Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Energy Technology Data Exchange (ETDEWEB)

Examination of a chloroform extract of Dracaena loureiri Gagnep (Agavaceae), a Thia medicinal plant possessing antibacterial activity, has led to the isolation of fifteen flavenoids. The biogenic relationships among these flavenoids isolated were briefly discussed. Definition of the skeleton and the unambiguous assignment of all of the protons of the isolates was achieved through extensive 2D-homonuclear chemical shift correlation, nuclear Overhauser effect (NOE) difference spectroscopy and 2D-NOE experiments. The {sup 1}H and {sup 13}C NMR spectra of staurosporine, a potent biologically active agent from Streptomyces staurosporeus, were unambiguously assigned by using 2D homonuclear chemical shift correlation, NOE, {sup 1}H-detected heteronuclear multiple-quantum coherence via direct coupling and via multiple-bond ...

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 ...

UK PubMed Central (United Kingdom)

The binding of amphiphilic molecules to lipid bilayers is followed by ¹⁹F NMR using chemical shift and line shape differences between the solution and membrane-tethered states of...Full Text Available

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

We performed density functional calculations to examine the effects of solvation, hydrogen bonding, backbone conformation, and the side chain on 15N chemical shielding in proteins. We used N-methylacetamide (NMA) and N-formyl-alanyl-X (with X being one of the 19 naturally occurring amino acids excluding proline) as model systems. In addition, calculations were performed for selected fragments from protein GB3. The conducting polarizable continuum model was employed to include the effect of solvent in the density functional calculations. Our calculations for NMA show that the augmentation of the polarizable continuum model with the explicit water molecules in the first solvation shell has a significant influence on isotropic 15N chemical shift but not as much on the chemical shift anisotropy. The difference in the isotropic chemical shift ...

International Nuclear Information System (INIS)

The marked difference between the intra- and extracellular "3"1P NMR chemical shifts of various phosphoryl compounds when added to a red cell suspension may be largely understood in terms of the effects of hemoglobin on the "3"1P NMR chemical shifts. The presence of [oxy- or (carbonmonoxy)-] hemoglobin inside the red cell causes the bulk magnetic susceptibility of the cell cytoplasm to be significantly less than that of the external solution. This difference is sufficient to account for the difference in the intra- and extracellular chemical shifts of the two phosphate esters trimethyl phosphate and triethyl phosphate. However, in the case of the compounds dimethyl methylphosphonate, diethyl methylphosphonate, and trimethylphosphine oxide as well as the hypophosphite, phenylphosphinate, and diphenylphosphinate ions, hemoglobin exerts an additional, much larger, ...

British Library Electronic Table of Contents (United Kingdom)

Abstract Surface modification of topography and chemistry in order to achieve a specific water contact angle (CA) has been explored by using a novel combinatorial screening platform. The screening arrays consisted of 507 distinct combinations of micro-topographies and chemical compositions. By performing chemical modifications with 1H, 1H, 2H, 2H perfluoroethyltriethoxy-silane (PFS) and n-octadecyltriethoxysilane (ODS) on standard silicon wafers it was possible to include both superhydrophobic and very hydrophilic pad arrays in the same screening platform. Surfaces modified with PFS were more hydrophobic than surfaces modified with ODS, while the unmodified silicon surfaces were hydrophilic. For the PFS modified surfaces the largest CAs were achieved with a small pillar size of X-=-1-m and...

International Nuclear Information System (INIS)

Lead-203 [52.1 h, 279 (80.1%) KeV] has been recognized as a potentially useful tracer for tumor specific radiopharmaceuticals due to its favorable nuclear and chemical properties. This paper reports the cyclotron production of lead-203 and the labelling of monoclonal antibody B72.3, conjugated with 2-(p-isothiocyanatobenzyl)DOTA, with lead-203 in 30% yield. In vivo biodistribution and stability studies in mice are being conducted.

Energy Technology Data Exchange (ETDEWEB)

The effects of TANOL radical have been examined on chemical shifts and relaxation rates of /sup 109/Ag NMR in aqueous solution of silver salts. The silver ion in aqueous solution is found to coordinate with TANOL radical. A small amount of TANOL is added as a doping agent(0.020M), since /sup 109/Ag signals are obtained for (1.0M) silver ion within 30 minutes. The /sup 109/Ag chemical shifts of silver salt in aqueous solutions were found within the range of 0 to -1000 ppm relative to that of 1.0M AgNo/sub 3/.

International Nuclear Information System (INIS)

Cavity ringdown spectroscopy (CRDS) with continuous-wave (cw) laser excitation has added high frequency resolution to the ability of CRDS being used for the absolute quantification of trace-level species present in many chemical processes. Cavity dithering technique has easily resolved the problem of resonant coupling of a cw laser light into a high-finesse cavity. The present study addresses the potential uncertainty involved in such cw-CRDS techniques incorporating the cavity mirror motion, i.e., the doppler frequency shift of a probe light inside the cavity. In the high-resolution spectroscopic work of megahertz-accuracy, even the influence of intracavity doppler effect may become significant.

