Science.gov (United States)

We have demonstrated fluorescence resonance energy transfer (FRET) between lanthanide-ion doped oxide nanoparticles acting as donors and organic acceptor molecules (Cy5). Due to the long nanoparticle lifetime and the large Stokes shift between nanoparticle absorption and emission, unambiguous and precise FRET measurements can be performed despite the presence of large free acceptor oncentrations. We determined FRET efficiencies as a function of Cy5 concentration which are in very good agreement with a multiple acceptor-multiple donor calculation.

Science.gov (United States)

Porcine pancreatic lipase immobilized on celite particles has been employed as a catalyst for the esterification of dodecanol and decanoic acid in a predominantly organic system. Solvent influence on the equilibrium position and on the catalyst activity has been studied using 20 solvents, including aliphatic and aromatic hydrocarbons, ethers, ketones, nitro- and halogenated hydrocarbons, and esters. The equilibrium constant for esterification correlates well with the solubility of water in the organic solvent, which in turn shows a good relationship with a function of Guttman's donor number and the electron pair acceptance index number of the solvent. This may be rationalized in terms of the requirements for solvation of water and of the reactants. The catalyst activity, measured as the initial rate of the esterification reaction, is best correlated as a function of both n-octanol-water partition coefficient (log P) and either the electron pair ...

Science.gov (United States)

(TSM-TTP)(I3)5/3 is a 1/6 -filled one-dimensional system composed of an extended donor molecule which has two tetrathiafulvalene (TTF) units in a molecule, where TSM-TTP is 2,5-bis[4,5-bis(methylseleno)-1,3-dithiol-2-ylidene]-1,3,4,6-tetrathiapentalene. Nonlinear conductivity is observed in the insulating state below 20K , and the metallic state is restored above a very small threshold electric field of 0.3V/cm at 4.2K . The extremely sensitive nonlinearity is ascribed to the inhomogeneous insulating state generated by the weak and disordered anion potentials on the otherwise highly conducting intramolecular charge order state in the double-TTF molecule.

International Nuclear Information System (INIS)

A new potential function based on spectroscopic results for diatomic molecules is presented and applied to the hydrogen bonding systems. The potential energy of interaction is supposed to have electrostatic, polarization, dispersion, repulsion and effective charge-transfer contributions. Estimates of the effective charge-transfer quantity have been made based on the average charge of the proton donor and the acceptor atoms. For dimers such as water, methanol, acetic acid and formic acid, the vibrational stretching frequencies and dimerization energies are calculated and discussed in connection with Badger-Bauer rule. (author).

Science.gov (United States)

The design and parameters of a UV-VUV spontaneous radiation source - an excilamp operating on chlorides of rare gases ArCl{sup *}, KrCl{sup *} and XeCl{sup *} in the wavelength range 175-308 nm are presented. The Ne-Xe(Kr, Ar)-HCl mixtures were excited by a high-pressure self-sustained discharge with spark preionisation. It is shown that upon pumping mixtures of rare gases and halogens by a transverse discharge, the intensities of the B-X emission band of molecules ArCl{sup *}, KrCl{sup *} and XeCl{sup *} are comparable and up to 90% of the emission energy of excilamps can be concentrated in the UV region. The peak UV power density at 222 and 308 nm on the output window of the excilamp was {approx}2 kW cm{sup -2} for the pulse energy up to {approx} 3 mJ. The output emission energy of the excilamp at 175 nm achieved {approx}0.6 mJ and the peak power density was {approx}0.4 kW cm{sup -2}. (laser applications and other topics in quantum ...

UK PubMed Central (United Kingdom)

PURPOSETo compare hand-assisted laparoscopic donor nephrectomy and pure laparoscopic live donor nephrectomy techniques in live donor nephrectomy.METHODSIn...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

A solid electrolyte cell comprises an alkali metal anode, e.g. lithium, a halogen-containing organic polymer cathode and a solid elecrolyte between the anode and the cathode. The cathode comprises iodine-containing vacuum-cyclised polyacrylonitrile, and the solid electrolyte is preferably lithium iodide and halogen-free vacuum-cyclised polyacrylonitrile. This patent also discloses the use of isotactic polyacrylonitrile, a method of making a cathode comprising iodine-containing vacuum-cyclised polyacrylonitrile, and novel methods of making the solid elecrolyte cells described.

UK PubMed Central (United Kingdom)

Recent field observations have shown that the atmospheric plumes of quiescently degassing volcanoes are chemically very active, pointing to the role of chemical cycles involving halogen species and...Full Text Available

DEFF Research Database (Denmark)

The heavy chain (HC) subunits of the bikunin proteins are covalently attached to a single chondroitin sulfate (CS) chain originating from bikunin and can be transferred to different hyaluronan (HA) molecules by TSG-6/HC2. In the present study, we demonstrate that HCs transferred to HA may function as HC donors in subsequent transfer reactions, and we show that the CS of bikunin may serve as an HC acceptor, analogous to HA. Our data suggest that TSG-6/HC2 link HCs randomly on the CS chain of bikunin, in contrast to the ordered attachment observed during the biosynthesis. Moreover, the results show that the transfer activity is indifferent to the new HC position, and the relocated HCs are thus prone to further TSG-6/HC2-induced transfer reactions. The data suggest that HCs may be transferred directly from HA to HA without the involvement of the bikunin CS chain. The results demonstrate reversibility of the interactions between HCs and ...

Science.gov (United States)

The visible absorption spectra of 1,4-(dihydroxy)-9,10-anthraquinone and of Co(II), Ni(II), Cu(II) and Zn(II) chelates have been studied in different organic solvents. This system provides a model for the anthracycline antibiotics and their metal chelates. The band structure of the spectrum has been determined using the second and fourth derivatives of the spectrum. The visible absorption band of the parent molecule can be assigned to a single electronic state with a reduced dipole moment in the excited state; structure in this band is ascribed to two overlapping vibrational progressions. In contrast, the dianion (hydroxy protons removed) shows a single electronic state with an increased dipole moment in the excited state; structure in this band can be assigned to a single vibrational progression. All of the metal chelates show spectra which are similar in appearance to that of the dianion although the identity of the metal determines the bathochromic shift of the ...

International Nuclear Information System (INIS)

A series of crown ethers carrying a pyrene group with nitrogen-sulfur donor atoms, that differ in having three, four and five sulfur atoms in the macrocycle was designed and synthesized by the reaction of the corresponding macrocyclic compound and 1-bromomethylpyrene. The influence of metal cations such as Mn2+, Fe2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Cd2+, Hg2+, Pb2+ and Al3+ on the spectroscopic properties of the ligands was investigated in acetonitrile-dichloromethane (1:1) by means of absorption and emission spectrometry. Absorption spectra show isosbestic points in the spectrophotometric titration of Fe2+, Zn2+, Cu2+, Pb2+ and Hg2+. The results of spectrophotometric titration experiments disclosed the complexation compositions and complex stability constants of the novel ligands with Fe2+, Zn2+, Cu2+, Pb2+ and Hg2+ cations. The monoazatetrathia crown ether showed good sensitivity for Cu2+ with linearity in the range 5.0x10-7-2.5x10-6 M and detection limit of ...

Science.gov (United States)

Metam sodium (metam) is a widely used soil fumigant. Combined application of metam and other available fumigants is intended to produce synergic pesticidal effects for a broad spectrum of pest control in soil fumigation. This study aimed to test the compatibility of metam with the halogenated fumigants 1,3-dichloropropene (1,3-D), chloropicrin, methyl bromide, methyl iodide and propargyl bromide. Halogenated fumigants and metam were spiked simultaneously into organic solvents, water and moist soils, and metam-induced degradation of these halogenated chemicals was evaluated. In all three media, the halogenated fumigants were incompatible with metam and degraded via rapid chemical reactions. The degradation rate varied with halogenated fumigant species and increased as the amount of metam present was increased. In moist soil, 15-95% of the halogenated fumigants ...

Energy Technology Data Exchange (ETDEWEB)

Ion beams of halogens can be produced either positively or negatively charged, depending on the employed ion source. At CERN-ISOLDE, although positively charged fluorine and astatine can be obtained from a hot plasma ion source, they are often contaminated by isobars and molecular sidebands. This has generated a request from the scientific community for fluorine and astatine negative ion beams free of contaminants. The high selectivity ensured by the surface ionisation process also makes negative beams of chlorine, bromine and iodine highly attractive. However, the efficiency figures for negative surface ionisation of fluorine and astatine were lower than the ones from the hot plasma. Here we report our R and D on new surface ion sources suitable for the production of negative halogen beams.

Energy Technology Data Exchange (ETDEWEB)

A process for the generation of halogens from halide-containing solutions includes the step of conducting electrolysis of the solutions in an electrolytic cell having a platinum based amorphous metal alloy anode.

UK PubMed Central (United Kingdom)

Sphingomonas (formerly Pseudomonas) paucimobilis UT26 utilizes γ-hexachlorocyclohexane (γ-HCH), a halogenated organic insecticide,...Full Text Available

British Library Electronic Table of Contents (United Kingdom)

Abstract Series of typical -type and pseudo--type halogen-bonded complexes BClY and BBrY and hydrogen-bonded complex BHY (B = C2H4, C2H2, and C3H6; Y = F, Cl, and Br) have been investigated using the MP2/aug-cc-pVDZ method. A striking parallelism was found in the geometries, vibrational frequencies, binding energies, and topological properties between BXY and BHY (X = Cl and Br). It has been found that the lengths of the weak bond d(X)/d(H), the frequencies of the weak bond (X)/(H), the frequency shifts (XY)/(HY), the electron densities at the bond critical point of the weak bonds c(X)/c(H), and the electron density changes c(XY)/c(HY) could be used as measures of the strengths of typical -type and pseudo--type halogen/hydrogen bonds. The typical -type and pseudo--type halogen bond and hyd...

UK PubMed Central (United Kingdom)

Background:The minimum hemoglobin cutoff for blood donation in India is 12.5 gm% for both male and female donors and the minimum donation interval is 3 months. Donation...Full Text Available

KoreaScience (Korea)

Full Text Available

UK PubMed Central (United Kingdom)

A sensitive radioimmunoassay method for HBeAg and anti-HBe allowed 98.4% of HBsAg positive blood donors to be classified. HBeAg was more prevalent in blood donors under 30 years of age and anti-HBe...Full Text Available

International Nuclear Information System (INIS)

Full text: The general population is daily exposed to chronic, low doses of ionizing radiation (IR) from both natural and artificial sources. The biological consequences of acute, high dose IR exposure can be readily determined; however, the nature and significance of low dose, low dose-rate IR effects are still the subject of debate. Confounding the issue, are the phenomena collectively referred to as the Radiation-induced Bystander Effect (RIBE). The RIBE describes a collection of in vitro observations that suggest the presence of a soluble, transmissible factor(s) released from irradiated cells that can induce a biological response in un-irradiated cells. The induction, nature and magnitude of the RIBE varies between cell culture systems, radiation sources and end-points measured. Efforts to confirm the presence of the RIBE in vivo have been confined to in vivo-like culture systems and limited work with tumour and bone-marrow transplantation models. Validation of the RIBE in vivo ...

