International Nuclear Information System (INIS)

... kinetics chemical reactions energy dependence ion-molecule collisions milli

Energy Technology Data Exchange (ETDEWEB)

A theoretical analysis of formation and symmetry transformations is presented for Wigner molecules with N = 2,..., 20 electrons confined in quantum dots at high magnetic fields. Using the unrestricted Hartree-Fock method with the multicentre Gaussian basis, we have found that Wigner molecules with N {>=} 6 abruptly change their shape and symmetry with an associated jump in the first derivative of the ground-state energy, i.e. they undergo phase transitions. In particular, the phases of the Wigner molecules obtained just after emerging from the maximum-density droplet (MDD) phase possess a different symmetry from that formed at a high magnetic field. We show that the properties of the electron-electron interaction energy demonstrate very well both the breakdown of the MDD and the quasi-classical character of the Wigner molecule in the high magnetic field. ...

UK PubMed Central (United Kingdom)

The pleiotropic actions of neuromodulators on pre- and postsynaptic targets present challenges to disentangling the mechanisms underlying regulation of synaptic transmission. Within the striatum,...Full Text Available

International Nuclear Information System (INIS)

Aqueous deoxyhemoglobin solutions (2 mg/ml) were gamma-irradiated by a "6"0Co source in the presence of methanol, ethanol, 1-butanol and t-butanol under N_2O or argon. The effects of the interaction of the particular alcohol radical species with hemoglobin were determined according to the detected spectral alterations in the visible range. The amounts of stable final products in the form of methemoglobin (MetHb) and the sum of hemichromes and cholehemichromes (Hemichr) were estimated in irradiated preparations. For preparations irradiated under N_2O, the radiation yield for MetHb formation was three-fold lower in the presence of ethanol and 1-butanol [G(MetHb) = 0.33[ compared with preparations irradiated in the presence of t-butanol or without alcohol [G(MetHb) = 1.00[. The yield of hemichromes and cholehemichromes in preparations irradiated under N_2O ...

International Nuclear Information System (INIS)

Assessment of the roles of the carboxyl-terminal #beta#146 histidyl residues in the alkaline Bohr effect in human and normal adult hemoglobin by high-resolution proton nuclear magnetic resonance spectroscopy requires assignment of the resonances corresponding to these residues. By a careful spectroscopic study of human normal adult hemoglobin, enzymatically prepared des(His146#beta#)-hemoglobin, and the mutant hemoglobins Cowtown (#beta#146His #-># Leu) and York (#beta#146His #-># Pro), the authors have resolved some of these conflicting results. By a close incremental variation of pH over a wide range in chloride-free 0.1 M N-(2-hydroxyethyl)piperazine-N'-2-ethanesulfonic acid buffer, a single resonance has been found to be consistently missing in the proton nuclear magnetic resonance spectra of these hemoglobin variants. The results indicate that the contribution of the #beta#146 histidyl ...

International Nuclear Information System (INIS)

... argon carbon dioxide cations electric fields gases helium ion mobility molecular

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

International Nuclear Information System (INIS)

For pt.I see ibid., vol.516, p.426-48, 1998. Manifest N=2 supersymmetric hypermultiplet mass terms can be introduced in the projective N=2 superspace formalism. In the case of complex hypermultiplets, where the gauge covariantized spinor derivatives have an explicit representation in terms of gauge prepotentials, it is possible to interpret such masses as vacuum expectation values of an Abelian vector multiplet. The duality transformation that relates the N=2 off-shell projective description of the hypermultiplet to the on-shell description involving two N=1 chiral superfields allows us to obtain the massive propagators of the N=1 complex linear fields in the projective hypermultiplet. The N=1 massive propagators of the component superfields in the projective hypermultiplet suggest a possible ansatz for the N=2 massive ...

Energy Technology Data Exchange (ETDEWEB)

In order to establish coal NOx preventive measures, discussions were given on formation of N2 in the fixed-bed pyrolysis of low rank coals and the mechanisms thereof. Chinese ZN coal and German RB coal were used for the discussions. Both coals do not produce N2 at 600{degree}C, and the main product is volatile nitrogen. Conversion into N2 does not depend on heating rates, but increases linearly with increasing temperature, and reaches 65% to 70% at 1200{degree}C. In contrast, char nitrogen decreases linearly with the temperature. More specifically, these phenomena suggest that the char nitrogen or its precursor is the major supply source of N2. When mineral substances are removed by using hydrochloric acid, their catalytic action is lost, and conversion into N2 decreases ...

International Nuclear Information System (INIS)

Cross-sections for "8"4Sr(n, 2n)"8"3Sr, "8"6Sr(n, 2n)"8"5"mSr, "8"6Sr(n, 2n)"8"5Sr, "8"8Sr(n, 2n)"8"7"mSr, "8"4Sr(n, p)"8"4Rb, "8"6Sr(n, p)"8"6Rb, "8"8Sr(n, p)"8"8Rb and "8"8Sr(n, #alpha#)"8"5"mKr reactions have been measured at neutron energies from 13.5 to 14.6 MeV using activation technique and by means of #gamma#-ray spectrometry. The neutron flux was determined using the monitor reaction "9"3Nb(n, 2n)"9"2"mNb and the neutron energies were measured by the method of cross-section ratios for "9Zr(n, 2n)"8"9Zr to "9"3Nb (n, 2n)"9"2"mNb reactions. The results of present work are compared with data published previously.

Science.gov (United States)

A way to synthesize the transient zwitterionic silylene L'Si: 8 {L'=CH[(C=CH(2))CMe(N(tBu))(2)]} and achieve its facile dimerization to the remarkable N-heterobicyclic disilane 8(2) is described. At first, employing the beta-diketiminate ligand L [L=CH(CMeN(tBu))(2)], both starting materials LH (2) and its N-lithium salt LLi (3) can react with SiBr(4) to yield the silylene precursor L'SiBr(2) (4) by silicon-induced C-H activation at an exocyclic methyl group on the backbone of the ligand. Compound 4 reacts with SiBr(4) above room temperature to afford the unexpected terminal CH(SiBr(3))-substituted dibromosilane 6 along with the unique tricyclic trisilane 7. Reduction of 4 with KC(8) at 0 degrees C furnishes the novel N-heterobicyclic disilane 8(2), which is a formal dimer of the desired zwitterionic silylene L'Si: (8). It has been reasoned that compound 8(2) may results from [4+1] cycloaddition of two molecules of 8 to give the transient dimer 8(2)', which ...

KoreaScience (Korea)

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British Library Electronic Table of Contents (United Kingdom)

The fossil fuel consumption and pollutant emissions in a coal fired fluidized bed boiler could be reduced by biomass pyrolysis gas reburning. The influence of three kinds of biomass pyrolysis gases on the emission of N2O in a laboratory scale fluidized bed was investigated using the mechanism of GRI3.0 in this paper. The results showed that: the effect of sawdust pyrolysis gas reburning on N2O was more significant than that of rice husk and orange peel under the same conditions; the increase of initial oxygen content from 1% to 8% in flue gas would restrain the decomposition of N2O; the N2O decomposition was enhanced by increasing reaction temperature from 1073.15 K to 1323.15 K, and the decomposition rate may reach 99% at 1223.15 K.

Energy Technology Data Exchange (ETDEWEB)

A method to identify hadronic molecules in the particle spectrum is reviewed and the conditions for its applicability discussed. Special emphasis is put on the discussion of molecule candidates in the baryon spectrum. (orig.)

Energy Technology Data Exchange (ETDEWEB)

In a systematic survey of ternary fission induced by thermal neutrons at the Lohengrin spectrometer of the ILL/Grenoble, the target nucleus {sup 249}Cf has recently been added to the list of actinides under study. Special emphasis was put on the search for the heaviest ternary particles. At the limit of detection (some 10{sup -9} per fission), the heaviest isotopes observed for {sup 249}Cf(n{sub th},f) are {sup 37}Si and {sup 37}S. Another rare process in low energy fission is quaternary fission. Here two light charged particles accompany the main fragments. The reaction {sup 233} U(n,f) has been studied at a cold neutron beam of the ILL. Two processess have to be disentangled: simultaneous and sequential quaternary fission. In the simultaneous decay the most probable combination of particles is ({alpha} + {alpha}) with a yield of {approx}10{sup -7}/fission.

British Library Electronic Table of Contents (United Kingdom)

Based on terror management theory, previous research has shown that terrorism threat increases prejudice against Muslims and is mediated by death-related thoughts. Because this effect was found on a correlational level, it remains unclear whether terrorism threat increases prejudice against Muslims because of enhanced death-related thoughts or the opposite: terrorism threat increases death-related thoughts because of stronger prejudice against Muslims. To disentangle this shortcoming, we varied death-related thoughts by systematically manipulating the belief in literal immortality. Using two studies, we found that participants exposed to terrorism pictures (vs. controls) had increased prejudice against both Muslims (Study 1) and immigrants (Study 2) when they were led to believe that liter...

British Library Electronic Table of Contents (United Kingdom)

Nest locations of breeding birds are often spatially clustered. This tendency to nest together has generally been related to a patchy distribution of nesting habitat in landscape studies, but behavioral studies of species with clustered breeding patterns draw attention to the importance of social and biotic factors. Indeed, it is becoming increasingly apparent that the breeding system of many territorial, migrant birds may be semi-colonial. The reasons for, and extent of, spatial clustering in their breeding systems are not well understood. Our goal was to tease apart the influence of habitat availability and social drivers of clustered breeding in a neotropical migrant species, the hooded warbler (Wilsonia citrina). To test alternative hypotheses related to clustered habitat or conspecifi...

Science.gov (United States)

Not Available

Energy Technology Data Exchange (ETDEWEB)

The effect of combustion conditions on conversion of char nitrogen to N2 was studied in the combustion experiment of char obtained by pyrolysis of coal. Char specimen was prepared by holding ZN coal of Chinese lignite in Ar atmosphere at 1123K for one hour. A batch scale quartz-made fluidized bed reactor was used for combustion experiment. After the specimen was fluidized in reaction gas, it was rapidly heated to start combustion reaction. CO, CO2 and N2 in produced gases were online measured by gas chromatography (GC). As the experimental result, under the incomplete combustion condition where a large amount of CO was produced by consuming almost all of O2, no NOx and N2O produced from char were found, and almost all of N-containing gas was N2. At the final stage of combustion, pyridinic-N disappeared completely, and ...

British Library Electronic Table of Contents (United Kingdom)

The characteristics of diffuse glow discharges in pure argon and the Ar + 1%N2 mixture at pressures of 2?80 Torr were studied experimentally and numerically. The discharge operated in a molybdenumglass tube with an inner diameter of 2.8 cm and interelectrode distance of 75 cm. The current-voltage characteristic of the discharge and the populations of the N2(B3? g ) and N2(C3? u ) states were measured. It is shown that, at relatively low pressures (P 15 Torr), the current-voltage characteristic of a discharge in the mixture lies lower than that in pure argon. As the pressure increases, the effect of the reduction in the discha...

International Nuclear Information System (INIS)

We interpret N=2 superconformal field theories (SCFTs) formulated by Kazama and Suzuki via Goddard-Kent-Olive (GKO) construction from a viewpoint of the Lie algebra cohomology theory for the affine Lie algebra. We determine the cohomology group completely in terms of a certain subset of the affine Weyl group. We find that this subset describing the cohomology group can be obtained from its classical counterpart by the action of the Dynkin diagram automorphisms. Some algebra automorphisms of the N=2 superconformal algebra are also formulated. Utilizing the algebra automorphisms, we study the field identification problem for the branching coefficient modules in the GKO-construction. Also the structure of the Poincare polynomial defined for each N=2 theory is revealed. (orig.).

CERN Document Server

We study N=2 SuperVirasoro SCFT for the generic value of the central charge. The main tool is the nonstandard bosonisation suggested in \\ref\\rRoz{L. Rozansky a letter to M. Bershadsky, 1989}, \\ref\\rSeBGR{B. Gato-Rivera, A. Semikhatov Phys. Letts. B293 (1992) 72},\\ref\\rBLNW{M. Bershadsky, W. Lerche, D. Nemeshansky, N. Warner N=2 Extended superconformal structure of Gravity and W Gravity coupled to Matter HUTP-A034/92}. The free field resolutions for the irreducible representations are obtained; the characters of these representations are computed. The quantum hamiltonian reduction from the Kac-Moody $\\hat{sl}_k(2|1)$ to N=2 $SVir$ is constructed.

