing two identical [core] nuclei. The calculations show strong CRC effects particularly in the case where the mixing of different l-parity orbitals - called hybridization in atomic physics - occurs. Then, the RMO representation for active nucleons is applied to the same systems and compared to the CRC results. Its validity is investigated with respect to the radial motion (adiabaticity) and the rotation of the molecular axis (radial and rotational ...

British Library Electronic Table of Contents (United Kingdom)

Globodera rostochiensis and Globodera pallida are parasitic root cyst nematodes of potato (PCN), which significantly reduce yield and quality. The genetics and available molecular markers should make resistance to nematodes an excellent candidate for marker assisted selection. The study presents results of testing the suitability of known molecular markers for detection of resistance in a set of cultivars. We revealed some inconsistencies in genealogical data of the cultivars and showed inconsistent usefulness in detecting resistant cultivars. The marker TG689 was identified in almost all cultivars resistant to G. rostochiensis and together with other markers was used for verifying the resistance in a group of breeding lines. The marker TG689 was the most effective. However, the efficiency...

British Library Electronic Table of Contents (United Kingdom)

Abstract The electrochemical properties of a perfluorosulfonic acid (PFSA) membrane are estimated using a combination of molecular dynamics simulation and statistical thermodynamic model. We obtain all parameters in an ionic conductivity model from an atomistic simulation and remove all adjusted model parameters. From a microscopic point of view, the hydrated PFSA membrane shows micro-phase segregation which separated into hydrophilic and hydrophobic phases. Our present work originates with this phenomenon and we treat this phase segregation as if it is a continuous phase for each of which the proton (H+) is transported inside the PFSA membrane/solvent (water and alcohols) mixture. The chemical potential for a given system is estimated using a molecular simulation technique to predict the ...

Energy Technology Data Exchange (ETDEWEB)

This paper reviews the molecular biology of the renin-angiotensin system. The renin gene structure is analyzed in detail, including an examination of the putative regulatory regions. The combined action of these regulatory sequences would result in the complex, tissue-specific expression and regulation observed in vivo. The expression of the tissue renin-angiotensin systems, which may have important physiological functions, is also described. In addition, the pathway of renin biosynthesis and secretion is reviewed. This includes speculation on the fate of circulating prorenin and the physiological role of multiple renin forms and secretory pathways. The molecular approaches described in this paper have greatly advanced our knowledge of the biology of the renin-angiotensin system. Future studies using these and other approaches should provide further insight into this complex system.

Energy Technology Data Exchange (ETDEWEB)

The interfaces between metal electrodes and electroactive organic materials are important for the performance of organic electronic devices. One way of optimizing the anode/organic interface is the insertion of a (sub-)monolayer of molecular acceptors. Here we present an UPS study of new electron acceptor molecules deposited on Au(111), Cu(111) and Ag(111). This study intends to improve the understanding of how the interactions of specific electron withdrawing groups with metal surfaces are correlated with observed modifications of interfacial electron density distribution, work function change ({delta}{phi}), and the energy level alignment. We find that {delta}{phi}, which is the difference between the work function ({phi}) of the clean metal surface and {phi} after formation of a molecular monolayer, is a monotonic function of initial {phi} of the metal. Two different slopes were observed for acceptors with cyano and those with keto or nitro ...

International Nuclear Information System (INIS)

The antisymmetric many-body trial state which describes a system of interacting fermions is parametrized in terms of localized wave packets. The equations of motion are derived from the time-dependent quantum variational principle. The resulting fermionic molecular dynamics (FMD) equations include a wide range of semi-quantal to classical physics extending from deformed Hartree-Fock theory to newtonian molecular dynamics. Conservation laws are discussed in connection with the choice of the trial state. The model is applied to heavy-ion collisions with which its basic features are illustrated. The results show a great variety of phenomena including deeply inelastic collisions, fusion, incomplete fusion, fragmentation, neck emission, promptly emitted nucleons and evaporation. ((orig.)).

British Library Electronic Table of Contents (United Kingdom)

Abstract Localized regions of enhanced emission from HCO+, NH3 and other species near Herbig-Haro objects (HHOs) have been interpreted as arising in a photochemistry stimulated by the HHO radiation on high-density quiescent clumps in molecular clouds. Static models of this process have been successful in accounting for the variety of molecular species arising ahead of the jet; however, recent observations show that the enhanced molecular emission is widespread along the jet as well as ahead. Hence, a realistic model must take into account the movement of the radiation field past the clump. It was previously unclear as to whether the short interaction time between the clump and the HHO in a moving source model would allow molecules such as HCO+ to reach high enough levels, and to survive fo...

Science.gov (United States)

Hydrogen molecule adsorption on the (0001) surface of double hexagonal closed packed americium has been studied in detail within the framework of density functional theory. Weak molecular hydrogen adsorptions were observed. The most stable configuration corresponded to a Hor2 approach molecular adsorption at the one-fold top site where the molecule's approach is perpendicular to a lattice vector. Adsorption energies and adsorption geometries for different adsorption sites will be discussed. The change in work functions, magnetic moments, partial charges inside muffin-tins, difference charge density distributions and density of states for the bare Am slab and the Am slab after adsorption of the hydrogen molecule will be discussed. Reaction barrier for the dissociation of hydrogen molecule will be presented. The implications of adsorption on Am 5f electron localization-delocalization will be summarized.