International Nuclear Information System (INIS)

The transfer kinetics of the negatively charged glycosphingolipid II"3-N-acetylneuraminosyl-gangliotetraosylceramide (GM_1) were investigated by monitoring tritiated GM_1 movement between donor and acceptor vesicles. After appropriate incubation times at 45 "0C, donor and acceptor vesicles were separated by molecular sieve chromatography. Donors were small unilamellar vesicles produced by sonication, whereas acceptors were large unilamellar vesicles produced by either fusion or ethanol injection. Initial GM_1 transfer to acceptors followed first-order kinetics with a half-time of about 40 h assuming that GM_1 is present in equal mole fractions in the exterior and interior surfaces of the donor vesicle bilayer and that no glycolipid flip-flop occurs. GM_1 net transfer was calculated relative to that of ["1"4C]cholesteryl oleate, which served as a nontransferable marker in the donor ...

British Library Electronic Table of Contents (United Kingdom)

Samples of two seawater farmed fish (crimson snapper (Lutjanus erythopterus) and snubnose pompano (Trachinotus blochii)), water, air, sediment, fish feed, macroalgae and phytoplankton were collected from two estuarine bays (Daya Bay and Hailing Bay) in South China. The concentrations of persistent halogenated compounds (PHCs) including polybrominated diphenyl ethers (PBDEs), organochlorine pesticides and polychlorinated biphenyls (PCBs) varied widely with the different sample matrices under investigation. The compositional patterns in fish, fish feed, macroalgae and phytoplankton, as well as the good correlations between the abundances of p,pprime-DDT and BDE-209 and their metabolites (i.e., p,pprime-DDD and p,pprime-DDE for p,pprime-DDT and BDE-47 for BDE-209) in fish indicated the occurr...

Energy Technology Data Exchange (ETDEWEB)

Strains in multivalley semiconductors can destroy the strict equivalence of the valleys that is demanded by cubic symmetry. Significant changes in the properties of a semiconductor may result. A proposed implementation of quantum computing with donor atoms in silicon would suffer from alterations of the donor wave functions caused by strains that are produced by fabrication processes. Deliberately straining the silicon to an extent that removed all but one valley from participation in the lowest donor state, would prevent further changes in the wave function by strain. The strain required can be achieved with established technology for depositing silicon on SiGe alloys. (author)

Science.gov (United States)

... Briefly, a standard detonator (normally the Scale 1 Gap Test Donor, comprising an exploding bridgewire to initiate a low density PETN pellet and ...

International Nuclear Information System (INIS)

Published in summary form only.

Environmental Research Database

DescriptionMeasurements of halocarbons (CFCs and other halogen-containing compounds) in the tropical stratosphere will be made from a long duration MIR balloon. The balloon and instruments are capable of flying for three or more weeks in which time they will circum-navigate the globe. As the balloon rises each morning and falls each evening, measurements of halocarbons will be made every few hundred meters between about 20 and 30 km. In total it is hoped that over 40 such vertical profiles will be obtained [continued...

Science.gov (United States)

Partial Contents: Ternary Compounds; Granular Superconductors; Superconductivity in (SN)x and its Halogen Derivative (SNBr0.4)x; Studies of cuCl at Elevated Pressures; Superconducting Properties of Hydride Systems; Thin Film Superconducting Materials Research; Synthesis of Superconducting Nb3Si using High Pressures; Synthesis of Unstable A-15 Compounds by Epitaxial Recrystallization of Ion Implanted Layers; and Sputtering of Nb3Si.

UK PubMed Central (United Kingdom)

The halogenated benzimidazoles BDCRB (2-bromo-5,6-dichloro-1-β-d-riborfuranosyl benzimidazole riboside) and TCRB (2,5,6-trichloro-1-β-d-riborfuranosyl benzimidazole...Full Text Available

UK PubMed Central (United Kingdom)

The use of 2-pyridinealdoxime (paoH)/N,N′-donor ligand (L-L) “blend” in cobalt chemistry has afforded two cationic mononuclear cobalt(III) complexes of the general type [Co(pao)₂(L-L)]⁺,...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The transfer kinetics of the neutral glycosphingolipid gangliotetraosylceramide (asialo-GM1) were investigated by monitoring tritiated asialo-GM1 movement from donor to acceptor vesicles. Two different methods were employed to separate donor and acceptor vesicles at desired time intervals. In one method, a negative charge was imparted to dipalmitoylphosphatidylcholine donor vesicles by including 10 mol% dipalmitoylphosphatidic acid. Donors were separated from neutral dipalmitoylphosphatidylcholine acceptor vesicles by ion-exchange chromatography. In the other method, small, unilamellar donor vesicles and large, unilamellar acceptor vesicles were coincubated at 45 degrees C and then separated at desired time intervals by molecular sieve chromatography. The majority of asialo-GM1 transfer to acceptor vesicles occurred as a slow first-order process with a half-time of about 24 days ...

CERN Document Server

I review what we know about the donor stars in cataclysmic variables (CVs), focusing particularly on the close link between these binary components and the overall secular evolution of CVs. I begin with a brief overview of the "standard model" of CV evolution and explain why the key observables this model is designed to explain - the period gap and the period minimum -- are intimately connected to the properties of the secondary stars in these systems. CV donors are expected to be slightly inflated relative to isolated, equal-mass main-sequence (MS) stars, and this "donor bloating" has now been confirmed observationally. The empirical donor mass-radius relationship also shows a discontinuity at M_2 = 0.2 M_sun which neatly separates long- and short-period CVs. This is strong confirmation of the basic disrupted magnetic braking scenario for CV evolution. The empirical M_2-R_2 relation can be combined ...

International Nuclear Information System (INIS)

We have developed a new method for calculating common envelope (CE) events based on explicit consideration of the donor star's structural response to adiabatic mass loss. In contrast to existing CE prescriptions, which specify a priori the donor's remnant mass, we determine this quantity self-consistently and find that it depends on binary and CE parameters. This aspect of our model is particularly important to realistic modeling for upper main-sequence star donors without strongly degenerate cores (and hence without a clear core/envelope boundary). We illustrate the central features of our method by considering CE events involving 10 M_s_u_n donors on or before their red giant branch. For such donors, the remnant core mass can be as much as 30% larger than the star's He-core mass. Applied across a population of such binaries, our methodology results in a significantly broader ...

Science.gov (United States)

Not Available

British Library Electronic Table of Contents (United Kingdom)

Introduction: Haploidentical transplantation, with extensive T cell depletion to prevent GvHD, is associated with a high incidence of infection-related deaths. The key challenge is to improve immune recovery with allogeneic donor T cells without triggering GvHD. As T regulatory cells (Tregs) controlled GvHD in pre-clinical studies, the present study evaluated the impact of an infusion of donor CD4/CD25 + Tregs, followed by an inoculum of donor mature T cells (Tcons) and positively immunoselected CD34 + cells in the setting of haploidentical stem cell transplantation. Patients and methods: Twenty-eight patients were enrolled in this study (22 AML; 5 ALL; 1 NHL). All received immunoselected Tregs (CliniMACS, Miltenyi Biotec) followed by positively immunoselected CD34 + cells together with Tc...

Energy Technology Data Exchange (ETDEWEB)

Hydrogenation of napthalene to tetralin using activated red mud as catalyst was studied as a typical hydrogen-donor system. Under the chosen reaction conditions, unprocessed red mud resulted in a conversion of napthalene of 3.55%. The most active catalyst, prepared by adding 20 wt% of TiO/SUB/2 to the red mud, followed by acid digestion and re-precipitation, resulted in a 58% conversion of naphthalene. This technology may have an important bearing on processes such as coal hydrogenation or crude-oil-residue processing, where the rate of reaction and product quality may depend upon the rate at which a hydrogen-donor solvent can be re-hydrogenated. (7 refs.)

International Nuclear Information System (INIS)

In this work, we present results of a systematic study of optical properties of Er"3"+ ions in 6H SiC. The role of N-donors played in activation of photoluminescence (PL) of erbium at 1.5 #mu#m was investigated. We have confirmed that N-donors are necessary for activation of the Er PL on one hand, whereas on the other we present evidence that N-donors compete for excitation with Er centres. The high-resolution measurements of the Er"3"+ PL were performed aiming at determination of crystal field split levels of the "4I_1_5_/_2 ground and "4I_1_3_/_2 first excited multiplet of Er"3"+ ions. Careful analysis of temperature evolution of individual PL lines allowed proposing energy level schemes for the ground and first excited states.

Energy Technology Data Exchange (ETDEWEB)

Genes for chloramphenicol resistance, Cm(r) and tetracycline resistance, Tc(r), which are present as heterologous insertions in the chromosomes of some clinical isolates of Streptococcus pneumoniae (pneumococcus) and derivative strains, were transferred at a low frequency to other pneumococci by a DNase-resistant filter mating process that resembles conjugation. Cotransfer of Cm(r) and Tc(r) was the most common event. Neither the donor strains nor the transconjugants contained detectable plasmids. Transconjugants acted as donors for transformation and for filter mating and had properties similar to those of the parent strain. The presence of the conjugative plasmid pIP501 in the donor did not appear to influence the transfer properties of the Cm(r) or Tc(r) determinants.

Energy Technology Data Exchange (ETDEWEB)

'The interactions of carbon tetrachloride with strongly basic oxides and hydroxides have been studied by several techniques in order to understand the surface reactions and the subsequent bulk reactions that result in the destruction of the chlorinated hydrocarbon. Emphasis has been placed on understanding the surface phases, as well as the bulk phases, that are present during these transformations. As a result of the study with barium oxide, a reaction cycle has been demonstrated that may have practical significance in the removal of chlorinated hydrocarbons.'