Energy Technology Data Exchange (ETDEWEB)

The discovery of nearly sixty molecules, often unstable or complexes, in the interstellar space has been one of the greatest surprises of contemporary astronomy. We may, indeed, be surprised that molecules having up to 13 atoms might be synthetized in an extremely diluted space and at a very low temperature. That these molecules are, most of all, organic molecules is another astonishing subject, at least for the non-specialist. The interstellar molecule formation is indeed well understood nowadays, at least for the simplest ones. This article takes stock of interstellar chemistry which is essentially an ionic chemistry very different from laboratory chemistry.

International Nuclear Information System (INIS)

We study the relationship between tachyons in N=2 superconformal tensor product models and topology changing of the defining polynomial of corresponding algebraic varieties. We show that monomials which correspond to tachyons change the topology of the defining polynomial if they are added whereas those corresponding to massless and massive fields do not. (orig.).

International Nuclear Information System (INIS)

We have performed ab initio calculations on a wide range of small molecules, demonstrating the accuracy and flexibility of an alternative method for calculating the electronic structure of molecules, solids, and surfaces. It is based on the local-density approximation (LDA) for exchange and correlation and the nonlinear augmented-plane-wave method. Very accurate atomic forces are obtained directly. This allows for implementation of Car-Parrinello-like techniques to determine simultaneously the self-consistent electron wave functions and the equilibrium atomic positions within an iterative scheme. We find excellent agreement with the best existing LDA-based calculations and remarkable agreement with experiment for the equilibrium geometries, vibrational frequencies, and dipole moments of a wide variety of molecules, including strongly bound homopolar and polar molecules, hydrogen-bound and ...

Energy Technology Data Exchange (ETDEWEB)

Three typical Japanese coals of non-coking coal, coking coal and anthracite were heat-treated with KOH, and change in their pore structure was examined by absorption of N2, X-ray diffraction and TEM observation. In addition, the relation between a coal rank and pore structure was also studied by absorption experiment of N2. In experiment, the mixture of coal and KOH in a nickel holder was heat-treated in N2 gas flow at heating rate of 2{degree}C/min, and held at a fixed temperature for one hour. To clarify the pore structure, N2 absorption isotherms were measured at -196{degree}C under nearly 76cmHg using a commercially available full-automatic absorption measurement equipment. Based on the X-ray diffraction and TEM observation results on activated coals, the relation between the ...

Science.gov (United States)

We present an x-ray magnetic circular dichroism (XMCD) study performed on both Ho{sub 6}Fe{sub 23} and Y{sub 6}Fe{sub 23} compounds as a function of the temperature. The combined analysis of both Fe K-edge and Ho L{sub 2,3}-edge XMCD spectra recorded through the magnetic compensation transition allows us to disentangle the thermal dependence of both Fe and Ho magnetic moments in Ho{sub 6}Fe{sub 23}. In addition, contributions from Ho ions to the Fe K-edge XMCD signals and, conversely, from Fe ions to the Ho L{sub 2,3}-edge XMCD spectra have been clearly identified. These extra contributions, arising from the strong Fe(3d)-Ho(5d) hybridization, have been isolated from the spectra and correlated with the magnetic state of both Ho and Fe ions surrounding the absorbing site. The influence of these contributions to the values of the orbital and spin moments derived by using sum rule analysis is also shown.

Energy Technology Data Exchange (ETDEWEB)

The deexcitation of quasi-projectiles (QP) released in binary Au on Au collisions as been studied from 60 to 100 MeV/u. Bimodality between two different decay patterns has been observed for intermediate violence collisions. The main experimental result is that the system jumps from one mode to the other on a narrow range of energy deposit and/or impact parameter. The sorting of the events (according to the violence of the collision) has been provided by the perpendicular energy of the light charged particles emitted on the quasi-target side. Such a sorting prevents spurious autocorrelation effects between the sorting variable and the observed mechanism. The two modes of the QP decay correspond on the one side to residue or fission fragments production, and on the other side to the multifragmentation channel. A detailed study has been performed in order to try to establish the origin of the observed bimodality in disentangling dynamical or geometrical effects from ...

Energy Technology Data Exchange (ETDEWEB)

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

UK PubMed Central (United Kingdom)

The kinetic parameters of single bonds between neural cell adhesion molecules were determined from atomic force microscope measurements of the forced dissociation of the homophilic protein-protein bonds....Full Text Available

UK PubMed Central (United Kingdom)

The mechanism by which mechanical force regulates the kinetics of a chemical reaction is unknown. Here, we use single-molecule force–clamp spectroscopy and protein engineering to study the effect...Full Text Available

Science.gov (United States)

... transition to couple the emitted spontaneous radiation with the ammonia molecules and thus provide more amplification [2]. ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

We obtain conformal invariant topological field theories with N = 2 supersymmetry by twisting Sevrin, Troost and Van Proeyen's SU(2) x SU(2) x U(1) extended N = 4 superconformal field theories. We expect that the number of physical states is finite although the original N = 4 theories have continuous spectra. It is shown that the number of physical states is actually finite when the central charge c < 6 in the corresponding N = 4 theories. The physical states inherit the structure of the chiral ring in N = 2 superconformal minimal series which is obtained by the reduction from N = 4 theories. We also show that the algebra contains the topological N = 4 superconformal algebra as subalgebra. Therefore a closed set of a finite number of physical states in the topological N = 1 superconformal algebra can also be obtained. (orig.).

International Nuclear Information System (INIS)

Measurements are made of the isomeric ratio for the (n,2n) and (#betta#,n) reactions on the neutron-deficient nuclei _9_2Mo, _9_0Zr, _8_6Sr and _7_4Se. A method is developed for calculating the isomeric ratio for a low excitation energy of the residual nucleus. The good agreement found between experimental results and calculations for the (#betta#,n) reaction confirms the choices of residual nucleus characteristics, transmission coefficients of neutrons emitted etc. used in the calculations. The results of a study of the (n,2n) reaction were used to find the spin dependences of nuclear level density in the excitation energy region approx. 14 MeV. (author).

CERN Document Server

Radiation damage is considered to be the major problem that still prevents imaging an individual biological molecule for structural analysis. So far, all known mapping techniques using sufficient short wave-length radiation, be it X-rays or high energy electrons, circumvent this problem by averaging over many molecules. Averaging, however, leaves conformational details uncovered. Even the anticipated use of ultra-short but extremely bright X-ray bursts of a Free Electron Laser shall afford averaging over 10^6 molecules to arrive at atomic resolution. Here we present direct experimental evidence for non-destructive imaging of individual DNA molecules. In fact, we show that DNA withstands coherent low energy electron radiation with deBroglie wavelength in the Angstrom regime despite a vast dose of 10^8 electrons/nm^2 accumulated over more than one hour.

Energy Technology Data Exchange (ETDEWEB)

The aim of this project is to investigate the dependence of the cross sections for dissociative electron attachment to a molecule on the initial rovibrational state of the molecule. An enhancement of the cross section results in the enhancement of the rate of production of negative ion beams. Preliminary investigations reveal that for lithium dimers, Li/sub 2/, the peak attachment cross sections can increase by almost an order of magnitude if the molecule is initially vibrationally excited to the v = 1 level. Excitation to higher vibrational levels would result in further enhancement of the attachment rates. As part of present investigations, the cross sections for vibrational excitation of various molecules, using both resonant and nonresonant mechanisms is calculated.

Energy Technology Data Exchange (ETDEWEB)

The paper gives results of a study to identify active sites and surface functional groups that may contribute to the absorption of elemental mercury (Hg) by relatively inexpensive calcium (Ca)-based sorbents. The study investigated the formation of chlorine (Cl) sites in CA-based sorbents as well as their role and reactivity in the absorption of Hg. HCl-exposed calcium sulfate dihydrate (gypsum) exhibited a superior Hg sorption capability. Crystalline water molecules on the surface of the gypsum were confirmed to contribute indirectly to Hg uptake. These surface molecules may have absorbed HC1 through hydrogen bond formation between an oxygen atom of a crystalline water molecule and a hydrogen atom of an HCl molecule. Two adjacent, physically absorbed HCl molecules could then trap an Hg molecule through formation of a mercuric-chloride-like ...

CERN Document Server

Recently we discovered and discussed non-Abelian duality in the quark vacua of N=2 super-Yang-Mills theory with the U(N) gauge group and N_f flavors (N_f>N). Both theories from the dual pair support non-Abelian strings which confine monopoles. Now we introduce an N=2-breaking deformation, a mass term \\mu{\\mathcal A}^2 for the adjoint fields. Starting from a small deformation we eventually make it large which enforces complete decoupling of the adjoint fields. We show that the above non-Abelian duality fully survives in the limit of N=1 SQCD, albeit some technicalities change. For instance, non-Abelian strings which used to be BPS-saturated in the N=2 limit, cease to be saturated in N=1 SQCD. Our duality is a distant relative of Seiberg's duality in N=1 SQCD. Both share some common features but have drastic distinctions. This is due to the fact that ...

International Nuclear Information System (INIS)

The details and principles of an apparatus built for measurements of fluorescence quantum yields and cascade-free lifetimes of open-shell cations are reported. These rely on the detection of coincidences between energy selected photo-electrons and undispersed photons. The results of such measurements for CO"+_2,COS"+,CS"+_2 and N_2O"+ in selected vibrational levels of their excited states are presented. Non-unity fluorescence quantum yields are found for some vibronic levels of CO"+_2(B), COS"+(A), N_2O"+(A) and a non-exponential decay is observed for CS"+_2(B). The data yield the following values for the radiative lifetimes: CO"+_2(A) 124 +- 6 ns,CO"+_2(B) 140 +- 7 ns, COS"+(A) 550 +- 50 ns and N_2O"+(A) 240 +- 12 ns. (orig.).

Environmental Research Database

ObjectivesThe specific objectives of the research are to: 1. Determine the concentrations of N2O, NO and NO2 in tropical coastal waters in relation to nutrients and salinities. 2. Determine, with excess nitrate present, the potential for nitrate reduction and denitrification in sediments along tropical estuaries, and whether NO, NO2, N2O, N2 or NH4+ are significant products. 3. Establish the balance between denitrification, nitrate ammonification and anammox in tropical estuarine sediments, relative to [continued...]DescriptionThe coastal zone is extremely important in the biogeochemical processes which control the natural cycle of elements of the Earth. In particular, the coastal zone contributes significantly to the nitrogen cycle, removing nitrogen washed in from the land by rivers and so reducing its fertilizing impact on the coastal seas. However, these ...

International Nuclear Information System (INIS)

Cross sections for (n,2n) (n,p) (n,#alpha#), and (n,d*)"1 reactions have been measured on ruthenium isotopes at the neutron energies of 13.5 to 14.8 MeV using the activation technique in combination with high-resolution gamma-ray spectroscopy. Data are reported for the following reactions: "1"0"4Ru(n,2n)"1"0"3Ru, "9"8Ru(n,2n)"9"7Ru, "9"6Ru(n,2n)"9"5Ru, "9"6Ru(n,p)"9"6Tc"g, "9"6Ru(n,p)"9"6Tc"m, "1"0"4Ru(n,p)"1"0"4Tc, "1"0"2Ru(n,p)"1"0"2Tc"m, "1"0"4Ru(n,#alpha#)"1"0"1Mo, "1"0"2Ru(n,#alpha#)"9"9Mo, "9"6Ru(n,#alpha#)"9"3Mo"m, and "9"6Ru(n,d*)"9"5Tc"m. Results were discussed and compared with the previous works.

International Nuclear Information System (INIS)

The sheath plasma characteristics changing with the negative bias applied to the substrate during electron cyclotron resonance plasma nitriding are studied. The sheath characteristics obtained by a Langmuir single probe and an ion energy analyzer show that when the negative bias applied to the substrate is increasing, the most probable energy of ions in the sheath and the full width of half maximum of ions energy distribution increase, the thickness of the sheath also increases, whereas the saturation current of ion decreases. It has been found from the optical emission spectrum that there are strong lines of N_2 and N_2"+. Based on the experiment results the mechanism of plasma nitriding is discussed

DEFF Research Database (Denmark)

There is very little known about the long-term evolution of the MHC and MHC-like molecules. This is because both the theory (the evolutionary questions and models) and the practice (the animals systems, functional assays and reagents to identify and characterize these molecules) have been difficult to develop. There is no molecular evidence yet to decide whether vertebrate immune systems (and particularly the MHC molecules) are evolutionarily related to invertebrate allorecognition systems, and the functional evidence can be interpreted either way. Even among the vertebrates, there is great heterogeneity in the quality and quantity of the immune response. The functional evidence for T-lymphocyte function in jawless and cartilagenous fish is poor, while the bony fish seem to have many characteristics of a mammalian immune system. The organization and sequence of fish Ig genes also indicate that important events in the ...