Energy Technology Data Exchange (ETDEWEB)

A series of 2-alkylthiopyrine-4-carbothioamides were synthesized, and their anti-fungal potency was tested. The chemical structures were proved by infrared spectroscopy (IR) and {sup 1}H nuclear magnetic resonance ({sup 1}H-NMR) data and by elemental analysis. The minimal inhibitory concentration (MIC) and minimal fungicidal concentration (MFC) assessment were used for the estimation of potential activity in vitro. The study comprising 21 clinical isolates of fungi showed that two compounds exhibited fair inhibitory activity against some yeasts and dermatophytes. Selective fungistatic activity against non-dermatophytes (MIC = 3.12-25.0 {mu}g/mL) was found also in another compound. None of the above compounds showed inhibitory activity against non-dermatophyte filamentous fungi. Microbiological activity of 2-alkylthiopyridine-4-carbothioamides appears to be mainly related to ...

International Nuclear Information System (INIS)

The photophysical investigation of different para-substituted tetraphenylporphyrins (TP), viz., meso-tetra(4'-hydroxyphenyl)-21H-23H-porphyrin(1),meso-tetrakis (4'-hex-5-enyloxyphenyl)-21H-23H-porphyrin(2), meso-tetrakis(4'-oct-7-enyloxyphenyl)-21H-23H-porphyrin(3) and meso-tetrakis(4'-undecyloxyphenyl)-21H-23H-porphyrin (4) revealed that except for quantum yield (#phi#) the para-substitution has little effect on any other photophysical properties like lifetime, excitation, emission wavelength, etc. The host-guest type interactions of these tetraarylporphyrins (TP 1-4), with [60]-fullerene (F) have been studied with "1H NMR and fluorescence spectrometric techniques in carbon tetrachloride medium. Fluorescence studies revealed that the Q band of the TPs was sufficiently quenched upon addition of F. All the fullerene/porphyrin systems were found to produce stable complexes with 1:1 stoichiometry. Binding constants (K) of all the ...

Energy Technology Data Exchange (ETDEWEB)

In situ Auger sputter depth profiles of saturation implants of 3 keV N/sub 2//sup +/ in silicon at room temperature exhibit a sharp peak in the nitrogen concentration in the outermost layers, followed by a monotonic decrease. No broad plateau was observed. The energy of the Auger line corresponding to the Si(2p) core electron excitation, monitored throughout the profiling, exhibits a chemical shift of up to 7 eV at the surface peak concentration. Inert gas ion post-bombardment of unsaturated implants significantly modifies the profile, and supports the suggestion that the surface peak arises through radiation enhanced diffusion of implanted atoms.

Energy Technology Data Exchange (ETDEWEB)

The use of microwave in chemistry has known benefits over conventional heating methods, e.g. reduced reaction times, chemical yield improvement and the possibility if reducing or eliminating the use of organic solvents. We describe herein a procedure for the nitration of salicylaldehyde in water using a domestic microwave oven, which can be used as an experiment in the undergraduate chemistry laboratory. The experiment involves safe and rapid preparation and identification of the position isomers by thin layer chromatography and {sup 1}H NMR, or by their melting points. (author)

Energy Technology Data Exchange (ETDEWEB)

The acid-base behavior of the ground and excited states of Pt(qdt){sub 2}{sup 2{minus}} and Pt(phen)(qdt), where qdt=quinoxaline-2,3-dithiolate and phen = 1,10-phenanthroline, has been studied. The pH-dependent changes in the charge-transfer absorption and emission spectra for both complexes are attributed to protonation of the quinoxalinedithiolate ligand at the imine nitrogen. For Pt(qdt){sub 2}{sup 2{minus}}, single protonation leads to a large red shift (2582 cm{sup {minus}1}) of the low-energy charge-transfer-to-dithiolate absorption band and the emergence of a new red-shifted emission feature at 728 nm. In solutions of pH below 6, a second protonation takes place at the other qdt ligand, yielding Pt-(Hqdt){sub 2}. This neutral complex has been isolated and characterized by {sup 1}H NMR spectroscopy and elemental analyses. The ground-state basicity constants of the two protonation steps have been ...