Energy Technology Data Exchange (ETDEWEB)

A chemically assisted micro-beam etching system for 3D microanalysis was designed. Using chemically assisted ion beam etching (CAIBE) method with FIB shave-off scanning, about several hundred micrometers clean cross-section will be acquired in a few hours. We use focused ion beam (FIB) and electron beam (EB) as micro-beams, halogen or halide mainly as reactive gases. The apparatus was manufactured based on this concept. We found that the FIB, Q-MS and SED worked as expected. The instrumentation has been completed.

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 ...

UK PubMed Central (United Kingdom)

BackgroundHepatitis B (HBV) and C (HCV) infections are a serious global and national public health problem. Earlier studies have reported increasing rates of hepatitis infection...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundCurrently used indicators of iron status have limitations. Hepcidin, a key regulator of iron metabolism, is reduced in iron deficiency. We sought to determine the properties...Full Text Available

UK PubMed Central (United Kingdom)

Successful implementation of bone marrow transplantation for hematopoietic reconstitution is limited by the lack of suitably HLA-matched donors and by the occurrence of graft-versus-host disease that...Full Text Available

UK PubMed Central (United Kingdom)

The long-term goal of nuclear transfer or alternative reprogramming approaches is to create patient-specific donor cells for transplantation therapy, avoiding immunorejection, a major complication in...Full Text Available

UK PubMed Central (United Kingdom)

The principal cause of primary non-function in orthotopic liver transplantation is thought to be preservation injury to the microvasculature. We, therefore, evaluated if effluent levels of hyaluronate,...Full Text Available

Wastenet

...Goods: promote the protection of ldquo;natural parks and reserves, mangroves, reefs and lagoons,rdquo; and ldquo;expanding forest cover and tree integration with agricultural production systems rdquo;; climate change will be reduced through the trading of pollution permits under the Kyoto Protocol. Enhancing Disaster Management Capabilities:...

UK PubMed Central (United Kingdom)

PurposeOcular surface disease following penetrating keratoplasty has been shown to increase patient morbidity and adversely affect graft survival. Five cases of dense central subepithelial...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

We have demonstrated in this work (1) that methane is readily activated at mild conditions (100{degree}C, 1 torr) over a relatively noble metal, Pd. This was observed using a stepped and kinked Pd(679) crystal (1), and other crystal faces are now being investigated to establish whether the cracking of the C-H bond of methane on Pd is structure sensitive or structure insensitive. Oxygen chemisorption is extremely structure sensitive: weakly bonded, highly reactive oxygen overlayers form on Pd(100) surface (2), while strongly bonded, moderately reactive oxygen overlayers form on Pd(111) and Pd(679). Reaction of the weakly bonded oxygen with surface carbide gives rise to CO{sub 2} over clean Pd(100) but to CO over halogen-doped Pd(100) (3--5). The effect of halogens is primarily ensemble-controlling, or oxygen-supply restricting, but long range influence of surface Cl on the strength of the Pd-O bond has also been observed (3). Because the overall ...

Energy Technology Data Exchange (ETDEWEB)

It has been discovered that when Taiheiyo coal pulverized to 200 mesh or smaller is dispersed in naphthalene, a non-hydrogen-donor solvent, and reacted under hydrogen pressure in the presence of a red mud/sulfur catalyst, the catalyst exhibits activity in the regeneration of hydrogen donor solvents which have been hydrogen-depleted in the course of coal liquefaction. It is already known that inorganic matter contained in coal acts as a catalyst in liquefaction. This suggests that the reported effect of the red mud/sulfur catalyst is due to the iron oxide reacting with the sulfur and forming pyrrhotite. 22 refs., 6 figs., 1 tab.

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

British Library Electronic Table of Contents (United Kingdom)

The interaction between molecules and solid surfaces plays important roles in various applications, including catalysis, sensors, nanoelectronics, and solar cells. Surprisingly, a full understanding of molecule-surface interaction at the quantum mechanical level has not been achieved even for very simple molecules, such as water. In this mini-review, we report recent progresses and current status of studies on interaction between representative molecules and surfaces. Taking water/metal, DNA bases/carbon nanotube, and organic dye molecule/oxide as examples, we focus on the understanding on the microstructure, electronic property, and electron-ion dynamics involved in these systems obtained from first-principles quantum mechanical calculations. We find that a quantum mechanical description ...

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. Possible mechanisms of the MDD decay are ...

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 ...

Energy Technology Data Exchange (ETDEWEB)

Semiconducting properties of passive films formed on AISI 304 stainless steel grade were investigated by capacitances measurements in chloride containing aqueous solutions for different surface finishes: BA (bright annealing in hydrogen containing atmospheres) and 2B (standard annealing in oxidising atmospheres followed by pickling in acid, then water rinsing). Mott-Schottky analysis shows that for high enough electrode potential, and whatever the surface finish, the films behave like n-type semiconductors. 2B passive film appears to be more donor-doped than BA one and the density of donor states increases with chloride concentration. The electron donor levels are assumed to be generated by negatively charged cations vacancies produced by the chloride ions reaction with the outer passive film. This reaction looks easier for 2B than BA condition, which explains why BA resists better than 2B to pit nucleation.

British Library Electronic Table of Contents (United Kingdom)

BACKGROUND: Since the identification of xenotropic murine leukemia virus-related virus (XMRV) in prostate cancer patients in 2006 and in chronic fatigue syndrome patients in 2009, conflicting findings have been reported regarding its etiologic role in human diseases and prevalence in general populations. In this study, we screened both plasma and peripheral blood mononuclear cells (PBMNCs) collected in Africa from blood donors and human immunodeficiency virus Type 1 (HIV-1)-infected individuals to gain evidence of XMRV infection in this geographic region. STUDY DESIGN AND METHODS: A total of 199 plasma samples, 19 PBMNC samples, and 50 culture supernatants from PBMNCs of blood donors from Cameroon found to be infected with HIV-1 and HIV-1 patients from Uganda were screened for XMRV infecti...

International Nuclear Information System (INIS)

Lead is known to enter substitutionally in divalent state when doped in alkali halides. When irradiated at room temperature these lead centers (Pb"+"+) act as traps for electrons knocked off from the halogen ions and become Pb"+ and Pb"0 (for large doses of irradiation). These changes could be followed in the optical absorption studies. These lead-doped crystals after X-ray irradiation yield a thermoluminescence output smaller than that observed in 'pure' crystals. However, two new glow peaks are observed in additions to those due to F-centers. In KCl : Pb and Kbr : Pb crystals part of the F-center glow preceds the new glow peaks. The new peaks are attributed to the Pb"+ and Pb"0 centers. The glow peak temperatures and trap depths for these peaks an obtained by total-curve fitting method are reported. (author).

British Library Electronic Table of Contents (United Kingdom)

Biopharmaceutical R&D complexes are major emission sources of volatile organic compounds (VOCs), which may pose potential health risks for staff on site and residents nearby. In this paper health risk assessments were performed for the VOCs in the ambient air of a typical biopharmaceutical R&D complex in China. Results showed halogenated and alkyl compounds were dominant components among 24 major VOCs from 9 selected sampling sites, inside or around the complex. The principal component analysis (PCA) indicated VOCs were generated predominantly from the biopharmaceutical research activities (factor 1 (F1), 71.6%) and traffic vehicles (factor 2 (F2), 15.4%), which were confirmed by contour maps of five selected VOCs (benzene, toluene, chlorobenzene, methylene chloride and n-hexane) simulated...

Energy Technology Data Exchange (ETDEWEB)

Problems relating to electromagnetic compatibility and power quality were discussed, combined with a discussion of the role that consulting engineers can play in resolving them. The need for the consulting engineer to be aware of design specifications of equipment was considered essential. Similarly, the interrelationship between installations using variable speed drives, halogenous lighting systems, capacitor banks, high-voltage power lines, power transformers, etc., and the need for familiarity with the operating characteristics of different types of power systems were stressed as key ingredients to success in ascertaining events and causes of equipment failure or power system problems on the network. The main sources of disturbances, impact of voltage variations, the importance of controlling voltage imbalance, and system protection were summarized. 4 figs.

British Library Electronic Table of Contents (United Kingdom)

In this article, we present our consistent efforts to explore the dynamical pathways of the migration of electronic radiation by using ultrafast (picosecond/femtosecond time scales) F?rster resonance energy transfer (FRET) technique. The ultrafast non-radiative energy migration from an intrinsic donor fluorophore (Tryptophan, Trp214) present in domain IIA of a transporter protein human serum albumin (HSA) to various non-covalently/covalently attached organic/inorganic chromophores including photoporphyrin IX (PPIX), polyoxovanadate [V15As6O42(H2O)]-6 clusters (denoted as V15) and CdS quantum dots (QDs) has been explored. We have also used other covalently/non-covalently attached extrinsic fluorogenic donors (NPA, ANS) in order to exploit the dynamics of resonance energy migration of an enz...

Science.gov (United States)

Some acylhydrazine derived ONO donor Schiff bases and their Co(II) and Ni(II) complexes have been prepared having the same metal ion (cation) but different anions. These synthesized metal(II) complexes have been characterized on the basis of their elemental analyses, magnetic moment, molar conductance, and IR and electronic spectral data. All of the Schiff base ligands function as tridentates and the deprotonated enolic form is preferred for coordination. In order to evaluate the effect of anions on the bactericidal activity, these synthesized complexes, in comparison to the uncomplexed Schiff bases have been screened against bacterial species., Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa and the results are reported. PMID:18475936

International Nuclear Information System (INIS)

Moss-Schottky plots and photoelectrochemical measurements were made on films formed at different potentials on AISI 304 stainless steel in a borate/boric acid solution, pH 9.2. The results allowed the determination of the semiconductive properties and band structure of the films, which account for the existence of two kinds of films depending on the formation potential. For potentials below 0 V (SCE), the results point out for a film with an inverse spinel structure constituted by Cr-substituted magnetite with two donor levels. Above 0 V only one donor level is detected, which should be Fe"2 "+ on tetrahedral sites.

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The passive films formed on 316L stainless steel in various NaCl solutions have been investigated by capacitance measurements (Mott-Schottky). Pitting parameters have been determined using the galvano-kinetic polarisation method. The obtained results reveal the existence of a shallow and a deep donor level localised in the band gap of the semiconducting oxide film. These energy levels are due to iron ions in the tetrahedral and octahedral positions. It also appears that the participation of the deep donor level effects the electric field. The study developed allows us to compare characteristic parameters of the electronic structure of the passive film to those related to pitting susceptibility. (authors) 25 refs.