International Nuclear Information System (INIS)

The interaction of free electrons in the energy range from 0 to 10 eV with molecules at different stages of aggregation is investigated. The mechanism in the gas phase under single collision conditions is described. Fullerenes C_6_0 and C_7_0 are used as targets. Electron impact on condensed molecules can lead to temporary negative ions. The formation of Cl"- from gas phase CCl_4 and the desorption of Cl"- from 6 monolayer CCl_4 film on an Au substrate is determined experimentally. (Suda).

Science.gov (United States)

... the ct-neurotoxin from Dendroaspis viridis venom (a-DTX) , which binds to four sites on the AcChR molecule (Conti-Tronconi & Raftery 1986). ...

UK PubMed Central (United Kingdom)

There is considerable evidence that purines are vasoactive molecules involved in the regulation of blood flow. Adenosine is a well known vasodilator that also acts as a modulator of the response to...Full Text Available

UK PubMed Central (United Kingdom)

Schizophrenia is a heterogeneous psychiatric disorder in which multiple neurotransmitter systems have been implicated. Increased and decreased dopamine transmission in the subcortical meso-limbic and...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

On efficient glass capillary columns packed with graphitized thermal carbon black (GTCB) the stereoisomers of aromatic and saturated tricyclic hydrocarbons are completely separated and identified. The Henry's adsorption constants of the individual isomers were determined from mixture at different temperatures. Five isomers of perhydroanthracene, five isomers of perhydrofluorene, two isomers of perhydrophenalene, four isomers of perhydroacenaphthene, as well as phenalene, dihydrophenalene, acenaphthene and acenaphthylene were investigated. The increase of the hydrogenization degree of unsaturated tricyclic hydrocarbons reduces the retention. Among the saturated tricyclic isomers the retention becomes shorter with the larger bending of the molecules, i.e. from the molecule having more equatorial bonds to the molecules having more axial connections. The experimentally determined Henry's constants were ...

Energy Technology Data Exchange (ETDEWEB)

The present invention relates generally to an apparatus and method for separating high molecular weight molecules from low molecular weight molecules. More specifically, the invention relates to the use of microdialysis for removal of the salt (low molecular weight molecules) from a nucleotide sample (high molecular weight molecules) for ESI-MS analysis. The dialysis or separation performance of the present invention is improved by (1) increasing dialysis temperature thereby increasing desalting efficiency and improving spectrum quality; (2) adding piperidine and imidazole to the dialysis buffer solution and reducing charge states and further increasing detection sensitivity for DNA; (3) using low concentrations of dialysis buffer and shifting the DNA negative ions to higher charge states, producing a nearly 10-fold increase in detection sensitivity and a slightly decreased desalting efficiency, or (4) ...

UK PubMed Central (United Kingdom)

Since the elucidation of the structure of double helical DNA, the construction of small molecules that recognize and react at specific DNA sites has been an area of considerable interest. In...Full Text Available

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)

The nitric oxide molecule is being studied in order to understand the energetics and chemistry of initiation and detonation in liquid NO at the molecular level. An overview is presented of the work being done. (DLC)

UK PubMed Central (United Kingdom)

Diffusion in the extracellular space (ECS) of the brain is constrained by the volume fraction and the tortuosity and a modified diffusion equation represents the transport behavior of many molecules...Full Text Available

Science.gov (United States)

SLPL molecule to stimulate sufficient growth to have nerve sprouts enter the electrode and establish a neural interface for prosthesis control. ...

UK PubMed Central (United Kingdom)

Summary of recent advancesA family of small molecules called ascarosides act as pheromones to control multiple behaviors in the nematode Caenorhabditis elegans....Full Text Available

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.

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption on the surface of graphitized thermal carbon black at 300 K were determined by the molecular statistical method for three phenylalklylamines. The influence of the intramolecular H-bond on the conformation of the molecules compared with structurally related n-alkyl-benzenes was considered. It was shown that the conformations of the molecules could influence chromatographic retention. Conformational isomers stabilized by intramolecular H-bonds were found to retain their structure in adsorption on graphitized thermal carbon black.

Energy Technology Data Exchange (ETDEWEB)

Scheme of theoretical method of molecular configuration definition for small organic molecules in solution has been presented. The method bases on measurements of nuclear Overhauser effects for proton-proton interactions and molecular mechanics calculations. 3 refs, 1 fig.

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption of proline and its hydroxy derivatives on the surface of graphitized thermal carbon black (GTCB) were calculated. The arrangement of hydroxyl groups in the amino acid molecule was shown to influence their adsorption on GTCB. The influence of internal rotation angles in proline and its hydroxy derivative molecules on their adsorption on GTCB was studied.

Energy Technology Data Exchange (ETDEWEB)

The method of double microwave--radio-frequency resonance has been used to obtain spectra of the 2/sub 11/reverse arrow2/sub 12/ and 3/sub 21/reverse arrow3/sub 22/ transitions in HCOOD, DCOOH, and HCOOH molecules. The constants of the quadrupole bond of the deuterons have been determined, magnetic interactions being taken into acocunt. A comparison with results of previous studies is given.

International Nuclear Information System (INIS)

This paper proposes a model to explain tritium release behavior of an irradiated Li_4SiO_4 sample made by Forschungszentrum Karlsruhe. The release curves were obtained in a series of experiments carried out using out-pile temperature programmed desorption techniques in the Kyoto University Reactor (KUR). Tritium release curves obtained for different purge gas compositions (N_2, N_2 + H_2, N_2 + H_2O) were compared for selection of suitable conditions to determine the apparent diffusivity of tritium in a crystal grain of Li_4SiO_4.In the model formation, some mass transfer steps in the bulk of the crystal grain and those on the surface of the grain were taken into account, which were diffusion of tritium in the grain, adsorption and desorption of water on the surface of the grain, two types of isotope exchange reactions, and water formation reaction by the ...

International Nuclear Information System (INIS)

Using the ammonia (NH3) plasma generated by a helical antenna surrounded by two magnetic coils, the transition of the discharge mode from low-density plasma to high-density one was observed. At the transition, the emission intensities from the H atoms and NH radicals especially increased in the optical emission spectroscopy, while the intensities of the other emission lines also increased abruptly. The nitridation of gallium arsenide (GaAs) surface was performed using the high-density NH3 plasma, and the properties of the nitrided surface layer were compared with those nitrided by high-density N2 plasma using the same apparatus. From the spectroscopic ellipsometry measurements, the thickness of the nitrided layer was estimated to be 16-18 nm, while that by N2 was 3-4 nm. From the Ga 3d spectra, the contamination with oxygen in the nitridation layer by NH3 plasma was less than that by ...

Science.gov (United States)

The thermodynamic characteristics of sorption of the isomeric tricyclo[5.2.1.02.6]decane (tetrahydrodicyclopentadiene, TDCPD) molecules were for the first time determined experimentally and by molecular statistical methods under the conditions of gas-adsorption chromatography on graphitized thermal carbon black and gas-liquid chromatography on stationary liquid phases of different polarities (Apiezon L and Carbowax 20M). The effects of the chemical nature of sorbents on the retention of the TDCPD isomers are considered. A procedure for calculating the thermodynamic characteristics of adsorption of molecules with a complex structure is suggested within the framework of the atom-atom approximation of the semiempirical molecular statistical theory of adsorption for the example of isostructural norbornane molecules. The procedure involves simultaneous variation of geometric parameters and refinement of the parameters that ...

International Nuclear Information System (INIS)

The results of experimental measurements and theoretical simulations of circular dichroism in the angular distribution (CDAD) of photoemission from atomic core levels of each of the enantiomers of a chiral molecule, alanine, adsorbed on Cu(1 1 0) are presented. Measurements in, and out of, substrate mirror planes allow one to distinguish the CDAD due to the chirality of the sample from that due to a chiral experimental geometry. For these studies of oriented chiral molecules, the CDAD is seen not only in photoemission from the molecular chiral centre, but also from other atoms which have chiral geometries as a result of the adsorption. The magnitude of the CDAD due to the sample chirality differs for different adsorption phases of alanine, and for different emission angles and energies, but is generally small compared with CDAD out of the substrate mirror planes which is largely unrelated to the molecular chirality. While similar measurements ...

International Nuclear Information System (INIS)

Quantitative structure activity relationship (QSAR) analysis of the correlations between initial brain uptake and structure parameters, for example lipophilicity F_r, molar refractivity MR and electronic parameters #sigma#_1 of the "9"9Tc"m-N_2S_2 complexes have been studied with multiple regression analysis method. The main structural factors which affect the initial brain uptake of this kind of brain imaging agents have been discussed. The results may give some theoretical information for designing new brain imaging agents

International Nuclear Information System (INIS)

We describe the analysis of forward mutations induced in the tetracycline resistance gene of the plasmid pBR322 by directing the reaction of the carcinogen N-acetoxy-N-2-acetylaminofluorene (N-AcO-AAF) to a small restriction fragment (BamHI, SalI) that is located in the proximal part of the antibiotic-resistance gene. Mutant plasmids obtained both in wild type and excision repair deficient (uvrA) bacterial cells are compared. Preliminary data showing the distribution of the -AAF adducts along this restriction fragments are discussed in relation to the observed spectrum of mutations. 20 references, 4 figures.

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The effect of a series of complexing and reducing agents on the extraction-chemical behavior of technetium as applied to extraction splitting of uranium and plutonium in the Purex process was examined. Kinetic parameters of the catalytic decomposition of N2H5NO3 under the action of Tc in the presence of these agents were evaluated. Variation of the ratio of the oxidized and reduced Tc species in the course of the process and in the hydrazine-free systems was determined. Reagents preventing oxidation of the reduced technetium and decomposition of N2H5NO3 in nitric acid solutions (acetohydroxamic acid, hydroxylamine, ascorbic acid, etc.), inhibiting the reduction of Tc with hydrazine nitrate (H2O2, HN3, etc.), and known as complexing agents toward quadrivalent actinides but indifferent to Tc...

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Amino-rich polymeric coatings are widely used in biomedical applications, since they promote adsorption of diverse biomolecules or facilitate cell growth. As a consequence, there is a growing interest in fabrication of such coatings that is focused predominantly on the optimization of the deposition process in terms of high density of primary amino groups. In addition, the nature of biomedical applications requires also sufficient stability of the films in aqueous environments. This aspect is investigated in this contribution. In particular, the effect of water and phosphate buffer saline on the coatings prepared by RF magnetron sputtering of Nylon 6,6 in Ar/N2 and N2/H2 gas mixtures is evaluated. The samples exposed to liquids are characterized by various diagnostic methods and their prop...

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In this context, the bulk ratio of CH4/N2 is examined as a potential alternative geochemical parameter for the assessment of thermal maturity of natural gas and compared to other previously published data. Open-system non-isothermal pyrolysis of low-mature coal from the Manjiaer sag, Tarim basin, yielded generation curves for methane and nitrogen. Analysis of the change of vitrinite reflectance indicates a two-stage process of thermal maturation with increasing temperatures. The relationship between Ro and pyrolysis temperature could be expressed by the following equations: Stage I: Ro = 0.0014T + 0.109, r = 0.9931(Ro Ro = 0.0067T -1.5855, r = 0.9996 (Ro > 0.6%). A kinetic interpretation of the characteristics of nitrogen and methane generation in humic coal during laboratory pyrolysis ind...

CERN Document Server

In this paper we establish a fundamental structural result for formal series encoding the total non-archimedean masses of quadratic lattices of varying determinant squareclasses, but with fixed rank $n$ and signature over any fixed number field. We conclude with some local computations for $n=2$, and use these to derive an analytic class number formula for CM extensions.