British Library Electronic Table of Contents (United Kingdom)

Herein, we report engineering of nanostructured p-CuIn3Se5/n-CdS heterojunction thin film on a glass substrate, which is prepared at room temperature using simple wet chemical approach involving ion exchange reactions between CdS and Cu^+, In^3^+ and Se^2^- ions in alkaline medium. The uniform deposition of heterojunction thin films is achieved by optimizing the pH, temperature and molarity of the reactant bath. The as-deposited thin-films were annealed at 200^oC in air for 1h and further characterized for structural, optical and electrical properties using UV-Vis spectrophotometer, X-ray diffraction (XRD), scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy (XPS), Hall effect for type of conductivity, and I-V measurement to investigate the char...

International Nuclear Information System (INIS)

The atomic explosions in Hiroshima and Nagasaki made the name radiation itself become a nightmare. Notwithstanding this, radiation continued to serve the mankind specially in diagnosis of several human diseases and in the treatment of intractable malignancies. With their latest research tools biologists have now shown a significant shift in the earlier paradigm; even the concept that radiation initiates cancer appears to be no longer tenable. On the contrary, selective radiation doses inhibit growth of cancer cells and radiation in combination with many chemotherapeutic drugs, radiosensitizing chemicals and/or hyperthermia, is emerging as a new modality for cancer treatment which offers high therapeutic advantages. In addition, the deleterious effects of radiation can now be strategically counter poised by the use of many drugs and chemicals. This has been possible by the newer insights gained in the mechanism of biological ...

Energy Technology Data Exchange (ETDEWEB)

Nitrous oxide is methylated with CH/sub 3/F ..-->.. SbF/sub 5/F/sub 2/ or with CH/sub 3/O/sup +/SOClF in SO/sub 2/ClF to give the stable methoxydiazonium ion CH/sub 3/ON/sub 2//sup +/ (1), which was characterized by NMR (/sup 15/N, /sup 13/C, /sup 1/H) and FT IR spectroscopic studies. It is stable below -30 /sup 0/C, above which it decomposes, regenerating N/sub 2/O. When reacted with aromatics, such as toluene, 1 gives only methylation products and no methoxy derivatives are formed. Spectroscopic and chemical data indicate that the mesomeric form CH/sub 3/O-N=N/sup +/ is a significant contributor to the overall structure of 1. Consideration of computed charge distribution (4-31 G with full geometry optimization and 4-31 G*) also supports this conclusion. Independent generation of 1 was also studied by solvolysis of methylazoxy triflate and diazotization of methoxylamine with NO/sup +/BF/sub 4//sup -/. Preparation of the ...

British Library Electronic Table of Contents (United Kingdom)

Background Computed tomography (CT) and magnetic resonance (MR) imaging can help diagnose benign adrenal adenomas, but prior studies rely on nonoperative follow-up as proof of a lesion?s benign nature. We examined adrenalectomy tissues to determine if imaging characteristics correlate with histopathologic findings. Methods We retrieved data for 196 consecutive adrenalectomies in 192 patients from 2000 to 2008. Imaging results were considered to signify benign adrenal adenoma if one or more of the following was present: Hounsfield units 60% or relative contrast washout of >40%, or MR with chemical-shift imaging demonstrating loss of signal intensity on out-of-phase images. Results The sensitivity and specif...

Energy Technology Data Exchange (ETDEWEB)

Increasing quantities of chicken waste concerns the poultry industry because of escalating disposal costs and the potential for environmental pollution. Biological conversion of these wastes to valuable products such as methane and/or chemical feed-stocks appears to be feasible. Biomethanation of chicken waste by a sewage sludge microbial consortium produced as much as 69 mol% methane in the gas phase. Acetic and propionic acids were the major acids produced during the bioconversion. Addition of chelating agents and other micro-nutrients enhanced methane production and shifted the ratios of intermediates accumulated. Preliminary data indicate that more than 60% of the chicken waste carbon was converted and that the nitrogen-rich residue may have potential as a soil additive. (author).

Energy Technology Data Exchange (ETDEWEB)

The production of {alpha}-amylase by Bacillus licheniformis M27 in submerged fermentation was completely inhibited due to catabolic repression in medium containing 1% glucose. In contrast, the enzyme production in a solid state fermentation system was 19,550 units/ml extract even when the medium contained 15% glucose. The peak in enzyme titre was, however, shifted from 48 to 72 h. The ability of the solid state fermentation system to significantly overcome catabolic repression was not known earlier and is probably conferred by various physico-chemical factors and culture conditions specific to the system. (orig.).

International Nuclear Information System (INIS)

Angelin Pedra is a specie found in the north of Mato Grosso State in Brazil, where an expressive volume of waste of this wood is produced. An alternative to recycle this waste is to produce wood plastic composites. However, structural and chemical investigations are fundamental to generate information for this use. In the present work, low field NMR was used to determine the spin-lattice and spin-spin relaxation times with objective to investigate the molecular dynamic behavior of the alburnu and cerne regions of Angelin Pedra aiming at a potential use of this waste wood in polymeric composites. The results of the proton spin-lattice relaxation time (T1H) and the proton spin-spin relaxation time (T2H) showed at least three different mobility domains for both regions. Among the values, one was very flexible and other was rigid. Knowing that wood is a polymer composite basically constituted by cellulose, hemicellulose and ...