Energy Technology Data Exchange (ETDEWEB)

A detailed comparison of the softness of gold and silver has been reported in the light of hard soft acid base (HSAB) principle. Gold and silver nanoparticles in organic media (i.e., organosol) have been exploited individually to establish the principle. Sulfur and nitrogen were employed as soft and borderline donating atoms to examine the metal-ligand interactions. In this regard, thiols and amines have been considered as interacting ligands with sulfur and nitrogen donor atoms respectively. The stronger affinity of gold towards softer sulfur donor as compared to nitrogen and conversely a reasonable interaction of silver nanoparticles with both the atoms authenticate the softer nature of gold nanoparticle as compared to silver one.

British Library Electronic Table of Contents (United Kingdom)

Within the framework of the effective-mass approximation, using a variational method, we have calculated the effect of intense laser radiation on the binding energy of the shallow-donor impurities in a Ga1- x In x N y As1- y /GaAs single quantum well for different nitrogen and indium mole concentrations. Our numerical results show that the binding energy strongly depends on the laser intensity and frequency (via the laser dressing parameter) and it also depends on the nitrogen and indium concentrations. Impurity binding energy under intense laser fields can be tuned by changing the nitrogen and indium mole fraction.

British Library Electronic Table of Contents (United Kingdom)

We consider the evolution of binary systems formed by a Supermassive Black Hole (SMBH) residing in the center of a galaxy or a globular cluster and a star in its immediate vicinity. The star is assumed to fill its Roche lobe, and the SMBH accretes primarily the matter of this star. The evolution of such a system is mainly determined by the same processes as for an ordinary binary. The main differences are that the donor star is irradiated by hard radiation emitted during accretion onto the SMBH; in a detached system, nearly all the donor wind is captured by the black hole, which strongly affects the evolution of the semi-major axis; it is not possible for companions of the most massive SMBHs to fill their Roche lobes, since the corresponding orbital separations are smaller than the radius ...

International Nuclear Information System (INIS)

The dependence of the carrier concentrations, of the resistivity and of the Hall coefficient of irradiated silicon on the neutron fluences has been investigated, starting from the supposition that the main phenomena induced by irradiation in the semiconductor bulk are shallow-donor removal and deep-centres creation. The free parameters of the model are initial doping of the starting material, the permitted energy level values of the radiation-induced centres in the semiconductor band gap and their introduction rates. The influence of each parameter on the calculated dependences is studied in detail, for three cases: one deep acceptor-like centre, two deep acceptors and one deep acceptor plus one deep donor-like centre. each of the three cases is discussed in correspondence with different experimental results.

Energy Technology Data Exchange (ETDEWEB)

The investigation of interfaces between thin organic films and metal surfaces is a field of highest interest because it represents the basis for future applications of organic electronic devices. In this context, phtalocyanines are of particular interest since repulsive intermolecular interaction was found recently for this group of organic molecules. Tin(II)-phtalocyanine (SnPc) is non-planar and can adsorb in two different geometries: with the Sn atom pointing downwards (Sn down) or upwards (Sn up). In our group different Pc molecules have previously been studied using several experimental techniques like SPA-LEED or XSW. Here we present STM studies of SnPc on Ag(111), taken at different coverages and temperatures, and discuss the results in the context of our previous findings. At low coverages the formation of chains can be observed for Sn down molecules while Sn up molecules tend to stay separated. ...

International Nuclear Information System (INIS)

Atoms in very high Rydberg states, 100 approx-lt n approx-lt 1100, are used to investigate electron-molecule interactions at electron energies extending down to a few microelectronvolts. At such energies the cross section for electron capture by CCl_4 is observed to vary inversely with electron velocity, indicative of an s-wave process. Studies with the polar target CH_3Cl suggest that dipole-supported states may be important in inelastic electron-polar molecule scattering at very low electron energies.

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)

We report on the effect of potato maltodextrins with variable dextrose equivalent (Paselli SA-2, SA-6 and SA-10) on the surface behavior at the air-water interface of the mixture: legumin+small-molecule surfactant. Distinct in nature small-molecule surfactants (model: sodium salt of capric acid, Na-caprate; and commercially important: a citric acid ester of monoglyceride, CITREM) have been under our consideration. The role of the structure of both of the maltodextrins and the small-molecule surfactants in the effect studied has been elucidated by measurements in a bulk aqueous medium of the enthalpy of their interaction from mixing calorimetry, value of weight average molecular weight of the maltodextrins and the thermodynamics of the pair maltodextrin-solvent and maltodextrin-protein interactions from laser static light scattering. The combined data of mixing calorimetry and light scattering suggest some complex formation ...

Science.gov (United States)

Kinetic reaction mechanisms have a hierarchical smacture with mechanisms for complex fuels built up on sub-mechanisms for simple fuel molecules ...

UK PubMed Central (United Kingdom)

Diverse cell polarity networks require positive feedback for locally amplifying distributions of signalling molecules at the plasma membrane1. Additional...Full Text Available

Wastenet

... Here we will summarize the synthesis, structure activity relationships , and molecular sites of action of mGluR5 PAMs. We will also review preclinical studies ...

UK PubMed Central (United Kingdom)

Gangliosides are amphiphilic molecules found in the outer layer of plasma membranes of all vertebrate...Full Text Available

International Nuclear Information System (INIS)

Anthracene-bis-resorcinol is an interesting molecule as it forms a hydrogen-bonded network when guest molecules with weak polarity are included. Focused ion beam (FIB) was irradiated on a part of its amorphous film with low dose, and the film was exposed to the vapor of guest molecules. From fluorescence and AFM analyses of this film, it was found that no inclusion compound was formed in FIB irradiated area, i.e. FIB irradiation suppresses the ability to form the inclusion compounds. By utilizing this phenomenon, we succeeded in a microfabrication of relief structures consisting of inclusion compounds which has different fluorescence from its surrounding. Morphology, fluorescence, and IR absorption analyses indicated that hydroxyl or resorcin groups are damaged by ion beams, and consequently a formation of hydrogen-bonded networks, which play a role of a lattice caging guest molecules, becomes ...

DEFF Research Database (Denmark)

Rabbit antisera raised to human and chicken MHC molecules were used to immunoprecipitate cross-reactive molecules from biosynthetically and cell surface-labeled spleen and/or blood cells of representative vertebrate species. Five major points emerged: 1) There were many nonspecific cross-reactions using these techniques, so various criteria were developed to distinguish these from true MHC-like molecules. 2) Only very small subpopulations of immunogen-specific antibodies cross-reacted with MHC-like molecules in other nonmammalian species. These subpopulations were different for each species and even within a species, sometimes being so limited as to behave like alloantisera. This led to a very scattered pattern of true cross-reactions that sometimes failed to reflect the properties of the bulk antibody population. 3) Antisera containing antibodies to class II beta- and class I alpha-chains cross-reacted ...

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.

International Nuclear Information System (INIS)

24 isotopes of astatine element 85, are known today, three of which occur naturally as decay products of "2"1"5U and "2"5"8U, respectively. Because these isotopes being very short-lived, all experiments dealing with this heaviest element of the halogen group need be done with "2"0"9"-"2"1"1At, having half-lifes in the several hours region. Mixtures of them may be obtained either by #alpha#-bombardment (E#alpha# approximately 30-50 MeV) of "2"0"9Bi or as spallation products by the reaction of high-energy protons with thorium and uranium targets. - In its chemical reactions astatine shows a behaviour which is between an halogen and a metal. The following oxidation states have been shown to exist: -1, 0, +1, +5 and +7. At"-, AtO_2"- and AtO_4"- are the ionic species for At(-I), At(+V) and At(+VII) whereas no definite species have been established for the other oxidation states. Furthermore, At_2 could not be shown to exist as yet in contrast to ...

UK PubMed Central (United Kingdom)

Gastrin and its carboxyl-terminal homolog cholecystokinin (CCK) exert a variety of biological actions in the brain and gastrointestinal tract that are mediated in part through one or more G protein-coupled...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

This book contains 49 chapters. Some of the titles are: Molecular, Genetic, and Clinical Aspects of the HLA System; The Normal Immune Response; Significance of the ABO Antigen System; The Role of Dialysis in the Management of End-Stage Renal Disease; Access for Dialysis; Patient Selection for Renal Transplantation; The Living Donor in Kidney Transplantation; and Kidney Preservation by Cold Storage.

Energy Technology Data Exchange (ETDEWEB)

Dianionic tridentate, O, N, S, Schiff bases derived from salicylaldehyde and 2-mercapto-amines react with Tc(V) gluconate to form radiochemically pure neutral Tc chelates. The existence of lipophilic Tc complexes could be proved by high voltage electrophoresis, thin layer chromatography and octanol/water partition coefficients. 11 refs.

UK PubMed Central (United Kingdom)

This study evaluates the frequency and functions of immunocompetent T cells at the clonal level in solid human lung tissue versus peripheral blood. Enzymatic digestion of slices of histologically normal...Full Text Available

International Nuclear Information System (INIS)

The study by impedance and photoelectrochemical measurements of passive films formed on an AISI 304 type stainless steel shows that important parameters of the electronic structure of these films are modified under #alpha# irradiation, namely: width of the space charge region, donors concentration and diffusion length for minority carriers. The consequences of #alpha# irradiation on localized corrosion processes are discussed.

UK PubMed Central (United Kingdom)

Seventy male Wistar rats were the recipients of labeled small lymphocytes (1.5 X 10(7) each) collected from the peripheral blood of syngeneic donors. The migrating labeled lymphocytes were traced in...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

This study had two objectives: (1) To enhance the fundamental understanding of observed differences in the short contact time, donor solvent liquefaction of bituminous and subbituminous coals. (2) To determine if physical refining of subbituminous coals could be used to give a better feedstock for the first stage of two-stage liquefaction processes. Liquefaction studies using microautoclaves were carried out. Results are discussed. 11 refs., 25 figs., 29 tabs.

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.

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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.

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)

Palladium/magnetite nanoparticulate catalysts were developed for efficient elimination of halogenated organic pollutants from contaminated wastewater. Particle recovery from treated water can be ensured via magnetic separation. However, in worst-case scenarios, this catalyst removal step might fail, leading to particle release into the environment. Therefore, a toxicological study was conducted to investigate the impact of both pure magnetite and palladium/magnetite nanoparticle exposure upon human skin (HaCaT) and human colon (CaCo-2) cell lines and a cell line from rainbow trout gills (RTgill-W1). To quantify cell viability after particle exposure, three endpoints were examined for all tested cell lines. Additionally, the formation of reactive oxygen species was studied for the human cells. The results showed only minor effects of the particles on the tested cell systems and support the assumption that palladium/magnetite nano-catalysts can be implemented for a ...