International Nuclear Information System (INIS)

The nanocrystallization process of amorphous Fe_7_3_._5Si_1_3_._5B_9Nb_3Cu_1 was investigated by active screen plasma nitriding (ASPN) treatment at temperatures ranging from 410 "oC to 560 "oC for 3 h in two gas mixtures of 75% N_2-25% H_2 and 25% N_2-75% H_2 at 5 mbar atmosphere. The amorphous ribbons were then annealed under vacuum at the same time and temperatures mentioned above. The structure of the samples was analyzed using various techniques such as X-ray diffraction (XRD), atomic force microscopy (AFM) and differential scanning calorimetry (DSC). Microhardness measurements, electrical resistivity and Vibrating Sample Magnetometer (VSM) were used to study mechanical, electrical and magnetic properties of the samples, respectively. It was observed that the ASPN treatment leads to finer grain size and higher crystalline volume fraction and modifies the structural features of Fe(Si) phase. The ...

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Biased above threshold (VT), pulsed photocurrent (u) measurements on windowed silicon Pd gate MOS capacitors are shifted (DV) negatively by H2/N2, whereas Au gates shift positively under NO2/air. Below VT, the shifts are reversed by adjustments of interface state population. Minor temperature increases may coax the device from inversion to depletion, inducing sign reversal of the chemical response.

International Nuclear Information System (INIS)

The use of environmental monitoring as a technique to identify activities related to the nuclear fuel cycle has been proposed by international safeguards organizations. The elements specific for each kind of nuclear activity, or 'nuclear signatures', inserted in the ecosystem can be intercepted by different live organisms. This work demonstrates the technical viability of using pine needles as bioindicators of nuclear signatures associated with uranium enrichment activities. Additionally, it proposes the use of HR-ICP-MS to identify the signature corresponding to that kind of activities in the ecosystem. Nitric acid solutions, used to wash pine needles sampled near nuclear facilities and containing only 0.1 #mu#g x kg"-"1 of uranium, exhibit a n("2"3"5U)/n("2"3"8U) isotopic abundance ratio of 0.0092#+-#0.0002, while solutions originated from samples collected at places located more than 200 km far from ...

International Nuclear Information System (INIS)

Thermo-reactive diffusion chromizing followed by pulsed plasma nitriding were carried out on AISI 52100 and 8620 bearing steels. The chromized samples were pulse-plasma nitrided for 5 h at 500 deg. C in various N_2-H_2 gas mixtures. The coated steels were characterized using scanning electron microscopy, X-ray diffraction and microhardness testing. The unlubricated wear behaviors of only chromized and duplex treated steels were investigated in ball-on-disc system tests at room temperature. X-ray diffraction patterns of the duplex treated samples containing H_2 indicated the formation of dominant CrN and Cr_2N nitrides as well as the formation of Cr_3C_2 and Cr_7C_3 carbides. Gas mixtures in the plasma nitriding, which was performed after chromizing, have a significant influence on the wear rate of the duplex treated steels. The wear and friction tests showed that the lowest friction coefficient and wear rates were observed for the samples ...

International Nuclear Information System (INIS)

The future use of single-molecule magnets in applications will require the ability to control and manipulate the spin state and magnetization of the magnets by external means. There are different approaches to this control, one being the modification of the magnets by adsorption of small ligand molecules. In this paper we use iron phthalocyanine supported by an Au(111) surface as a model compound and demonstrate, using x-ray photoelectron spectroscopy and density functional theory, that the spin state of the molecule can be tuned to different values (S #approx# 0, 1/2, 1) by adsorption of ammonia, pyridine, carbon monoxide or nitric oxide on the iron ion. The interaction also leads to electronic decoupling of the iron phthalocyanine from the Au(111) support. (fast track communication)

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The thermodynamic characteristics of sorption of the isomeric tricyclo[5.2.1.02.6]decane (tetrahydrodicyclopentadiene, TDCPD) molecules were for the first time determined experimentally and by molecular statistical methods under the conditions of gas-adsorption chromatography on graphitized thermal carbon black and gas-liquid chromatography on stationary liquid phases of different polarities (Apiezon L and Carbowax 20M). The effects of the chemical nature of sorbents on the retention of the TDCPD isomers are considered. A procedure for calculating the thermodynamic characteristics of adsorption of molecules with a complex structure is suggested within the framework of the atom-atom approximation of the semiempirical molecular statistical theory of adsorption for the example of isostructura...

International Nuclear Information System (INIS)

The small-angle X-ray scattering technique was used to determine the intermolecular structure and interaction potentials in oxi-and deoxi-hemoglobin solutions. The pair correlation function obtained by the ZERNICKE-PRINS equation characterizes the intermolecular structure of the hemoglobin molecules. The intermolecular structure is concentration dependent. The hemoglobin molecules have a 'short range order structure' with a range of about 4 molecule diameters at 324 g/l. The potential functions of the hemoglobin-hemoglobin interaction have been determined on the basis of fluid theories. Except for the deoxi-hemoglobin solution having the concentration 370 g/l, the pair interaction consists in a short repulsion and a weak short-range attraction against kT. The potential minimum is between 1.2 - 1.5 nm above the greatest hemoglobin diameter. (author).

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The cephalosporin class antibacterial agent, cefazolin, was intercalated into layered double hydroxides (LDHs) in order to improve the drug efficiency as well as to achieve the controlled release property. Cefazolin molecules were incorporated into LDH through conventional ion exchange reaction. X-ray diffraction pattern analyses confirmed that cefazolin molecules were intercalated between the interlayer spaces of LDH. Fourier-transform infrared spectra and high performance liquid chromatographs clearly showed that the drug molecules were stabilized in LDH lattice through electrostatic interaction and released without any changes in their chemical integrity. Antibacterial activity of the cefazolin-LDH nanohybrid was also examined by an in vitro test, such as the minimal inhibitory concentr...

International Nuclear Information System (INIS)

Pulse radiolysis studies of the formation kinetics and the yields of various phenylcarbenium ions from several different solutes in 1,2-dichloroethane solution have been carried out. The results indicate that there are two kinetically distinguishable cationic species of the solvent which react selectively with the different solutes to form the phenylcarbenium ions. It is suggested that one is a cation radical (yield 0.68 molecule/100 eV) and the other a carbocation (yield 0.20 molecule/100 eV). Rate constants for their separate reactions with selected aromatic compounds and with ammonia have been determined. Molar extinction coefficients have been estimated for benzyl cation, diphenyl cation radical, and anthracene cation radical. 6 figures, 1 table.

International Nuclear Information System (INIS)

The magnetic hyperfine constants of the V sub(K) center in CaF_2, SrF_2 and BaF_2 have been calculated, assuming a phenomenological model, based on the F"-_2 'central molecule', to describe the wave function of the defect. The introduction of covalence with the ions neighboring the 'central molecule', has shown that this is a better description for the defect than a simple 'central molecule' model. It was also shown that the results for the hyperfine constants are strongly dependent on the relaxations of these neighboring ions, which have been determined by fitting the experimental data. The present results are compared with other previous calculations where similar and different methods have been used. A better description for the wave function of the defect is suggested. (author).

UK PubMed Central (United Kingdom)

Spin-lattice relaxation rates of protein and water protons in dry and hydrated immobilized bovine serum albumin were measured in the range of ¹H Larmor frequency from 10 kHz to 30...Full Text Available

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We describe a novel ¹³C enriched precursor molecule, sodium 1-¹³C acetylenedicarboxylate, which after hydrogenation by PASADE-NA (Parahydrogen and Synthesis Allows Dramatically...Full Text Available

UK PubMed Central (United Kingdom)

The effect of Escherichia coli lipopolysaccharide (LPS) on the expression of major histocompatibility complex (MHC) class II molecules by bovine mammary macrophages was examined. The ability of LPS-treated...Full Text Available

Science.gov (United States)

Trace gas molecules absorb specific wavelengths of incoming solar ... These data(with information collected from similar experiments carried on balloons, rockets, ... The ATMOS sensor instrumentis a state-of-the-art version of a 19th century ...

UK PubMed Central (United Kingdom)

Interactions between presynaptic and postsynaptic cellular adhesion molecules (CAMs) drive synapse maturation during development. These trans-synaptic interactions are regulated by alternative splicing...Full Text Available

UK PubMed Central (United Kingdom)

SUMMARYThe cytolytic activity of natural killer (NK) cells is regulated by inhibitory receptors that detect the absence of self molecules on target cells. Structural studies of...Full Text Available

UK PubMed Central (United Kingdom)

On rod disc membranes, single photoactivated rhodopsin (R*) molecules catalytically activate many copies of the G-protein (Gt), which in turn binds and activates the effector (phosphodiesterase). We...Full Text Available

UK PubMed Central (United Kingdom)

The neonatal Fc receptor FcRn provides IgG molecules with their characteristically long half-lives in vivo by protecting them from intracellular catabolism and then returning them to...Full Text Available

UK PubMed Central (United Kingdom)

Nucleic acids are molecules of choice for both established and emerging nanoscale technologies. These technologies benefit from large functional densities of ‘DNA processing elements’...Full Text Available

UK PubMed Central (United Kingdom)

Phenazines are redox-active small molecules that play significant roles in the interactions between pseudomonads and diverse eukaryotes, including fungi. When Pseudomonas aeruginosa...Full Text Available

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The analysis of individual molecules is evolving into an important tool for biological research, and presents conceptually new ways of approaching experimental design strategies. However, more...Full Text Available

UK PubMed Central (United Kingdom)

Borrelia burgdorferi produces potent cell-activating molecules capable of stimulating polyclonal proliferation and immunoglobulin production by murine B lymphocytes and cytokine production by a variety...Full Text Available

UK PubMed Central (United Kingdom)

Various hypotheses have been proposed to explain the molecule processes of sarcomere assembly, partially due to the lack of systematic genetic studies of sarcomeric genes in an in vivo...Full Text Available

UK PubMed Central (United Kingdom)

The X-ray crystallographic structural determinations of synthetic estrogens and antiestrogens provide reliable information on the global minimum energy conformation of these molecules or a local minimum...Full Text Available

UK PubMed Central (United Kingdom)

To assemble into functional structures, biopolymers search for global minima through their folding potential energy surfaces to find the native conformation. However, this process can be hindered by...Full Text Available

UK PubMed Central (United Kingdom)

The phenomenon of antibiotic resistance has created a need for the development of novel antibiotic classes with non-classical cellular targets. Unfortunately, target-based drug discovery against...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

In this paper we study different effects of excited molecules on swarm parameters, electron energy distribution functions and gas discharge modeling. First we discuss a possible experiment in parahydrogen to resolve the discrepancy in hydrogen vibrational excitation cross section data. Negative differential conductivity (NDC) is a kinetic phenomenon which manifests itself in a particular dependence of the drift velocity on E=N and it is affected by superelastic collisions with excited states. A complete kinetic scheme for argon required to model excited state densities in gas discharges is also described. These results are used to explain experiments in capacitively and inductively coupled RF plasmas used for processing. The paper illustrates the application of atomic and molecular collision data, swarm data and the theoretical techniques in modeling of gas discharges with large abundances of excited molecules. It is pointed out that swarm ...

UK PubMed Central (United Kingdom)

The human immunodeficiency virus type 1 (HIV-1) packages its genomic RNA as a dimer of homologous RNA molecules that has to be selected among a multitude of cellular and viral RNAs. Interestingly, spliced...Full Text Available

UK PubMed Central (United Kingdom)

To analyse the binding of sugar chains to proteins, viruses and cells, the surface plasmon resonance (SPR) technique is very convenient and effective because it is a real-time, non-destructive detection...Full Text Available

International Nuclear Information System (INIS)

The linearized-augmented-plane-wave (LAPW) method for thin films is generalized by removing the remaining shape approximation to the potential inside the atomic spheres. A new technique for solving Poisson's equation for a general charge density and potential is described and implemented in the film LAPW method. In the resulting full-potential LAPW method (FLAPW), all contributions to the potential are completely taken into account in the Hamiltonian matrix elements. The accuracy of the method: already well known for clean metal surfaces: is demonstrated for the case of a nearly free (noninteracting) O_2 molecule which is a severe test case of the method because of its large anisotropic charge distribution. Detailed comparisons show that the accuracy of the FLAPW results for O_2 exceeds that of existing state-of-the-art local-density linear-combination-of-atomic-orbitals (LCAO)-type calculations, and that taking the full potential LAPW results as a reference, the ...