Energy Technology Data Exchange (ETDEWEB)

An atom-by-atom understanding of life processes is emerging from a flurry of experiments fueled by synchrotron sources and DNA technology. {copyright} 1995 {ital American} {ital Institute} {ital of} {ital Physics}.

Energy Technology Data Exchange (ETDEWEB)

This patent describes a process for the conversion of low molecular weight alkanes to higher molecular weight hydrocarbons. It comprises: contacting the low molecular weight alkanes, at an elevated temperature, with oxygen and a catalyst of the formula Zn{sub a}A{sub b}M{sub c}M'{sub d}O{sub x} wherein A is Li, Na, K, or mixtures thereof; M is Al, Ga, Cr, La, Y, Sc, V, Nb, Ta, Cu or mixtures thereof; M' is Cs, Rb, Mg, Ca, Sr, Ba, Sm, Pb, Mn, Sb, P, Sn, Bi, Ti, Zr, Hf, or mixtures thereof; a if from about 1 to about 20; b is from about 0.1 to about 20; c is from about 0 to about 5 d is from about 0 to about 20, and x is a number needed to fulfill the valence requirements of the other elements; provided that at least one c and d is a t least 0.1; and when M' is Sn, c must be at least 0.1.

UK PubMed Central (United Kingdom)

The ability to enter a hypometabolic state upon restriction of caloric intake is pivotal for animal survival: balancing the energy budget in endotherms can be a real struggle when food is not...Full Text Available

UK PubMed Central (United Kingdom)

PurposeTo date there remains no effective therapy for metastatic melanoma and at the molecular level disease progression remains poorly understood. Recent work by...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundDuring the last ten years, major advances have been made in characterizing and understanding the evolution of mitochondrial DNA, the most popular marker of molecular biodiversity....Full Text Available

UK PubMed Central (United Kingdom)

Surface glandular trichomes distributed throughout the aerial parts of sweet basil (Ocimum basilicum) produce and store monoterpene, sesquiterpene, and phenylpropene volatiles. Three...Full Text Available

International Nuclear Information System (INIS)

In this study, free electron laser (FEL) with selective wavelength was used to induce structure changes of biomolecules, which were characterized by FTIR spectroscopy. For understanding of the interactions between FEL and biomolecules as well as biological tissues, the biomolecules investigated are ATP, ADP, AMP, t-RNA, D-ribose and the complex of SmCl_3-D-ribose. Their FTIR spectra before and after irradiation of FEL show molecular structure variations of the samples after irradiation of FEL, especially the rearrangement of their hydrogen bond networks. Along with the various irradiation wavelengths, irradiation time and molecular structures, the changes after irradiation are different for these molecules. In the FTIR spectra after irradiation, the phenomenon that the bands split into several peaks indicates the existence of several structures, conformations and configurations, which may be prompted by multiple photons process induced by FEL. ...

UK PubMed Central (United Kingdom)

BackgroundThe molecular mechanisms of variations in individual longevity are not well understood, even though longevity can be increased substantially by means of diverse experimental...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundSpindle cell carcinoma (SpCC) is a rare microscopic type of cancer of the mouth and oropharynx. Although SpCC is thought to arise from squamous cell carcinoma (SCC), it...Full Text Available

UK PubMed Central (United Kingdom)

The effects of selected ligands on the structure of the truncated heavy-chain chemomechanical motor domains of Drosophila ncd and human kinesin were compared using the technique of transient electric...Full Text Available

UK PubMed Central (United Kingdom)

PurposeA prolonged seizure, status epileptics (SE), is a potent stimulus for increased neurogenesis in the dentate gyrus of the hippocampus. Molecular mechanisms...Full Text Available

UK PubMed Central (United Kingdom)

Schindler disease is a recently recognized infantile neuroaxonal dystrophy resulting from the deficient activity of the lysosomal hydrolase, alpha-N-acetylgalctosaminidase (alpha-GalNAc). The recent...Full Text Available

UK PubMed Central (United Kingdom)

The increasing demand for molecular diagnostics in clinical microbiology laboratories necessitates automated sample processing. In the present study, we evaluated the performance of the MagNA Pure LC...Full Text Available

UK PubMed Central (United Kingdom)

The fauna of ancient lakes frequently contains taxa with highly derived morphologies that resulted from in situ radiation of lacustrine lineages with high antiquity. We employed a molecular...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

In a process for separating insoluble red mud from Bayer process streams the improvement is described which comprises contacting and mixing a Bayer process stream with a tertiary polyamine having a molecular weight of at least about 10,000 in an amount effective to reduce the iron content thereof.

UK PubMed Central (United Kingdom)

Protein modifications such as phosphorylation are often studied by two-dimensional gel electrophoresis since the perturbation in the protein’s pI value is readily detected by this method....Full Text Available