Energy Technology Data Exchange (ETDEWEB)

Three abiotic systems are described that catalyze the reductive dehalogenation of heavily halogenated environmental pollutants, including carbon tetrachloride, trichloroethene, and perchloroethene. These systems include (a) an electrolytic reactor in which the potential on the working electrode (cathode) is fixed by using a potentiostat, (b) a light-driven system consisting of a semiconductor and (covalently attached) macrocycle that can accept light transmitted via an optical fiber, and a light-driven, two-solvent (isopropanol/acetone) system that promotes dehalogenation reactions via an unknown mechanism. Each is capable of accelerating reductive dehalogenation reactions to very high rates under laboratory conditions. Typically, millimolar concentrations of aqueous-phase targets can be dehalogenated in minutes to hours. The description of each system includes the elements of reaction mechanism (to the extent known), typical kinetic data, and a discussion of the ...

Energy Technology Data Exchange (ETDEWEB)

A time-of-flight mass spectrometer has been constructed to measure the energy spectra of particles scattered by 10/sup 0/ with primary energies between 200 eV and 15 keV. The energy resolution ..delta..E/E of the system is between 0.1 and 0.4%. Energy spectra of scattered molecules and their dissociation products are shown for 570 eV H/sub 2//sup +/ and 4430 eV N/sub 2//sup +/ as projectiles. Electron capture into unbound states of the neutral molecule, with perhaps some contribution from mutual scattering within the molecule, appears to explain the observed dissociation product energy spectra peak widths.

British Library Electronic Table of Contents (United Kingdom)

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).

Science.gov (United States)

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.

British Library Electronic Table of Contents (United Kingdom)

We investigate quantum mechanical electron transport along the long axis of the DNA molecule using an effective tight-binding model. The overall contour plot of transmission, the current-voltage characteristics, and the differential conductance are examined for the variation of backbone onsite energy, the energy-dependent hopping strength, and the contact coupling between the leads and the DNA molecule. It is shown that as backbone asymmetry increases, the merging and collapse of the two mini-bands take place and an extra resonance peak in the transmission appears. In addition, we present the modulation of voltage threshold in the current-voltage curves and a double-peak structure in the differential conductance due to the disappearance of the merged mini-band. Finally, in the Coulomb bloc...

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A classical model is presented for magnetic field-induced Wigner crystallization in electron systems confined within two-dimensional quantum dots. In contrast to other classical models, this one does not treat an electron as a point charge; the electron density is assumed to take a Gaussian form corresponding to the lowest Landau level. Using a Monte Carlo method we have determined the equilibrium configurations as functions of the magnetic field. We have found a classical counterpart of the quantum maximum density droplet (MDD) and studied the breakdown of the MDD into a Wigner molecule as well as the transformations of the Wigner molecule shape induced by the external magnetic field. The phase diagram for the classical Wigner molecules has been presented and its qualitative agreement with previous quantum mechanical calculations has been shown.

International Nuclear Information System (INIS)

The influence of small amounts of alloying elements (0.36% Cu and 0.47% Cr) on the semiconducting properties of passive films formed on weathering steels was investigated either in tetraborate/boric acid buffer solution (pH 9.2) or artificial atmospheric environment (SO_2-containing environment). The electrochemical behaviour was assessed by potentiodynamic polarisation, capacitance measurements and photoelectrochemistry. The chemical characterisation of the films was carried by Auger electron spectroscopy. The polarization results obtained in the buffer solution show that the addition of chromium decreases the passive current density. The capacitance results show that the films behave as an n-type semiconductor with shallow and deep donor levels situated in the forbidden gap. The presence of copper seems to affect the density of the shallow and of the deep donor levels in the forbidden gap, and as chromium, it also decreases the doping density ...

British Library Electronic Table of Contents (United Kingdom)

Reaction between [V^I^VO(acac)2] and the ONN donor Schiff base Hpydx-aepy (I) (Hpydx-aepy=Schiff base obtained by the condensation of pyridoxal and 2-aminoethylpyridine) resulted in the formation of a complex [V^I^VO(acac)(pydx-aepy)] (1). Addition of aqueous 30% H2O2 to 1 yields the poor stable oxidoperoxidovanadium(V) complex [V^VO(O2)(pydx-aepy)] (2). Its formation has also been demonstrated in solution by treating 1 with H2O2 in methanol. Reaction of vanadium exchanged zeolite-Y with I in methanol followed by aerial oxidation gave zeolite-Y encapsulated dioxidovanadium(V) complex, abbreviated as [V^VO2(pydx-aepy)]-Y (4). The crystal and molecular structure of 1 has been determined, confirming the ONN binding mode of the ligand. The encapsulated complex [V^VO2(pydx-aepy)]-Y (4) catalyse...

British Library Electronic Table of Contents (United Kingdom)

New Schiff base derivatives (L1 and L2) were prepared by the condensation of 2-hydroxy-3-methoxybenzaldehyde (o-vanillin) and 3-hydroxy-4-methoxybenzaldehyde (iso-vanillin) with 5-methylfurfurylamine. Two new complexes [Ni(L1)2] and [Cu(L1)2] have been synthesized with bidentate NO donor Schiff base ligand (L1). The Ni(II) and Cu(II) atoms in each complex are four coordinated in a square planar geometry. Schiff bases (L1 and L2) and complexes [Ni(L1)2] and [Cu(L1)2] were characterized by elemental analyses, FT-IR, UV-vis, mass and 1H, 13C NMR spectroscopies. The crystal structures of the ligand (L2) and complexes [Ni(L1)2] and [Cu(L1)2] have also been determined by using X-ray crystallographic technique.

Energy Technology Data Exchange (ETDEWEB)

Research and development has been performed on photochromic materials expected to be used in ultra-high density recording, high resolution indication and photoswitches. With regard to molecular orientation in the ternary system mixed LB film, the result of structural analysis by XPM spectrum revealed that the acceptor constituent in the LB film is so structured that it is separated and laminated with two other constituents, and that the sensitizer constituent and the donor constituent are not recognized of being separated definitely. Regarding the electron movement reaction in the solid phase system, a photo-current measuring experiment was carried out on the laminated film which is vacuum-deposited with the ternary system comprising of the donor, sensitizer, and acceptor. It was concluded that the observed photo-current reflects the electron movement reaction in the solid phase as it is. For the photo-current in the LB film, increase in the ...

British Library Electronic Table of Contents (United Kingdom)

Lytic activity and recovery of natural killer (NK) cells was monitored in pediatric patients with leukemias (ALL, AML, CML, JMML) and myelodysplastic syndromes after transplantation of T cell depleted stem cells from matched unrelated (n = 18) and mismatched related (haploidentical, n = 29) donors. CD34 + selection with magnetic microbeads resulted in 8 x 10^3/kg residual T cells. No post-transplant immune suppression was given. NK cells recovered rapidly after transplantation (300 CD56+/@mL at day 30, median), whereas T cell recovery was delayed (median: 12 CD3+/@mL at day 90). NK activity was measured as specific lysis of K 562 targets several times (mean: 3 assays per patient). Four temporal patterns of lytic activity could be differentiated: consistently low, consistently high, decreas...

International Nuclear Information System (INIS)

New oxomolybdenum(V) complexes MoOClL (where LH_2 = Schiff base) derived from ethanolamine and salicylaldehyde, 5-chlorosalicylaldehyde, 5-bromosalicylaldehyde, 5-nitrosalicylaldehyde, 3-ethoxysalicylaldehyde and 2-hydroxy-1-naphthaldehyde have been synthesized and characterised by elemental analyses, conductance, molecular weight, i.r. and electronic spectra and magnetic measurements. The Schiff bases behave as dibasic tridentate ONO donor ligands. The complexes are non-electrolytes and dimers. The complexes exhibit subnormal magnetic moments and are involved in antiferromagnetic exchange with S = 0 ground state. The complexes exhibit electronic spectral bands at ca. 13000 and ca. 17000 cm"-"1 due to the transitions dsub(xy)->dsub(xz,yz) ("2B_2->"2E) and dsub(xy)->dsub(x2-y2) ("2B_2->"2B_1), respectively. The #nu#(Mo=O) frequency of the complexes is observed in the 900-970 cm"-"1 region. On the basis of the magnetic susceptibility, i.r. and molecular ...

Science.gov (United States)

Photorefractives, in general, are among the most promising materials solutions to real time optical correlation. Applications include military target recognition and civilian robotic vision. Crystals of sillenite structure photorefractives, Bi12XO20, where X equals Si, Ge, or Ti, have been grown by melt techniques and in the case of bismuth silicon oxide (BSO) and bismuth titanium oxide (BTO) by the hydrothermal method of high-temperature/high-pressure solution growth. The two growth methods are discussed and crystals grown by the two methods are compared in this paper. Optical absorption and TSC studies show that hydrothermal BSO is essentially free of the native antisite Bi defect which usually acts as a donor. These studies also show that the trap density is greatly reduced in hydrothermal material. Preliminary experiments show that hydrothermal BTO crystals have improved properties over melt grown samples. Al and P act as donors and ...

Energy Technology Data Exchange (ETDEWEB)

High-purity and doped GaAs films have been grown by Liquid-phase epitaxy (LPE) for development of a blocked impurity band (BIB) detector for far-infrared radiation. The film growth process developed has resulted in the capability to grow GaAs with a net active impurity concentration below 1 x 10{sup 13} cm{sup -3}, ideal for the blocking layer of the BIB detector. The growth of n-type LPE GaAs films with donor concentrations below the metal-insulator transition, as required for the absorbing layer of a BIB detector, has been achieved. The control of the donor concentration, however, was found to be insufficient for detector production. The growth by LPE of a high-purity film onto a commercially grown vapor-phase epitaxial (VPE) n-type GaAs doped absorbing layer resulted in a BIB device that showed a significant reduction in the low-temperature dark current compared to the absorbing layer only. Extended optical response was not detected, most ...

Science.gov (United States)

This paper explores how an aid-funded Ph.D.-programme in mathematics education instituted in some Southern African Development Community countries measures up to issues related to research capacity development projects. The research capacity development programme is described and reflected against mutual benefit, relevance, sustainability and prioritization of the location of project funding expenditure--some of the constructs in the discourse on research capacity development initiatives. It is found that the benefits of the programme are indeed mutual; the outcomes regarding relevance and sustainability are more uncertain and the location of expenditure of the funding is not overtly in favour of the donor country.