UK PubMed Central (United Kingdom)

Background: CD1d belongs to a family of antigen presenting molecules that are structurally and distantly related to the classic major histocompatibility complex class I (MHC I)...Full Text Available

UK PubMed Central (United Kingdom)

The cyclohexane-1,2-diamine-based bisbinaphthyl macrocycles (S)-/(R)-5 and their cyclic and acyclic analogs are synthesized. The interactions of...Full Text Available

UK PubMed Central (United Kingdom)

Myocarditis, often initiated by viral infection, may progress to autoimmune inflammatory heart disease, dilated cardiomyopathy and heart failure. Although cardiac myosin is a dominant autoantigen...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundCardiovascular disease (CVD) is a leading cause of mortality in the United States as well as globally. Epidemiological studies show that regular fruit and vegetable consumption...Full Text Available

UK PubMed Central (United Kingdom)

CSV consists of a very complex of molecules and demonstrates significant cellular activities capable of stimulating immune functions in vivo. The purpose of this study was to analyze the effects of...Full Text Available

UK PubMed Central (United Kingdom)

Antisense radiopharmaceuticals could be used to image gene expression in the brain in vivo, should these polar molecules be made transportable through the blood–brain barrier....Full Text Available

UK PubMed Central (United Kingdom)

In the cellular immune response, recognition by CTL-TCRs of viral antigens presented as peptides by HLA class I molecules, triggers destruction of the virally infected cell (Townsend, A.R.M., J. Rothbard,...Full Text Available

UK PubMed Central (United Kingdom)

Biological membranes are lamellar structures composed of two leaflets capable of supporting different mechanical stresses. Stress differences between leaflets were generated during micromechanical experiments...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Optical frequency comb technology has been used in this work for the first time to investigate the nuclear structure of light radioactive isotopes. Therefore, three laser systems were stabilized with different techniques to accurately known optical frequencies and used in two specialized experiments. Absolute transition frequency measurements of lithium and beryllium isotopes were performed with accuracy on the order of 10{sup -10}. Such a high accuracy is required for the light elements since the nuclear volume effect has only a 10{sup -9} contribution to the total transition frequency. For beryllium, the isotope shift was determined with an accuracy that is sufficient to extract information about the proton distribution inside the nucleus. A Doppler-free two-photon spectroscopy on the stable lithium isotopes {sup 6,7}Li was performed in order to determine the absolute frequency of the 2S {yields} 3S transition. The achieved relative accuracy of 2 x 10{sup -10} is improved by one ...

Energy Technology Data Exchange (ETDEWEB)

Two new surfactant molecules are reported which contain thermally labile Diels-Alder adducts connecting the polar and non-polar sections of each molecule. The two surfactants possess identical non-polar dodecyl tail segments but exhibit different polar headgroups. The surfactants become soluble in water when anionic salts are formed through the deprotonation of the surfactant headgroups by the addition of potassium hydroxide. When either surfactant is exposed to temperature above about 60.degree. C., the retro Diels-Alder reaction occurs, yielding hydrophilic and hydrophobic fragments or the aqueous solutions of the surfactants subsequently exhibit loss of all surface-active behavior.

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A new coumarin-based sensor molecule (L1) has been synthesized and this was found to bind calcium and magnesium ions more effectively as compared to other alkali/alkaline earth/lanthanide and certain transition metal ions. A significant enhancement in fluorescence intensity was observed on binding to Ca2+ and Mg2+ ions; while a minor quenching was observed for weakly bound Hg2+, Ni2+, Fe3+, and Co2+ ions. PET process, coupled with the ICT process, is proposed to explain the observed spectral response.

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Abstract Ionizing radiation is a ubiquitous feature of the Cosmos, from exogenous cosmic rays (CR) to the intrinsic mineral radioactivity of a habitable world, and its influences on the emergence and persistence of life are wide-ranging and profound. Much attention has already been focused on the deleterious effects of ionizing radiation on organisms and the complex molecules of life, but ionizing radiation also performs many crucial functions in the generation of habitable planetary environments and the origins of life. This review surveys the role of CR and mineral radioactivity in star formation, generation of biogenic elements, and the synthesis of organic molecules and driving of prebiotic chemistry. Another major theme is the multiple layers of shielding of planetary surfaces from th...

Science.gov (United States)

The electronic transitions and photodissociation of the bromine molecule were studied in the visible-near UV continuum using dynamic simulation. The molar extinction coefficients in this study were obtained in numerical calculations. The quantum yields of the spin-orbit Br*(2 P 1/2) product at different photon frequencies were determined. Time-dependent density functional theory was used to analyze the highest five occupied and lowest five unoccupied Br2 orbitals. The transition to the 1? u state was found to be most probable in the visible-near UV absorption range.

Science.gov (United States)

The total area ( s m) of Voronoi-Dirichlet polyhedron faces corresponding to all intermolecular contacts of one molecule in the structure of crystals and the total volume of pyramids ( V m) built on such faces and containing the nuclei of atoms participating in intermolecular contacts in their vertices were determined for 19 unsaturated hydrocarbons. The differential molar heat of adsorption of the hydrocarbons on graphitized thermal carbon black was found to be linearly related to the s m or V m integral parameters of their Voronoi-Dirichlet polyhedra. Aromatic hydrocarbons on the one hand and saturated hydrocarbons, olefins, and acetylene on the other are characterized by different dependences because of the special shapes of their molecular Voronoi-Dirichlet polyhedra.

Science.gov (United States)

Lanthanide-ion doped oxide nanoparticles were functionalized for use as fluorescent biological labels. These nanoparticles are synthesized directly in water which facilitates their functionalization, and are very photostable without emission intermittency. Nanoparticles functionalized with guanidinium groups act as artificial toxins and specifically target sodium channels. They are individually detectable in cardiac myocytes, revealing a heterogeneous distribution of sodium channels. Functionalized oxide nanoparticles appear as a novel tool particularly well adapted to long-term single-molecule tracking.

International Nuclear Information System (INIS)

The applicability of auxiliary functions Qqns and Gq-ns in combined Hartree-Fock-Roothaan theory suggested by one of the authors is demonstrated by calculation of electronic structure of some molecules. As an example of application, the calculations have been performed for the ground states of BH, Bh2, BH3, CH, CH2 and CH3 using minimal basis sets of Slater type orbitals. The results of computer calculations for the orbital and total energies, linear combination coefficients of symmetrized and un symmetrized molecular orbitals, and virial ratios are presented.

International Nuclear Information System (INIS)

Benzene molecules , present in the proto-planetary nebula CRL 618, are ionized and dissociated by ultraviolet (UV) and X-ray photons originated from the hot central star and by its fast wind. Ionic species and free radicals produced by these processes can lead to the formation of new organic molecules. The aim of this work is to study the photoionization and photodissociation processes of the benzene molecule, using synchrotron radiation and time-of-flight mass spectrometry. Mass spectra were recorded at different energies corresponding to the vacuum UV (21.21 eV) and soft X-ray (282-310 eV) spectral regions. The production of ions from the benzene dissociative photoionization is here quantified, indicating that C_6H_6 is more efficiently fragmented by soft X-ray than UV radiation, where 50% of the ionized benzene molecules survive to UV dissociation while only about 4% resist to C-rays. Partial ion ...

Science.gov (United States)

New tetradentate N(2)O(2) donor Schiff bases and their mononuclear Co(II), Ni(II), Cu(II), and Pd(II) complexes were synthesized and characterized extensively by IR, (1)H-, (13)C-NMR, mass, ESR, conductivity measurements, elemental and thermal analysis. Specifically the magnetic and electronic spectral measurements demonstrate the octahedral structures of cobalt(II), nickel(II) complexes and square planar geometries of copper(II), palladium(II) complexes. All the ligands and complexes were screened for their in vitro antibacterial activity against two gram-positive bacteria (Bacillus subtilis, Staphylococcus aureus) and two gram-negative bacteria (Escherichia coli, Klebsiella pneumonia). In this study, Pd(II) complexes exhibited potent antibacterial activity against B. subtilis, S. aureus whereas other metal complexes also exerted good activity towards all tested strains even than standard drugs streptomycin and ampicillin. PMID:21297294

Energy Technology Data Exchange (ETDEWEB)

The synthesis of (3-{sup 15}N)-labeled adenine has been reported by several groups. Each of these syntheses followed essentially the same route, in which the {sup 15}N is introduced by nitration of 4-bromoimidazole under forcing conditions using ({sup 15}N)-HNO{sub 3}. The authors have devised an alternate route which uses an azo coupling reaction for introduction of the {sup 15}N and proceeds through the intermediacy of (5-{sup 15}N)-labeled 5-aminoimidazole-4-carboxamide (AICA). An unrelated route to the (5-{sup 15}N)-labeled 5-amino-imidazole ribonucleoside (AIRs) was recently reported. AICA is a versatile precursor, which is most commonly used for entry into the guanine or isoguanine families, although it is usually used as the AICA-riboside rather than the heterocycle itself. The authors have found that AICA also can be used for the adenine family by cyclization to hypoxanthine using diethoxymethyl acetate in DMF at reflux. Although these conditions are more vigorous than those ...

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The aim of this pilot study was to evaluate the feasibility of long-term subcutaneous application of low-dose IL-2 in children with malignancies at very high risk of relapse who underwent highly T cell and B cell depleted HLA-identical (MUD) or full haplotype mismatched related hematopoetic stem cell transplantation. We studied 11 patients with acute leukemias/myelodysplastic syndrome and juvenile myelomonocytic leukemia (active disease and/or second stem cell transplantation, n = 8; >=CR 2, n = 2) and relapsed or progressive Ewings sarcoma (n = 2) who received prophylactic IL-2 treatment for a high probability of disease recurrence after allo-HSCT. Toxicities from IL-2 were transient fever, fatigue and local inflammation. In one patient GvHD grade III with no clear association to IL-2 adm...

International Nuclear Information System (INIS)

In this experiment, a Si wafer containing four lightly doped B marker layers epitaxially grown by CVD has been implanted with 100 keV Si"+ ions to a dose of 2 x 10"1"4 ions/cm"2 and annealed at 850 deg. C for several times in an RTA system in flowing N_2. TEM and SIMS analysis, in conjunction with a transient enhanced diffusion (TED) evaluation method based on the kick-out diffusion mechanism, have allowed us to accurately study the boron TED evolution in presence of extended defects. We show that the silicon surface plays a key role in the recombination of Si interstitial atoms by providing the first experimental evidence of the resulting Si_i_n_ts supersaturation gradient between the defect region and the surface. Our results indicate an upper limit of about 200 nm for the surface recombination length of Si interstitials at 850 deg. C in a N_2 ambient.

Science.gov (United States)

t5I gU9S y`xmRv A'b9 (RW$ F]>H ?ts6@ Snnl yHl$- #|t_C 6G8@ u,H8 3($ds #~^iy { aN2s VFR@1 zs|9n] %pyNv Z{+; !C 1cs= ||8_ 6r$0j n9X 8n`@ ,FH8S hg3` TBq*p UP09 ...

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Purpose: To evaluate the success rates of the implantation of stent grafts in the treatment of peripheral aneurysms. Materials and methods: in 13 patients with 15 aneurysms at the common iliac artery (n = 6), external iliac artery (n = 1), hypogastric artery (n = 2), femoral artery (n = 2) or popliteal artery (n = 4), implantation of dacron-covered nitinol stents was performed. The patients were followed up for three to 20 months (mean, 8.8 months) with intravenous digital subtraction angiography, CT or colour-coded Doppler sonography. Results: In all cases, the aneurysm was successfully occluded after stent implantation. In one case with a popliteal aneurysm, kinking of the vessel caused thrombosis of the stent. The stent was successfully reopened. The aneurysm however, had to be surgically treated 9 months later. The primary and secondary patency rates at 6 months were 93% and 100%, respectively. ...

International Nuclear Information System (INIS)

Recent work on N=2 supersymmetric Bianchi type IX cosmologies coupled to a scalar field is extended to a general treatment of homogeneous quantum cosmologies with explicitly solvable momentum constraints, i.e., Bianchi types I, II, VII, VIII in addition to the Bianchi type IX, and special cases, namely, the Freidmann universes, the Kantowski-Sachs space, and Taub-NUT space. In addition to the earlier explicit solution of the Wheeler-DeWitt equation for Bianchi type IX, describing a virtual wormhole fluctuation, an additional explicit solution is given and identified with the ''no-boundary state.''.

International Nuclear Information System (INIS)

Mass distributions of fragments in the low-energy fission of nuclei from "1"8"7Ir to "2"1"3At have been analysed. This analysis has shown that shell effects in symmetric-mode fragment mass yields from the fission of pre-actinide nuclei could be described if one assumes the existence of two strongly deformed neutron shells in the arising fragments with neutron numbers N_1#approx#52 and N_2#approx#68. A new method has been proposed for quantitatively describing the mass distributions of the symmetric fission mode for pre-actinides with A#approx#180-220. (orig.)

Energy Technology Data Exchange (ETDEWEB)

The present invention provides a compound of the formula (Cat).sup.+.sub.z[M.sup.++(5-nitro-1H-tetrazolato-N2).sup.-.sub.x(H.sub.2- O).sub.y] where x is 3 or 4, y is 2 or 3, x+y is 6, z is 1 or 2, and M.sup.++ is selected from the group consisting of iron, cobalt, nickel, copper, zinc, chromium, and manganese, and (Cat).sup.+ is selected from the group consisting of ammonium, sodium, potassium, rubidium and cesium. A method of preparing the compound of that formula is also disclosed.

CERN Document Server

A fundamental and very well studied region of the Erd\\"os-R\\'enyi process is the phase transition at n/2 edges in which a giant component suddenly appears. We examine the process beginning with an initial graph. We further examine the Bohman-Frieze process in which edges between isolated vertices are more likely. While the positions of the phase transitions vary, the three processes belong, roughly speaking, to the same universality class. In particular, the growth of the giant component in the barely supercritical region is linear in all cases.

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.

International Nuclear Information System (INIS)

This report describes recent extensions to the energy-systems GMM (Global Multiregional MARKAL) model undertaken by the Energy Economics Group (EEG) of the Paul Scherrer Institute (PSI) in Switzerland (hereon referred to as PSI-EEG) in the context of the SAPIENTIA project sponsored by the European Commission (DG Research) and the Swiss National Centre for Competence in Research on Climate (NCCR-Climate). GMM is a multi-regional 'bottom-up' energy-systems optimization model that endogenizes technology learning. The model has been developed and is used at PSI-EEG. The main extensions undertaken here concern the incorporation of a clusters approach to technology learning, the introduction of an improved representation of the transportation sector with emphasis on the passenger sub-sector and the implementation of marginal abatement curves for CH4 and N2O, two main non-CO2 greenhouse gases. Also, a linear representation of the atmospheric ...

Science.gov (United States)

One-electron reduction of the square-planar nickel precursor (PNP)NiCl ( 1) (PNP (-) = N[2-P(CHMe 2) 2-4-methylphenyl] 2) with KC 8 effects ligand reorganization of the pincer ligand to assemble a Ni(I) dimer, [Ni(mu 2-PNP)] 2 ( 2), containing a Ni 2N 2 core structure, as inferred by its solid-state X-ray structure. Solution magnetization measurements are consistent with a paramagnetic Ni(I) system likely undergoing a monomer dimer equilibrium. The room-temperature and 4 K solid-state X-band electron paramagnetic resonance (EPR) spectra display anisotropic signals. Low-temperature solid-state X-band EPR data at 4 K reveal rhombic values g z = 1.980(4), g x = 2. 380(4), and g y = 2.225(4), as well as a forbidden signal at g = 4.24 for the Delta M S = 2 half field transition, in accord with 2 having two weakly interacting metal centers. Utilizing an S = 1 model, full spin Hamiltonian simulation of the ...

International Nuclear Information System (INIS)

The magnetic moments of "1"7"7Ta and sup(181,182,187)Re levels decaying via the K-forbidden transitions are measured. The nuclei studied are produced via the "1"7"7W and sup(181,182)Os and "1"8"7W #beta#-decay respectively. The magnetic moments have been measured using the method of the differential #gamma##gamma# angular correlations, perturbed by an external magnetic field. The following magnetic moments and lifetimes are obtained: for the 5/2"-1/2"-[541] "1"8"1Re level with excitation energy of 357 keV #mu#/#mu#sub(n)=2.00+-0.10, Tsub(1/2)=(76+-8)x10sup(-8) s; for the 186.4 keV 5/2"-1/2"-[541] "1"7"7Ta level #mu#/#mu#sub(n)=2.02+-0.13, Tsub(1/2)=(2.78+-0.09)x10sup(-6) s; for the 236 keV 2"- "1"8"2Re level #mu#/#mu#sub(n)=2.12+-0.08; for the 203 keV 9/2"- [514] "1"8"7Re level #mu#/#mu#sub(n)=5.04+-0.09.

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Surface films on iron formed in methanol solutions containing various amounts of water with or without 0.1 kmol/m{sup 3} LiClO4 have been analyzed by in-situ ellipsometry and ex-situ XPS. It was found that surface films having refractive indices n2 and absorption coefficients k2 in the range of 1.8-2.2 and 0.25-0.3, respectively, are formed on iron at potentials of the passive state. The values of n2 and k2 for passive films on iron obtained in the methanol are smaller than those of passive films formed in aqueous solutions. The refractive index n2 of the surface film on iron in the methanol became larger with increasing water or dissolved oxygen content. In the deaerated methanol with the water content less than 0.07%, a surface film having a refractive index of 1.7 was formed on iron, and XPS spectrum of this film showed a spectrum which was similar to that ...

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Measurements of the relaxation of the D{sub 2}O stretch mode in vitreous As{sub 2}S{sub 3} are presented. Because the bending mode of the molecule offers an intra-molecular decay channel for the stretch mode, the decay scheme of the D{sub 2}O molecule is more complex than that of diatomic molecules. The asymmetric stretch mode of D{sub 2}O has a frequency of 2680 cm{sup -1}. To study the relaxation of this mode we applied a pump-probe technique, using intense psec; pulses of the Stanford Free Electron Laser. Due to the small cross-section of the vibrational mode, successful efforts were made to improve the signal to noise ratio by using a laser stabilization system and a tightly focused beam to increase the intensity, by averaging the signal with a kHz repetition rate and by using samples with an optimized D{sub 2}O concentration. A rapid relaxation rate on the order of 5 x 10{sup 9} sec{sup -1} at low temperature is found ...

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The process operation of the hot wall vapor deposition method, formation of dry organic thin film and the control of molecular arrangement were described. This equipment included a substrate on the upper end of the hot wall tube and the vapor source at the lower end. The remarkable features are the hot wall tube which plays the role to hold vaporizing molecules to the high temperature and to transport molecules, and the flip flop mechanism which gives some idle period for the molecular vaporization by shutter closing. Several experiments were carried out by using stearic acid and by changing the distance S from the upper end of hot wall quartz tube to the substrate, the furnace temperature T{sub f} and the substrate temperature T{sub s}. When T{sub f} is equal to or less than the melting point of stearic acid, molectles are preferentialy made to vertical arrangement. In the case of T{sub f} more than the melting point, the molecular rate of the ...

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Decay processes of H{sub 2}{sup -} anions in {gamma}-rays-irradiated solid parahydrogen were studied by using ESR spectrometer. The following interesting results were obtained. First, the initial amount of ortho-H{sub 2}{sup -} anions in the {gamma}-irradiated solid parahydrogen was three times as large as those of para-H{sub 2}{sup -} anions. Second, the amount of para-H{sub 2}{sup -} anions decreases faster than that of ortho-H{sub 2}{sup -} anions upon storage of the irradiated samples at 4.2 K. Third, the decay rate of H{sub 2}{sup -} anions is accelerated by the addition of D{sub 2} molecules. Forth, H{sub 2}{sup -} anions at 2.2 K decay faster than at 4.2 K. According to the parity conservation rule in a homonuclear diatomic molecule, the energy of ortho-H{sub 2}{sup -} anions at the ground state is lower than that of para-H{sub 2}{sup -} anions, whereas that of ortho-H{sub 2} molecules is higher than that of ...

International Nuclear Information System (INIS)

An outline is given of time-dependent wavepacket methods as applied to calculations of molecular collisions with solid surfaces. The methods reviewed include numerical integration algorithms for the time-dependent Schroedinger equation, semiclassical wavepacket treatments, and approximations that treat some of the degrees-of-freedom quantum-mechanically and others classically. The computational and numerical characteristics of these methods are discussed, with emphasis on their particular advantages and relevance in the context of certain molecule/surface scattering problems. For the semiclassical and mixed quantal-classical treatments, the approximation errors and their physical origins are discussed. For the quantum wavepacket techniques a numerical error analysis is presented. The computational efficiency of the various algorithms is considered and examined in the context of several applications. The main focus is on diffractive scattering of atoms and light ...

International Nuclear Information System (INIS)

The high-energy radiation-induced degradation of an H-acid derivative azo dye, Apollofix-Red SF-28 (AR-28) was studied in aqueous solution by using pulse radiolysis with kinetic spectroscopic detection for transient measurements. Gamma radiolysis with UV-VIS spectroscopy and gradient ionpair HPLC separation with diode array detection were applied for following the destruction of AR-28 and measuring the products. The reactions of hydrated electron (e_a_q "-) and hydroxyl ("#centre dot#OH) radical were investigated separately. "#centre dot#OH reacts with the unsaturated bonds of the molecule. In the further reactions of the "#centre dot#OH adduct radicals, the AR-28 molecules partly reform with a slightly modified structure. The products formed in the first reaction of "#centre dot#OH and AR-28 molecules have also high reactivity towards the "#centre dot#OH radicals. For these reasons the efficiency of "#centre dot#OH ...

Energy Technology Data Exchange (ETDEWEB)

The high resolution spectrum of the parahydrogen Q{sub 3}(0) transition at 11758 cm{sup -1} has allowed specific quantum state assignment of the ten lines which compose this transition. The transition cannot occur unless a dipole moment is induced in the parahydrogen by an external field. The quadrupole field of an impurity o-H{sub 2} molecule provides this field, and the transition occurs in the orientationally dependent field of the orthohydrogen molecule. Transitions induced by the quadrupolar field of the J=1 H{sub 2} in the nearest neighbor as well as in the next nearest neighbor shells have been observed. By lowering the impurity orthohydrogen concentration, the authors have observed lines with linewidths of approximately 15 MHz hwhm with a Ti:Sapphire laser having a sensitivity of 3x10{sup -5} ({Delta}I/I) using the toneburst method. Additionally, the second vibrational overtone of the impurity orthohydrogen molecule ...

Science.gov (United States)

Enthalpy relaxation properties of the ethylene glycol (EG) aqueous solutions confined within silica-gel void spaces of 1.1 nm in the average void thickness and 6, 12 and 52 nm in their average diameters were examined by an adiabatic calorimetry to understand the glass transition behavior of the solutions and the rearrangement processes of the molecules. The glass transition temperature Tg of EG was found to decrease with adding the water molecules which are mobile under the condition lacking in the full hydrogen-bond network. Meanwhile, the Tg in the water-rich region showed a rise towards pure water; after a phase separation in a 25 mol% (x = 0.25) EG solution, the Tg was 160 K which was higher than that derived by extrapolating the composition dependence to pure water. The Tg = 160 K is the same as observed in the pure water confined within 1.1 nm voids; this indicates the validity of the interpretation that the glass transition at 160 K of ...

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The objective of our research was to obtain fundamental information regarding the functional dependence of the diffusion coefficient of coal molecules on the ratio of molecule to pore diameter. That is, the objective of our study was to examine the effect of molecule size and configuration on hindered diffusion of coal macromolecules through as porous medium. To best accomplish this task, we circumvented the complexities of an actual porous catalyst by using a well defined porous matrix with uniform capillaric pores, i.e., a track-etched membrane. In this way, useful information was obtained regarding the relationship of molecular size and configuration on the diffusion rate of coal derived macromolecules through a pore structure with known geometry. Similar studies were performed using a pellet formed of porous alumina, to provide a link between the idealized membranes and the actual complex pore structure of real catalyst ...

Science.gov (United States)

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 some deuterium ...

International Nuclear Information System (INIS)

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 some deuterium ...

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Total (elastic+inelastic) cross sections for electron impact on FeO, Fe{sub 2}O{sub 3} and Fe{sub 3}O{sub 4} have been calculated in the energy range 20-5000 eV by employing the additivity rule which expresses the total cross section of a molecule as an incoherent sum over the total cross sections of the constituent atoms of the molecule. The electron-atom cross sections have been obtained by a complex optical potential method through partial-wave analysis. The total cross sections for all the oxides of iron exhibit a maximum around 30 eV. The inelastic cross sections are upper bounds to the corresponding ionisation cross sections. Bethe parameters for inelastic cross sections are given. ((orig.))