Energy Technology Data Exchange (ETDEWEB)

Liberalisation of the power sector is on the increase on a global scale. Corporate-driven reforms are portrayed by international financial institutions and multilateral development banks as means of improving efficiency and attracting foreign investment for national economic growth. Most countries across the world are taking steps towards liberalisation, often to meet the conditions imposed by international donors or comply with regional or global trade agreements. This first issue of Power and Society attempts to look beyond the promised benefits of this trend and debunk some myths about privatisation and deregulation of the electricity sector.

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A study was made on complex formation of thiosemicarbazide diacetic acid (H/sub 2/L) with neodymium (3), holmium (3) and erbium (3) in solutions and formation of complexes of metal: ligand=4:1 composition was revealed. Synthesis conditions were developed and products of LnLClxnH/sub 2/O, LnLOHxnH/sub 2/O, Na(LnL/sub 2/)xnH/sub 2/O composition were separated in crystalline state. It was shown, that H/sub 2/L behaves in these compounds as tripod ligand with O, O, N, N donor atoms.

International Nuclear Information System (INIS)

The rapid circularization and synchronization of the stellar components in an eccentric binary system at the onset of Roche lobe overflow is a fundamental assumption common to all binary stellar evolution and population synthesis codes, even though the validity of this assumption is questionable both theoretically and observationally. Here we calculate the evolution of the orbital elements of an eccentric binary through the direct three-body integration of a massive particle ejected through the inner Lagrangian point of the donor star at periastron. The trajectory of this particle leads to three possible outcomes: direct accretion onto the companion star within a single orbit, self-accretion back onto the donor star within a single orbit, or a quasi-periodic orbit around the companion star, possibly leading to the formation of a disk. We calculate the secular evolution of the binary orbit in the first two cases and conclude that direct impact ...

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

UK PubMed Central (United Kingdom)

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

UK PubMed Central (United Kingdom)

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)

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.

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 and the aqueous solutions of the surfactants subsequently exhibit loss of all surface-active behavior.

International Nuclear Information System (INIS)

Recent developments in the analysis of Mira atmosphere, the determination of the pulsation mode, the problem of mass loss, and the evolution of the Mira variables are covered. Model atmospheres for Mira variables, including the opacities of the molecules expected in very late M-type atmospheres are discussed. The pulsation constant for Omicron Ceti is evaluated using T(eff) = 2900 + or - 200 K, and it is concluded that Miras are fundamental mode pulsators. The importance of molecular opacity to the driving of mass loss is evaluated, and it is pointed out that the radiation pressure on molecules is not a major factor in driving mass loss from Mira. Mass loss is considered as a factor in the calculations of the periods for Mira variables. 30 refs.

Energy Technology Data Exchange (ETDEWEB)

We present recent results obtained in the Toulouse's group that deal with proton to base and nucleoside interactions. We stress the weakness of the sugar part in the nucleoside, i.e. the uridine molecule under scrutiny. Since some parts of the fragmentation spectrum correspond to the fragmentation of a 'pure' uracil molecule, i.e. the RNA base, an 'additivity rule' seems to prevail for the nucleoside, something that still has to be confirmed. Moreover, some results that deal with the secondary electronic emission from uracil are also displayed.

British Library Electronic Table of Contents (United Kingdom)

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.

British Library Electronic Table of Contents (United Kingdom)

Resonant scattering of atoms with formation of the Feshbach resonance in the presence of a laser radiation coupling the levels of two bound atoms (a molecule) is considered. The laser field leads to a second resonance in scattering and broadening of resonances, which facilitates the possibility of experimental observation of asymmetry of the total scattering cross-section arising because of interference between resonant and potential scatterings. The effects associated with interference of the two channels of decay of a bound system of two atoms (a molecule) in the laser field are studied. An expression is obtained for the scattering length in collision of two cold atoms in the field of laser radiation.

Energy Technology Data Exchange (ETDEWEB)

The crystal and molecular structures of the anti-acquired immunodeficiency syndrome agent 3'-azido-3'-deoxythymidine (AZT) have been determined by x-ray diffraction. There are two crystallographically independent AZT molecules in the crystal asymmetric unit; they have similar conformation and differ primarily in the glycosyl torsion angle. Comparisons with a hydrated thymidylate structure indicate that the azido group does not significantly affect the gross conformational preference of the molecule. The comparisons also suggest possible functional roles for the azido group in enzyme binding.

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)

The performance of 250 different computational protocols (combinations of density functionals, basis sets and methods) was assessed on a set of 165 well-established experimental (1)H-(1)H nuclear coupling constants (J(H-H)) from 65 molecules spanning a wide range of "chemical space". Thereby we found that, if one uses core-augmented basis sets and allows for linear scaling of the raw results, calculations of only the Fermi contact term yield more accurate predictions than calculations where all four terms that contribute to J(H-H) are evaluated. It turns out that B3LYP/6-31G(d,p)u+1s is the best (and, in addition, one of the most economical) of all tested methods, yielding predictions of J(H-H) with a root-mean-square deviation from experiment of less than 0.5 Hz for our test set. Another method that does similarly well, without the need for additional 1s basis functions, is B3LYP/cc-pVTZ, which is, however, ca. 8 times more "expensive" in terms of CPU time. A ...

International Nuclear Information System (INIS)

This paper describes a reactor design to facilitate a room-temperature nuclear fusion/fission reaction to generate heat without generating unwanted neutrons, gamma rays, tritium, or other radioactive products. The room-temperature fusion/fission reaction involves the sequential triggering of billions of single-molecule, "6LiD 'fusion energy pellets' distributed in lattices of a palladium ion accumulator that also acts as a catalyst to produce the molecules of "6LiD from a solution comprising D_2O, "6LiOD with D_2 gas bubbling through it. The D_2 gas is the source of the negative deuterium ions in the "6LiD molecules. The next step is to trigger a first nuclear fusion/fission reaction of some of the "6LiD molecules, according to the well-known nuclear reaction: "6Li + D #-># 2"4He + 22.4 MeV. The highly energetic alpha particles ("4He nuclei) generated by this nuclear reaction within the palladium ...

Science.gov (United States)

The performance of intermolecular potential models on the adsorption of benzene on graphitized thermal carbon black at various temperatures is investigated. Two models contain only dispersive sites, whereas the other two models account explicitly for the dispersive and electrostatic sites. Using numerous data in the literature on benzene adsorption on graphitized thermal carbon black at various temperatures, we have found that the effect of surface mediation on interaction between adsorbed benzene molecules must be accounted for to describe correctly the adsorption isotherm as well as the isosteric heat. Among the two models with partial charges tested, the WSKS model of Wick et al. that has only six dispersive sites and three discrete partial charges is better than the very expensive all-atom model of Jorgensen and Severance. Adsorbed benzene molecules on graphitized thermal carbon black have a complex orientation with respect to distance from ...

Science.gov (United States)

B-cell Chronic Lymphocytic Leukemia; Nodal Marginal Zone B-cell Lymphoma; Recurrent Adult Burkitt Lymphoma; Recurrent Adult Diffuse Large Cell Lymphoma; Recurrent Adult Diffuse Mixed Cell Lymphoma; Recurrent Adult Diffuse Small Cleaved Cell Lymphoma; Recurrent Adult Grade III Lymphomatoid Granulomatosis; Recurrent Adult Immunoblastic Large Cell Lymphoma; Recurrent Adult Lymphoblastic Lymphoma; Recurrent Grade 1 Follicular Lymphoma; Recurrent Grade 2 Follicular Lymphoma; Recurrent Grade 3 Follicular Lymphoma; Recurrent Mantle Cell Lymphoma; Recurrent Marginal Zone Lymphoma; Recurrent Small Lymphocytic Lymphoma; Splenic Marginal Zone Lymphoma; Waldenstrom Macroglobulinemia

Energy Technology Data Exchange (ETDEWEB)

The preparation, crystal structure, and the electrical properties of the compound (ET)/sub 3/Ag/sub x/I/sub 8/ where x = approx. 6.4 and ET is bis(ethylenedithio)tetrathiafulvalene, C/sub 10/S/sub 8/H/sub 8/, are described. The compound possesses a truly two-dimensional polymeric anion, one which combines the structural features of both an organic electronic conductor and an inorganic solid electrolyte. The crystal structure consists of alternating anion and cation donor layers. The compound exhibits high electronic conductivity dominated by the electronic contribution, at least near room temperature.

British Library Electronic Table of Contents (United Kingdom)

This paper presents a method to evaluate and improve the performance of quantum dot infrared photodetectors (QDIPs). We proposed a device model for QDIPs. The developed model accounts for the self-consistent potential distribution, features of the electron capture and transport in realistic QDIPs in dark and illumination conditions. This model taking the effect of donor charges on the spatial distribution of the electric potential in the QDIP active region. The model is used for the calculation of the dark current, photocurrent and detectivity as a function of the structural parameters such as applied voltage, doping QD density, QD layers, and temperature. It explains strong sensitivity of dark current to the density of QDs and the doping level of the active region. In order to confirm our...

British Library Electronic Table of Contents (United Kingdom)

Abstract Human mesenchymal stem cells (hMSCs) may be used for therapeutic applications. Culture conditions such as the serum source may impact on cell quality and the onset of replicative senescence. We have examined the effect of culturing hMSCs in autologous serum (AS) versus fetal bovine serum (FBS) on factors involved in in vitro replicative senescence. hMSCs from four donors were cultured in 10% FBS or 10% AS until they reached senescence. Cells were harvested at early passage and near senescence to study factors known to be involved in cellular senescence. The number of population doublings till senescence was similar for cells cultured in FBS, but varied greatly for hMSCs cultured in AS. FBS cells accumulated in S phase of cell cycle. This could not be explained by increased express...

Energy Technology Data Exchange (ETDEWEB)

The authors have studied (Al{sub x}Ga{sub 1{minus}x}){sub 0.5}In{sub 0.5}P doped with tellurium using deep level transient spectroscopy and associated electrical measurements. Several defect states are observed in the upper half of the band gap, that are believed to be intrinsic to the alloy system as well as related to the tellurium donors. Defects observed at measurement temperatures above 390 K exhibit a hysteretic behavior. The observed spectra depend on the biasing conditions applied to the Schottky diode during cooling. The hysteretic behavior suggests the existence of different defect configurations, which can be accessed under conditions of high temperatures and electrical stress, but remain stable below 300 K.