International Nuclear Information System (INIS)

The extraction-spectrophotometric method has been used to study lanthanoid ion complexing (Pr, Nd, Ho and Er) with antipyrine (Ant) and salicylic acid (Sal). The component relationship in different-ligand compounds Ln:Aut:Sal=2:3:6 and solvate number equal to 5 are determined; molar extinction coefficients of binary and different-ligand compounds are calculated. Oscillator strengths of absorption bands corresponding to supersensitive transitions of neodymium, holmium, erbium and some most intensive praseodymium bands are calculated. The study of IR spectra of investigated compounds allows to conclude on formation of coordination bonds of the central atom with the antipyrine molecule through the oxygen of the carbonyl group as well as on carboxyl group hydrogen substitution for metal and formation of coordination bond with OH group in salicylic acid molecules.

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)

Phospholipase D (PLD) has been recognized as a regulator of cell proliferation and tumorigenesis, but little is known about the molecules regulating PLD expression. Thus, the identification of small molecules inhibiting PLD expression would be an important advance in PLD-mediated physiology. Quercetin, a ubiquitous bioactive flavonoid, is known to inhibit proliferation and induce apoptosis in a variety of cancer cells. In the present study, we examined the effect of quercetin on the expression of PLD in U87 glioma cells. Quercetin significantly suppressed the expression of PLD1 at the transcriptional level. Moreover, quercetin abolished the protein expression of PLD1 in a time and dose-dependent manner, as well as inhibited PLD activity. Quercetin suppressed NFkB-induced PLD1 expression vi...

British Library Electronic Table of Contents (United Kingdom)

Recently, we cloned purpurin cDNA as an upregulated gene in the axotomized fish retina. The retina-specific protein was secreted from photoreceptors to ganglion cell layer during an early stage of optic nerve regeneration in zebrafish retina. The purpurin worked as a trigger molecule for axonal regrowth in adult injured fish retina. During zebrafish development, purpurin mRNA first appeared in ventral retina at 2 days post-fertilization (dpf) and spread out to the outer nuclear layer at 3 dpf. Here, we investigated the role of purpurin for zebrafish retinal development using morpholino gene knockdown technique. Injection of purpurin morpholino into the 1-2 cell stage of embryos significantly inhibited the transcriptional and translational expression of purpurin at 3 dpf. In the purpurin mo...

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption (TCA) on the basal face of graphite have been calculated in terms of the semiempirical molecular statistical theory of adsorption for molecules of O-, S-, and Se-containing heteroadamantanes of different structure and isostructural cyclohexane derivatives. The influence of the nature, number, and position of heteroatoms in the adamantane framework on the TCA values was studied in detail, which made it possible to predict the retention of the compounds considered on the surface of graphitized thermal carbon black under the conditions of equilibrium gas adsorption chromatography. The introduction of each subsequent heteroatom into a polyheteroadamantane molecule makes a non-additive contribution to the TCA values. The contributions of various f...

CERN Document Server

An effect of laser-cooling of water was observed for the first time with a temperature decrease dT = -2.2 K after irradiation of liquid water surface by a powerful Ar-Xe pulse laser with a pulse energy of about 1 J and wavelength L = 1.73, 2.63 and 2.65 um. The discovered effect can apparently be ascribed to the optical excitation of vibrational states of H2O molecules followed by an endothermic consolidation of chemically active excited molecules into a quasi-stable cluster-like structure. The measured time dependences of the cooling effect show that a typical life time of the new state of water amounts to hours. It has also been shown that the life time of the excited vibrational molecular states due to a radiation trapping effect can be estimated to at least hundreds of seconds.

Energy Technology Data Exchange (ETDEWEB)

Investigates polarographically determined capacitative curves of Soviet anthracite (Removsk seam) in solutions of KCl, HCl, phenol, propyl, butyl, amyl and hexyl alcohols. The curves were found to be asymmetric and to raise quickly in their cathode range. Their dependence on electrolyte concentration and displacements of their zero charge points were observed. Displacement values of zero charge potential were tabulated for organic compounds. It was possible to calculate displacements taking the non-uniformity of coal structure into account. It was further possible to assess surface interactions between coal and adsorbed molecules from the viewpoint of molecular energy. Orientation of phenol and alcohol molecules on the coal surface is also pointed out. 10 refs.

International Nuclear Information System (INIS)

Extraction of hafnium by 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone (HL) in benzene, toluene, chloroform and tetrachloromethane from aqueous-alcoholic solutions of the formal acidity of 2M-HClO_4 was studied. Methyl, ethyl, n- and isopropyl, tert-butyl and allyl alcohol as well as ethylene glycol monomethyl ether and propylene glycol were used as organic components of the mixed aqueous-organic phase. Their presence in some cases resulted in a synergic increase in the distribution ratio of hafnium. The increase is interpreted using the results of a slope analysis and measurements of the alcohol distribution and the relative permittivity of the organic phase. It is suggested that HfL_4 molecules were solvated by alcohol molecules in the organic phase. At high alcohol concentration synergism changed into antagonism. This was caused by changes in the distribution of HL and its interaction with the alcohol in the organic phase. (author).

International Nuclear Information System (INIS)

In a sufficiently large cluster of several polar molecules, collective interactions lead to localization or 'solvation' of electrons. The existence of the solvated electron is known since 1863 in liquid ammonia and since 1962 for liquid water. In 1984, electron localization in clusters was experimentally demonstrated in (H_2O)_N_#>=#_1_1 and (NH_3)_N_#>=#_3_4 clusters. In cooperation with K. Bowen, we recently initiated a test of the theory of electron binding by a dipole and a new ground state dipole bound dimer anion, (H_2O..NH_3), was predicted and observed. We here describe results of a search for new dipole-bound and solvated electron systems. (author).

Science.gov (United States)

During this report period, we have obtained a model of montmorillonite clay, and this model has been of great assistance in visualizing how the chemistry of substrate molecules might be altered as it occurs on the surface of the clay. A stereochemical representation of this montmorillonite model is shown. Of particular significance, this model indicates that hydroxyl groups are located in the center of each siloxane ring on the surface of the montmorillonite clay. These hydroxyl groups might serve to bond substrate molecules to the surface of the clay. The next step in our systematic examination of the radical cation-initiated dimerization of plant monomers from the C{sub 6}-C{sub 3} pool of shikimic acid metabolites was to study the dimerization of cinnamic acid and its derivatives. In the next block of research, we examined the reaction of montmorillonite clay (K-10) with methyleugenol. 2 refs.

International Nuclear Information System (INIS)

Thienyl oxazoles and thienyl isoxazoles, are composite molecules having two subsystems thiophene and oxazole molecules connected together by a single bond that they have 13 isomers. They are potential candidates for many kinds of applications such as OLED and nonlinear optical materials. Initially equilibrium geometries of title compounds have been obtained without any restriction using density functional theory with 6-311++g(2d,p) basis set. We obtained structural parameters, dipole moment and electronic energy. At the second stage, we have calculated some electronic and nonlinear optical properties such as HOMO and LUMO energies, polarizability, anisotropic polarizability and hyper polarizability using same level of theory.

Science.gov (United States)

Bacteriocins are an abundant class of antimicrobial molecules that appear to mediate population dynamics within species. The bacteriocins of Escherichia coli have served as a model for exploring the ecological role of these potent toxins. Studies suggest that colicins provide a competitive edge in nutrient-poor environments and that there might be a trade-off between the costs and benefits of colicin production. PMID:10203843

Energy Technology Data Exchange (ETDEWEB)

Both solvent extraction and spectrophotometric techniques were used to show the alterations that gamma radiation causes in the behavior of tetracycline molecule as far as its extracting and complexing power are concerned. The effect of gamma radiation on the solid tetracycline molecule, benzyl alcohol and on the solution of both was examined in solvent extraction systems whose aqueous phases were made up by {sup 152} Eu-{sup 154}Eu radioactive tracer solutions and whose organic phases were constituted by tetracycline-benzyl alcohol solutions. Experiments were performed in order to determine whether or not the water used for the pre-saturation of benzyl alcohol would influence the radiolysis of tetracycline. Solvent extraction and spectrophotometry were the techniques used to obtain the necessary data. Absorption spectra of irradiated tetracycline benzyl alcohol solutions submitted to several gamma radiation doses were examined and the ...

UK PubMed Central (United Kingdom)

Human serum albumin (HSA) has two primary binding sites for drug molecules. These sites selectively bind different dansylated amino acid compounds, which—due to their intrinsic fluorescence—have...Full Text Available

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The Rayleigh scattering of Moessbauer radiation has been measured on highly oriented fibres of Na-hyaluronate at different hydration levels. The elastic- and-inelastic-scattering intensities, measured as a function of the scattering vector Q, have provided information on the dynamic structuring of the water molecules to the polysaccharidic chains.

International Nuclear Information System (INIS)

The author is exploring the efficiency of pulsed plasma processing in the removal of nitrogen dioxide, nitrogen oxide, and other pollutants. This process uses an electrical discharge to create chemical radicals from air molecules. These radicals can react with pollutants and form harmless compounds. Additives such as hydrocarbons are also used to improve the efficiency of the removal. The efficient removal of nitrogen dioxide has required the presence of dilute aqueous solution of ammonia.

Energy Technology Data Exchange (ETDEWEB)

We study by means of Quantum Monte Carlo simulations based on the Worm Algorithm the low temperature (down to T = 0.05 K) properties of parahydrogen clusters comprising up to 40 molecules. Three different intermolecular interactions are employed: the Silvera-Goldman, the Buck and the Lennard-Jones potential. Despite important discrepancies observed in the numerical estimates of energy and superfluid fraction, the mechanism by which clusters melt at low T is independent of the particular choice of the potential, whose only effect is to alter the temperature scale.

Energy Technology Data Exchange (ETDEWEB)

This meeting focussed on the study of the structure and dynamics of biological molecules, with particular emphasis on neutron and complementary methods as well as related enabling technologies. The program covered biological problems that are being addressed by neutron scattering and those where there is the potential to do so in the future. This document provides the abstracts of the different presentations. (A.L.B.)

Energy Technology Data Exchange (ETDEWEB)

Experiments are reported in which a methane plasma is created, and the methyl ions and hydrogen ions are accelerated within a microchannel array so that they interact with neutral methane molecules on the inside surfaces of the microchannels. No catalysts are used, and the device operates at room temperature. Impact energies of the ions are in the range of 10 eV to greater than 100 eV, and the energy delivered in the interaction at the surfaces causes the production of larger hydrocarbon molecules, such as C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and C{sub 2}H{sub 6}, along with C{sub 3}, C{sub 4}, C{sub 5}m C{sub 6}, C{sub 7}m and C{sub 8} molecules. There is a decreasing percentage of larger molecules produced, in comparison with the C{sub 2} and C{sub 3} types. Conversion effectiveness is greater at higher pressure, due to the increased ionic activity. The yield of the higher hydrocarbons depends upon the ...

Energy Technology Data Exchange (ETDEWEB)

Titanium and aluminum alkoxide derivatives with polymerizable ligands such as 2-(methacryloyloxy)ethylacetoacetate (HAAEMA), oleic acid and geraniol (HOGE) have been obtained. The various compounds have been characterized by FT-IR and NMR {sup 1}H. Copolymerization with styrene and divinylbenzene affords porous doped organic materials which have been characterized by scanning electron microscopy (SEM), elemental analysis, density measurements.

Science.gov (United States)

During the period covered by this report research has been concerned with the study of photo-induced electron transfer reactions from porphyrins to acceptor molecules with time-resolved Electron Paramagnetic Resonance (EPR) methods. Excited-state electron transfer reactions are of importance from a fundamental point of view and in connection with applications in homogeneous and heterogeneous photosensitization, photopolymerization, and solar energy conversions. For this reason, the study of photo-induced electron transfer reactions is of considerable interest.

Science.gov (United States)

Organic molecules are a significant and highly varied component of atmospheric aerosols. Measurement of aerosol composition and improvements in our understanding of the complex chemistry involved in their formation and aging are being aided by innovations in soft ionization aerosol MS. (To listen to a podcast about this feature, please go to the Analytical Chemistry multimedia page at pubs.acs.org/page/ancham/audio/index.html.). PMID:21275431

International Nuclear Information System (INIS)

Full text: Hybrid functionals, containing a fraction of the exact exchange, allow for a rather accurate treatment of e.g. small molecules and band gaps in bulk materials. A plane-wave based algorithm was implemented in VASP (Vienna Ab-initio Simulation Package) to accomplish the calculation of the exact exchange. Two functionals including exact exchange are presently available, i.e. the PBE0 (Perdew-BurKEX-Ernzerhof) and the HSE (Heyd-Scuseria-Ernzerhof). A rigorous assessment of the implementation was performed by geometry optimization and calculation of the atomization energies of the G2-1 quantum chemical test set, containing 55 molecules. Excellent agreement compared to corresponding Gaussian 03 data and good agreement with experiment was achieved. The mean absolute error (theory related to experiment) for the atomization energies calculated with the PBE and the PBE0 is 8.6 and 3.7 kcal/mol, respectively. To investigate the properties of ...

UK PubMed Central (United Kingdom)

Two integrated hepatitis B virus (HBV) DNA molecules were cloned from two primary hepatocellular carcinomas each containing only a single integration. One integration (C3) contained a single linear...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

During this report period our research efforts have concentrated on studies of the dissociation reactions of model peptides and other biologically important molecules. In addition, a considerable amount of research effort has been directed toward improving the apparatus used for laser-ion beam photodissociation. The instrumental improvements include some changes on the original apparatus, but most of this effort involved designing a second generation laser-ion beam photodissociation instrument.

UK PubMed Central (United Kingdom)

BackgroundThe orphan nuclear receptor estrogen-related receptor α (ERRα) is a member of the nuclear receptor superfamily. It was identified through a search for genes...Full Text Available

UK PubMed Central (United Kingdom)

Cytomegalovirus (CMV)-seropositive patients with ESRD may have more CD4⁺ T cells lacking the co-stimulatory molecule CD28 (CD4⁺CD28null) than CMV-seronegative patients. Increased...Full Text Available

UK PubMed Central (United Kingdom)

F₁-ATPase (F₁), a soluble portion of F_oF₁-ATP synthase (F_oF₁), is an ATP-driven motor in which γϵ subunits rotate in...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

This critical review with 28 references examines absorption and emission in the v2 band of the carbon dioxide molecule at around the 15micron wavelength. The argument for additional infrared absorption, the enhanced greenhouse effect due to increased carbon dioxide concentrations, and radiation transport and increased emissions are discussed. Experiments studying the transmission spectra of pure carbon dioxide and carbon dioxide in nitrogen, and comparing them with the results of climate modelling using the HITRAN and GEISA databases, are described.

International Nuclear Information System (INIS)

The absolute cross sections of "2"3Na(p,n)"2"3Mg, "2"7Al(p,n)"2"7Si and "3"0Si(#alpha#,n)"3"3S reactions were measured in the incident energy range of 5.05 to 5.80, 5.80 to 6.25 and 3.975 to 6.235 MeV respectively using a spherically shaped 4#pi# neutron detector. In the energy range 5.80 to 7.80 and 6.235 to 11.30 MeV the absolute cross sections of "2"3Na(p,n)"2"3Mg and "3"0Si-(#alpha#,n)"3"3S reactions were determined by optical model calculations. The cross sections of the inverse reactions "2"3Mg(n,p)"2"3Na and "3"3S(n,#alpha#)"3"0Si were also calculated by the same method for the neutron energy range of 10 keV to 7.50 MeV for each reaction. The cross section of the latter reaction in the neutron energy range of 10 keV to 840 keV was also determined from its inverse reaction "3"0Si(#alpha#,n)"3"3S by the application of the detailed balance theorem. The ...

British Library Electronic Table of Contents (United Kingdom)

The 6n-dimensional phase space of the planetary (1+n)-body problem (after the classical reduction of the total linear momentum) is shown to be foliated by symplectic leaves of dimension (6n?2) invariant for the planetary Hamiltonian Formula Not Shown . Such foliation is described by means of a new global set of Darboux coordinates related to a symplectic (partial) reduction of rotations. On each symplectic leaf Formula Not Shown has the same form and it is shown to preserve classical symmetries. Further sets of Darboux coordinates may be introduced on the symplectic leaves so as to achieve a complete (total) reduction of rotations. Next, by explicit computations, it is shown that, in the reduced settings, certain degeneracies are removed. In particular, full torsion is checked both in the ...

International Nuclear Information System (INIS)

Three new phases with compositions, LaSr_2FeTiO_7, NdSr_2FeTiO_7 and GdSr_2FeTiO_7, were prepared by the traditional ceramic method. Lazy-Pulverix analysis of the X-ray diffraction data suggests that the phases crystallize in the RP-type (n = 2) structure in the space group, I4/mmm. The cell dimensions along the c-axis decrease with decrease in size of the rare earth ions. Electrical resistivity, as a function of temperature, shows that the materials are insulators and the resistivity decreases with decrease in the size of the rare earth ion, which is attributed to increase in the three-dimensional character. (author)

International Nuclear Information System (INIS)

Ion desorption from a condensed gas solid Ne impacted by singly- and multiply-charged Ar"q"+ ions (q = 1-7) has been investigated. Various secondary ions such as cluster ions, Ne"+_n (n = 2-20) as well as atomic ions are observed. Mass spectral patterns, thickness dependence of the yields, and kinetic energy distributions of the desorbed Ne"+_n (n = 1,2) depend strongly on the projectile charge state. These results indicate that the dissipation of the projectile potential energy on the surface leads to the desorption of the monomer and small cluster ions by a Coulomb repulsion between adjacent target ions.

International Nuclear Information System (INIS)

A simple and rapid procedure was developed for the purification of cyclotron-produced "2"0"3Pb via the "2"0"3Tl(d,2n) "2"0"3Pb reaction. A Pb(II) selective ion-exchange resin, with commercial name Pb Resin from Eichrom Technologies, Inc., was used to purify "2"0"3Pb from the cyclotron-irradiated Tl target with excellent recovery of the enriched Tl target material. The purified "2"0"3Pb was used to radiolabel the monoclonal antibody Herceptin. The in vitro and in vivo properties of the "2"0"3Pb radioimmunoconjugate were evaluated.

International Nuclear Information System (INIS)

The recent acceleration of effort to elucidate and explore the coordination chemistry of technetium has been prompted mainly by the need for a new generation of radiotracers in nuclear medicine, preferentially for tomograhic studies. Current approaches and their limitations in designing "9"9"mTc complexes capable of penetrating cell membranes of the target organs, and remaining there sufficiently long, are reviewed. With the predominance of Tc(V) oxo compounds, especially for brain imaging agents, new N4 and N2S2 coordinate complexes have been developed by shifting from bidentate to tetradentate ligands with a variable side chain or other adjustable reactivity. The search for myocardial imaging agents has focused on a variety of mixed ligand complexes of Tc(III) and most promising [Tc(CNR)_6]"+ complexes of Tc(I). 64 refs. (author).

British Library Electronic Table of Contents (United Kingdom)

We demonstrate a novel cross-sectional deformation, called the radial corrugation, of multi-walled carbon nanotubes (MWNTs) under hydrostatic pressure. Theoretical analyses based on the continuum elastic approximation have revealed that MWNTs consisting of more than ten concentric walls undergo elastic deformations at critical pressure Formula Not Shown , above which the circular shape of the cross-section becomes radially corrugated. Various corrugation modes have been observed by tuning the innermost tube diameter and the number of constituent walls, which is a direct consequence of the core-shell structure of MWNTs. Cross-sectional views of MWNT under high hydrostatic pressure: elliptic deformation with the mode index n = 2 (left), and radial corrugations with n = 5 (center), and n = 6 ...

International Nuclear Information System (INIS)

The positive-energy unitary irreducible representations of the q-deformed conformal algebra #delta#C_q = U_q(su(2,2)) are obtained by appropriate deformation of the classical ones. When the deformation parameter q is N -th root of unity, all these unitary representations become finite-dimensional. For his case we discuss in some detail the massless representations, which are also irreducible representations of the q-deformed Poincare subalgebra of #delta#C_q. Generically, their dimensions are smaller than the corresponding finite-dimensional non-unitary representation of su(2,2), except when N = 2 modul h + 1, where h is the helicity of the representations. The latter cases include the fundamental representations with h = #+-#1/2. (author). 10 refs.

Energy Technology Data Exchange (ETDEWEB)

To evaluate the effectiveness of percutaneous mechanical declotting. Using a 7-F Desilets-Hoffman sheath and the crossed-catheter technique, we aspirated the intragraft clot and pushed the residual clot into the central circulation with balloon catheters. The success rate, procedure time, complications and patency rates were evaluated. Technical success was achieved in 24 of 32 cases, with a procedure time of 30-240 (average, 111) minutes. In five of eight cases in which technical failure occurred, the guide wire failed to reach the stenotic site and in the other three, there was insufficient luminal dilatation. Complications included vein ruptures (n=2), arterial emboli (n=1) and arterial dissection (1), but there was no evidence of clinical symptoms of pulmonary embolism. The six-month patency rate was 67.8%. Mechanical declotting of thrombosed dialysis graft using a balloon catheter is relatively inexpensive, safe and fast, and is well ...

International Nuclear Information System (INIS)

An accurate neutronics calculation of a local thermal environment within a fast reactor presents a major challenge. A method was previously described that used Monte Carlo techniques within a macrocell to make accurate and reasonably efficient design calculations for such an environment. This method is now being further optimized for the calculation of "2"3"8Pu production in the Fast Flux Test Facility (FFTF). Here, it is not only important to determine the "2"3"8Pu production from neutron capture in "2"3"7Np, but also to calculate the production of the contamination isotope "2"3"6Pu from high-energy (n,2n) and (#gamma#,n) reactions. The power of the Monte Carlo method to automatically include geometry and energy self-shielding is retained by optimization using fission neutron source biasing in both space and energy.

International Nuclear Information System (INIS)

We describe in detail the space of the two Kaehler parameters of the Calabi-Yau manifold P_4"("1","1","1","6","9")[D. R. Morrison, 1993] by exploiting mirror symmetry. The large complex structure limit of the mirror, which corresponds to the classical large radius limit, is found by studying the monodromy of the periods about the discriminant locus, the boundary of the moduli space corresponding to singular Calabi-Yau manifolds. A symplectic basis of periods is found and the action of the Sp(6, Z) generators of the modular group is determined. From the mirror map we compute the instanton expansion of the Yukawa couplings and the generalized N=2 index, arriving at the numbers of instantons of genus zero and genus one of each bidegree. We find that these numbers can be negative, even in genus zero. We also investigate an SL(2, Z) symmetry that acts on a boundary of the moduli space. ((orig.)).

International Nuclear Information System (INIS)

With the assistance of mechanical activation, yttrium-stabilized #alpha#-SiAlON was prepared by combustion synthesis in air, instead of high-pressure N_2 atmosphere for the first time. The reaction activity of metallic particles was remarkably enhanced by mechanical activation, which conduced the reduction of grain size, increased the total surface area and formation of fresh surface. The formation of #alpha#-SiAlON by combustion synthesis in air was explained by a kinetically induced reaction mechanism, in which both initial formation of #alpha#-SiAlON and following avoidance of oxidation were fulfilled by the retardation of O_2 infiltration owing to the short reaction period and fast cooling rate.

International Nuclear Information System (INIS)

Chromium nitride thin films were deposited on SA-304 stainless steel substrates by using direct-current reactive magnetron sputtering. The influence of process conditions such as nitrogen content in the fed gas, substrate temperature, and different sputtering gases on microstructural characteristics of the films was investigated. The films showed (200) preferred orientation at low nitrogen content (< 30%) in the fed gas. The formation of Cr_2N and CrN phases was observed when 30% and 40% N_2 were used, with a balance of Ar, respectively. Field emission scanning electron microscopy and atomic force microscopy were used to characterize the morphology and surface topography of the thin films, respectively. Microhardness tests showed a maximum hardness of 16.95 GPa for the 30% nitrogen content.

CERN Document Server

In these lecture notes we derive a generic holographic string theory realization of a p-wave superconductor and superfluid. For this purpose we also review basic D-brane physics, gauge/gravity methods at finite temperature, key concepts of superconductivity and recent progress in distinct realizations of holographic superconductors and superfluids. Then we focus on a D3/D7-brane construction yielding a superconducting or superfluid vector-condensate. The corresponding gauge theory is 3+1-dimensional N=2 supersymmetric Yang-Mills theory with SU(N) color and SU(2) flavor symmetry. It shows a second order phase transition to a phase in which a U(1) subgroup of the SU(2) symmetry is spontaneously broken and typical superconductivity signatures emerge, such as a conductivity (pseudo-)gap and the Meissner-Ochsenfeld effect. Condensates of this nature are comparable to those recently found experimentally in p-wave superconductors such as a ruthenate ...