International Nuclear Information System (INIS)

New Schiff base chelating ligands were synthesized by reacting equimolar quantities of 2,3-dimethyl-4-formyl-1-phenyl-3-pyrazoline-5-one and o-anisidine, p-anisidine, m-anisidine, o-toluidine, p-toluidine, m-toluidine, 2,6-xylidine or 2,4-xylidine in ethanol medium. Their subsequent reaction with gadolinium (III) nitrate hexahydrate in 2:1 molar ratio gave complexes that were characterized by elemental analyses, molar conductances, magnetic measurements, electronic and I.R. spectral studies. All the chelates were found to be non-electrolytic in nature. (author). 15 refs., 1 fig., 1 tab.

British Library Electronic Table of Contents (United Kingdom)

The expression of motor activity levels in response to novel situations is under complex genetic and environmental control. Several genetic loci have been implicated in the regulation of this behavioral phenotype, but their relationship to epigenetic and epistatic interactions is relatively unknown. Here, we report on a quantitative trait locus (QTL) on mouse chromosome 1 for novelty-induced motor activity in the open field, using chromosome substitution strains derived from a high active host strain (C57BL/6J) and a low active donor strain (A/J). The QTL for open field (horizontal distance moved) peaked at the location of Kcnj9, however, QTL detection was initially masked by an interplay of both grandparent genetic origin and genetic co-factors influencing behavior on chromosome 1. Our fi...

International Nuclear Information System (INIS)

Passive films formed on Alloy 690 in high-temperature alkaline environments were investigated by potentiodynamic polarization, X-ray photoelectron spectroscopy, transmission electron microscopy and Mott-Schottky approach. Passive current density and donor density of the passive films increase with increasing temperature, due to increased diffusion rates of metallic ions and dehydration of hydroxide phases. The passive films show a duplex structure including an inner layer of fine-grained Cr oxide or spinel oxide and an outer layer of Ni-Fe spinel oxide and Ni hydroxide. A growth model of the passive films on Alloy 690 in high-temperature alkaline environments is proposed and discussed.

British Library Electronic Table of Contents (United Kingdom)

Despite the fact that humans are exposed to multiple forms of mercury (elemental, inorganic, and organic), most research on mercury toxicity has focused on methylmercury (MeHg) and on neurotoxic outcomes and mechanisms. Recent work has indicated that the immunotoxic effects of mercury compounds may be significant contributors to human disease as well as mechanistically relevant to other target organ toxicities. In this study, we compared the effects of inorganic Hg (iHg) to organic Hg species (MeHg and ethylmercury, EtHg) in human peripheral blood mononuclear cells (PBMCs) in vitro at sub-cytotoxic concentrations, using methods developed to characterize response of human PBMCs to iHg in vitro. PBMCs were isolated from six volunteer blood donors (three males and three females) and cultured ...

Science.gov (United States)

The U.S. Department of Energy has awarded contracts to Pittsburg and Midway Coal Mining Co. and to Southern Company to design plants for the conversion of 6000 tons/day of coal by two variations of the Solvent Refined Coal (SRC) process The Federal research effort is focused on direct liquefaction by hydrogen addition, including the SRC process; the Exxon Donor Solvent (EDS) process, for which Exxon Corp. plans to scale up technology to a 250 ton/day pilot plant; and Hydrocarbon Research Inc.'s H-Coal process, for which a 2000 bbl/day pilot plant is under construction. The roles of other companies in the coal liquefaction research are also discussed.

British Library Electronic Table of Contents (United Kingdom)

2,6-Diacetyl pyridine based ligand was synthesized by the reaction of 2,6-diacetyl pyridine with thiocarbohydrazide in presence of acetic acid. The coordination compounds with Cr(III) and Ni(II) metal ions having [Cr(L)X]X2 and [Ni(L)X]X compositions (where L=ligand and X=NO3^-, Cl^- and CH3COO^-) were synthesized and characterized by physicochemical and spectral studies. The studies like elemental analyses, molar conductance measurements, magnetic susceptibility measurements, IR, UV-Vis, NMR, mass and EPR reveal that the complexes are octahedral. The compounds were examined against the pathogenic fungal and bacterial strains like Alternaria brassicae, Aspergillus niger, Fusarium oxysporum, Xanthomonas compestris and Pseudomonas aeruginosa. A. niger causes the diseases Apergillosis and Oto...

Energy Technology Data Exchange (ETDEWEB)

Red mud has been activated by dissolution in hydrochloric acid and reprecipitation with ammonia. The activated material has been evaluated as a catalyst for the hydrogenation of naphthalene, phenanthrene and pyrene and in the hydroliquefaction of both a high and low rank coal utilizing solvents of high and low hydrogen donating ability. Activation led to a substantial increase in the ability to hydrogenate the model compounds and a significant increase in oil yield was obtained in the hydroliquefaction of a low rank coal in the presence of a poor donor solvent. However, activation did not lead to significant increases in overall yields of liquids in other cases and the activated red mud was significantly less active than a commercial nickel-molybdenum-sulphur catalyst. 27 refs., 1 fig., 5 tabs.

Science.gov (United States)

A 5 GHz GaAs monolithic astable multivibrator-type voltage-controlled oscillator has been developed. The monolithic oscillator uses 2 micron long self-aligned TiW-silicide gate MESFETs as well as GaAs Schottky diodes for capacitance. Good agreement between the experiment and calculations for oscillation frequency characteristics versus control voltage is obtained by assuming donor density in the FET active layer to be a Gaussian distribution. This oscillator is useful for monolithic front ends and phase-locked oscillators used in microwave signal processing. X-band oscillation frequency can be obtained with 1 micron long gate FET and low loss resonance inductors.

Science.gov (United States)

Our research in the general area of acid catalysis involves the characterization of solid acidity and the corresponding assessment of catalytic performance of acidic materials. Acid characterization studies are required to provide essential information about the type of acid site (i.e., Lewis versus Bronsted), the strength of the sites, and the mobility of molecules adsorbed on the acid sites. An accurate measure of acid strength is given by the heat of adsorption of a basic probe molecule on the acid site. A thermodynamic representation of the mobility of adsorbed species on these sites is given by the entropy of adsorption. Important techniques used in these acid site characterization studies include microcalorimetry, thermogravimetric measurements, temperature programmed desorption, infrared spectroscopy and solid state nuclear magnetic resonance. The combination of these acid site characterization studies with reaction kinetics measurements ...

International Nuclear Information System (INIS)

This paper reports on the superiority of zeolites over amorphous solids which is well documented for solid acid catalysts of industrial use. Crystalline supports, likewise, open attractive perspectives for catalysis by metals, alloys, and ligated metal clusters. Size and location of clusters can be controlled by careful design of the preparation conditions. Pore dimensions control the access of reactants to active sites and escape paths for products. Cage dimensions determine which transition states can be attained; window apertures are functional in isolating metal clusters from each other, thus preventing ther coalescence and growth. The ship-in-a-bottle method permits deisgn of fairly large active complexes entrapped in zeolite cages. Orientation of non-spherical molecules in a zeolite proe helps to direct their collision with a metal particle to the head on mode; however, isolated Pt atoms hidden in niches of the pore walls can attack passing ...

Energy Technology Data Exchange (ETDEWEB)

Glycosaminoglycan synthesis by two subpopulations of a mouse mammary tumor cell line was compared. The two sublines express distinctly different growth characteristics in vitro and in vivo which indicate differences in growth regulation. Newly made glycosaminoglycans were recovered from the culture media, the cell surfaces, and residual cellular material. The cell population which grows more aggressively in vivo (+SA subline, a subline that grows in soft agarose) incorporated about 8 times more (/sup 14/C)glucosamine per cell into total glycosaminoglycans than did the slower-growing population (-SA subline, which does not grow in soft agarose). Appropriate control experiments indicated that the apparent difference in rates of synthesis was not due to discrepancies in glucosamine uptake. The main residual cellular molecule labeled was heparan sulfate, but the predominant molecule at the cell surface and in the culture fluid was hyaluronic acid. ...

International Nuclear Information System (INIS)

Using stoichiometrically controlled 1:1 functionalization of gold nanoparticles with fluorescent dye molecules in which the dye molecule is held away from the particle surface by a rigid DNA spacer allows precise determination of the distance-dependent effect of the metal nanoparticles on fluorescence intensity. Two dyes were studied, Cy3 and Cy5, with two sizes of nanoparticles, 5 and 10 nm. The larger the particle, the more quenching of the photoluminescence (PL) intensity, due to increased overlap of the dye's emission spectrum with the Au surface plasmon resonance. Fluorescence is quenched significantly for distances somewhat larger than the particle diameter, in good agreement with the predictions of an electrodynamics model based on interacting dipoles. The distance dependence of surface energy transfer behavior, i.e. quenching efficiency, is proportional to 1/d4, which involves no consideration of the size of the particle and the ...

Science.gov (United States)

The ability to feed on vertebrate blood has evolved many times in various arthropod clades. Each time this trait evolves, novel solutions to the problem posed by vertebrate hemostasis are generated. Consequently, saliva of blood-feeding arthropods has proven to be a rich source of antihemostatic molecules. Vasodilators include nitrophorins (nitric oxide storage and transport heme proteins), a variety of peptides that mimic endogenous vasodilatory neuropeptides, and proteins that catabolize or sequester endogenous vasoconstrictors. A variety of platelet aggregation inhibitors antagonize platelet responses to wound-generated signals, including ADP, thrombin, and collagen. Anticoagulants disrupt elements of both the intrinsic and extrinsic pathways. Molecular approaches (termed 'sialomics') to characterize the full inventory of mRNAs transcribed in salivary glands have revealed a surprising level of complexity within a single species. Multiple salivary proteins may be ...

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

In this study, the experimental and theoretical study on the structures and vibrations of 2 and 3-methylpiperidine are presented. The FT-IR spectra of molecules have been recorded between 4000-400 cm-1 region. The molecular geometry and vibrational frequencies of 2 and 3-methylpiperidine in the ground state have been calculated by using Density Functional method (B3LYP) with cc-pVQZ, 6-311++G(d,p) and 6-311G(d,p) as basis sets. The total energy distributions TED among the symmetry coordinates of the normal modes have computed for the the low energy structure of the molecule. Complete vibrational assingments have provided on the basis of the calculated TED values.

Energy Technology Data Exchange (ETDEWEB)

In virtually all forms of life on earth, proteins in each cell are made according to a genetic blueprint, in the form of DNA. The translation of copies of this genetic blueprint (in the form of messenger RNA) into polypeptides is performed on the ribosome, a highly complex molecular machine composed of RNAs and proteins. To this end, special adaptor molecules called transfer RNAs are lined up by the ribosome in the sequence dictated by the genetic code, such that the amino acids carried by these molecules can be linked into a polypeptide. Several cofactors are involved in these processes, some of which require energy freed up by GTP hydrolysis. Although the ribosome was discovered more than 50 years ago, its structure has only been solved recently by X-ray crystallography. Another technique, cryo-electron microscopy, is starting to contribute toward our understanding of the ribosome's function, by portraying its conformational changes ...

Energy Technology Data Exchange (ETDEWEB)

The human articular cartilagineous proteoglycans (PG) R.I.A. is highly specific. The PG used as the standard and the /sup 125/I labelled molecule appear to be pure. Under these conditions, all the potential interfering substances which have been tested show no cross reaction. For instance, the Ag-Ab equilibrium is not affected by adding human IgG, human albumin, hyaluronic acid, chondroitin sulfate, rat type II collagen or total human serum proteins. This R.I.A. also exhibits a species spcificity since there is no cross reaction with rat PG and negligible cross section with dog PG. The results obtained after addition of enzymes to the antigen demonstrate that the antigenic sites are localized on the protein region and not on the glycosaminoglycan region of the molecule.

International Nuclear Information System (INIS)

A brief survey is presented of the methods of preparation and of the applications of radiopharmaceuticals labelled with short-lived positron radionuclides "1"1C, "1"8F, "1"3N and "1"5O which, thanks to their energy level schemes, short half-life and the 511 keV photon radiation energy are almost ideal tracers in modern nuclear medicine and pharmacology. In conjunction with computerized tomography, they represent one of the most sensitive diagnostic imaging methods, the so-called positron emission tomography. In addition, their incorporation in the molecule of a pharmaceutical does not change the biological and chemical properties of the original molecule unlike those of radiopharmaceuticals labelled with technetium, iodine, etc. (author). 125 refs.

Science.gov (United States)

Within the framework of the cluster approach and the semiempirical SCF MO LCAO method in the CNDO/BW valence approximation, possible pathways have been compared for the dehydroxylation of aluminosilicate systems. It has been shown that dehydroxylation as a result of splitting of a water molecule from an acidic bridge hydroxyl group and a more basic terminal group Al-OH is the most energyfavorable. Apparently, such a dehydroxylation pathway is primarily characteristic for amorphous aluminosilicates. Typical of crystalline aluminosilicates at moderate heat-treating temperature is dehydroxylation through splitting of a water molecule from an acidic bridge hydroxyl group and a neutral Si-OH group; at higher temperatures, there is a possible pathway of dehydroxylation of highsilica zeolites as a result of condensation of two acidic surface hydroxyls.

British Library Electronic Table of Contents (United Kingdom)

The cover picture shows the fertile combination of synthetic chemistry and experimental physics, both permanently making central contributions to hot scientific topics in spite of being classical scientific disciplines with long-standing traditions. The displayed scientist struggles with the synthesis of cruciform structures (displayed on the black board) for single-molecule-transport investigations in a mechanically controlled break junction setup (sketched in the inset at the upper right corner). More information on the design and synthesis of the cruciform structures, such as their immobilization experiments, is found in the article by M. Calame, M. Mayor et al. on p. 833 ff. Serafin Pazdera is greatly acknowledged for the cover artwork.

International Nuclear Information System (INIS)

The separation and the mechanism of retention of ion associates of #alpha#-isomers of molybdic and tungstic heteropoly acids (HPA) of phosphorus(5), silicon(4), and germanium(4) with trioctylamine (TOA) on a column (80x3 mm) packed with Diasorb-130-CN (8 #mu#m) were studied in a flow of chloroform-tetrahydrofuran (THF) and chloroform-n-butanol-TOA mixtures with spectrophotometric detection at 320 nm. It is demonstrated that the adsorption of all the studied ion associates proceeds through the displacement THF molecule from the surface of the stationary phase and without the displacement of TOA molecules. Conditions for the separation of phospho- and silicomolybdic HPA and also phospho- and germanolybdic HPA were found. The chromatographic system using silica gel modified with nitrile groups as the stationary phase is of higher selective than that using ummodified silica gel.

CERN Document Server

Jahn-Teller theorem, proposed in 1937, predicts a distortional instability for a molecule that has symmetry based degenerate electronic states. In 1939 Krishnan emphasized the importance of this theorem for the arrangement of water molecules around the transition metal or rare earth ions in aqueous solutions and hydrated saltes, in a short and interesting paper published in Nature by pointing out atleast four existing experimental results in support of the theorem. This paper of Krishnan has remained essentially unknown to the practitioners of Jahn-Teller effect, eventhough it pointed to the best experimental results that were available, in the 30's and 40's, in support of Jahn-Teller theorem. Some of the modern day experiments are also in conformity with some specific suggestions of Krishnan.

British Library Electronic Table of Contents (United Kingdom)

This communication reports the formation of complex Langmuir monolayer at the air-water interface by charge transfer types of interaction with the water soluble N-cetyl Formula Not Shown -trimethyl ammonium bromide (CTAB) molecules doped with rosebengal (RB), with the stearic acid (SA) molecules of a preformed SA Langmuir monolayer. The reaction kinetics of the formation of RB-CTAB-SA complex monolayer was monitored by observing the increase in surface pressure with time while the barrier was kept fixed. Completion of interaction kinetics was confirmed by FTIR study. This complex Langmuir films at the air-water interface was transferred onto solid substrates at a desired surface pressure to form multilayered Langmuir-Blodgett films. Spectroscopic characterizations reveal some molecular lev...

Energy Technology Data Exchange (ETDEWEB)

Organic/metal interface properties are of high interest for the application of molecular (sub)monolayers to modify surface properties. They are applied for, e.g., molecular electronics, chemical sensing, or the tuning of injection barriers in organic electronic devices. We present a joint theoretical and experimental study of F{sub 4}TCNQ adsorbed on Cu(111). The electronic and structural properties were determined by ultraviolet photoelectron spectroscopy (UPS) and X-ray standing wave (XSW) measurements. To better understand the complex process of binding, we modelled the system using density-functional theory. We find forward-donation from the lone pairs of the molecule into metallic states and back-donation from the metal into the LUMO of the molecule. The data on Cu(111) are compared to F4TCNQ on Au(111) and Ag(111) as well as to investigations of pyrenetetraone on various coinage metals.

British Library Electronic Table of Contents (United Kingdom)

Summation Copper-64 (T1/2?=?12.7 hours; ?+, 0.653?MeV [17.8 %]; ??, 0.579?MeV [38.4 %]) has decay characteristics that allow for positron emission tomography (PET) imaging and targeted radiotherapy of cancer. The well-established coordination chemistry of copper allows for its reaction with a wide variety of chelator systems that can potentially be linked to peptides and other biologically relevant small molecules, antibodies, proteins, and nanoparticles. The 12.7-hours half-life of 64Cu provides the flexibility to image both smaller molecules and larger, slower clearing proteins and nanoparticles. In a practical sense, the radionuclide or the 64Cu-radiopharmaceuticals can be easily shipped for PET imaging studies at sites remote to the production facility. Due to the versatility of 64Cu, ...

International Nuclear Information System (INIS)

A variable gene delivery system has been developed based on conjugating chitosan to biotin through a functionalized poly(ethylene glycol) (PEG) spacer, which can be used to further bind different molecules on the outer layer of a polymer/DNA complex by streptavidin (SA)-biotin linkage. In this study, TAT-conjugated SA was used as the model molecule to prove the conjugation function of the prepared complex. In addition, low-molecular-weight poly(ethyleneimine) (PEI) was added into the polymer/DNA complex to increase the transfection efficiency. The results of the luciferase assay show that the transfection efficiency of the prepared complex was significantly correlated with the amount of PEI and was further enhanced when TAT was conjugated to the complex by SA-biotin linkage. Considered to have negligible cytotoxic effects, the variable gene delivery complex prepared in this study would be of considerable potential as carriers for in vitro ...

Energy Technology Data Exchange (ETDEWEB)

The turbulent history of legislature concerned with the waste-management industry and the amount of material on this subject as well as the significance of the material in its own right led to the decision to publish all legal regulations on waste in one volume. It includes above all the Waste Law, Regulations on Determination of Waste, Regulations on Determination of Residual Products, Technical Instructions for Waste, Regulations for Monitoring Waste and Residual Products, Regulations on Probition from the Use of Chlorofluorohydrocarbons and Halon, Regulations on Packaging and Regulations on Sewage Sludge. The introduction explains the development and the role of the Waste Law and its applicability, goals and principles: The concept of waste, avoidance of waste, avoidance of waste tourism, the general welfare of the public; regulations on waste management, governmental means of monitoring waste management: Obligations to dispose of waste, compulsory waste-management plants and ...

Energy Technology Data Exchange (ETDEWEB)

Embryos of chicken (Gallus domesticus), domestic duck (Anas platyrhynchos), and common eider duck (Somateria mollissima) were exposed in ovo to PCBs and to polycyclic aromatic hydrocarbons. Two coplanar PCBs, 3,3{prime},4,4{prime}-tetrachlorobiphenyl (PCB {number_sign}77) and 3,3{prime},4,4{prime},5-pentachlorobiphenyl (PCB {number_sign}126), were considerably more lethal and potent as inducers of 7-ethoxyresorufin O-deethylase (EROD) in chicken embryos (Gallus domesticus) than in embryos of the other two species. In chicken embryos, these compounds caused edema and eye and beak deformities. An artificial mixture of 18 PAHs which all have been detected in environmental samples, was slightly more toxic to embryos of the domestic duck and the common eider duck than to chicken embryos. The most potent compound in the mixture was benzo(k)fluoranthene. When chicken embryo livers were exposed to 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) in vitro, EROD was induced by very low concentrations ...

Energy Technology Data Exchange (ETDEWEB)

During third quarter 1994, samples from AMB groundwater monitoring wells at the Metallurgical Laboratory Hazardous Waste Management Facility (Met Lab HWMF) were analyzed for selected heavy metals, indicator parameters, radionuclides, volatile organic compounds, and other constituents. Eight parameters exceeded standards during the quarter. As in previous quarters, tetrachloroethylene and trichloroethylene exceeded final Primary Drinking Water Standards (PDWS). Bis(2-ethylhexyl) phthalate exceeded final PDWS in one well. Aluminum, iron, manganese, tin, and total organic halogens exceeded the Savannah River Site (SRS) Flag 2 criteria. Groundwater flow direction and rate in the M-Area Aquifer Zone were similar to previous quarters. Conditions affecting determination of groundwater flow directions and rates in the Upper Lost Lake Aquifer Zone, Lower Lost Lake Aquifer Zone, and the Middle Sand Aquifer Zone of the Crouch Branch Confining Unit were also similar to ...