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Energy Technology Data Exchange (ETDEWEB)

An analysis was made on corrosion suppression mechanism of glycoletherdiaminetetraacetic acid (GEDTA) film made from GEDTA on stainless steel, and its corrosion inhibition effect. Results of analysis using IR spectrum, IR-ATR spectrum, {sup 1} HNMR spectrum, and ESCA spectrum indicated the deposition of the GEDTA film is a chemical deposition. In polarization tests at pH = 5 and 7, both polarization curves shifted to the constant current density side, showing suppression effect in reactions at both pH. When the corrosion environment is made severer, such as to pH = 2 and 4, the corrosion suppression effect of GEDTA became more distinctive. A ferroxyl test identified very little difference between untreated and treated materials. In a chemical pitting test, because oxidant and corrosive anion coexist in the test solution, and GEDTA is stable against corrosive anion Cl {sup {minus}}, the film is unstable against the oxidant. ...

International Nuclear Information System (INIS)

Portuguese 2004 2 p. Brazil Resende, Jarbas Magalhaes Vieira, Gessy

International Nuclear Information System (INIS)

"2"7Al and "2"9Si solid-state NMR spectra and X-ray diffraction (XRD) patterns were obtained for #alpha#-SiAlON powders prepared by combustion synthesis, according to which the phase transformation and structure evolution of #alpha#-SiAlON were studied. It was found that in #alpha#-SiAlON "2"9Si chemical shift values (-48 < #delta# _S_i < -47) were close to those in #beta#-Si_3N_4 and #alpha#-Si_3N_4, indicating that Si atoms kept SiN_4 coordination to a large extent in #alpha#-SiAlON despite the presence of O atoms. Dissimilarly, "2"7Al chemical shift values in #alpha#-SiAlON deviated clearly from that corresponding to AlN_4 coordination (#delta# _A_l #approx# 112) and occurred in a range from #delta# _A_l 95.5 to 99.9, which should be assigned to tetrahedral AlO _xN_4_-_x (0 #<=# x #<=# 4) coordination. The broadening effect of AlO _xN_4_-_x peaks was noticed, which was suggested to ...

International Nuclear Information System (INIS)

According to the calculations, intensity of the KL_1L_2("3P_0) Auger transition should drastically increase with increasing atomic number Z due to the relativistic effects. However, this behavior was experimentally proved only for very few elements. A lack of enough precise experimental data in the atomic number region Z<45 does not enable one to distinguish between relativistic and non-relativistic approaches in this region. Thus for Z=38 the KL_1L_2("3P_0/"1P_1) intensity ratio was determined with relative uncertainty of 63 % in the only measurement with external excitation. Here we present results of our investigation of the KLL Auger electron spectrum of "8"8Sr generated in the EC decay of "8"8Y (T_1_/_2= 106.6 d). Electron spectra were measured with the 11 eV instrumental resolution using a combined electrostatic spectrometer. The present value of the KL_2L_3("1D_2) absolute transition energy in Sr is higher by 7.4 eV (i.e. more than 3#sigma#) then that obtained in the previous ...

Energy Technology Data Exchange (ETDEWEB)

The technique of air diffusion by shifting presents several advantages in terms of thermal comfort, indoor air quality and energy conservation. This book presents the principle, dimensioning, and implementation of air shifting diffusion systems. (J.S.)

KoreaScience (Korea)

Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Laser spectroscopy measurements have been performed on neutron-deficient and stable Ir isotopes using the COMPLIS experimental setup installed at ISOLDE-CERN. The radioactive Ir atoms were obtained from successive decays of a mass-separated Hg beam deposited onto a carbon substrate after deceleration to 1kV and subsequently laser desorbed. A three-color, two-step resonant scheme was used to selectively ionize the desorbed Ir atoms. The hyperfine structure (HFS) and isotope shift (IS) of the first transition of the ionization path 5d{sup 7}6s{sup 24}F{sub 9/2}{yields}5d{sup 7}6s6p{sup 6}F{sub 11/2} at 351.5nm were measured for {sup 182-189}Ir, {sup 186}Ir{sup m} and the stable {sup 191,193}Ir. The nuclear magnetic moments {mu}{sub I} and the spectroscopic quadrupole moments Q{sub s} were obtained from the HFS spectra and the change of the mean square charge radii from the IS measurements. The sign of {mu}{sub I} was experimentally determined for the first time for ...

Energy Technology Data Exchange (ETDEWEB)

Si nanocrystal floating gate MOS capacitors were formed on p-Si (100) wafers by thermal plasma jet (TPJ) annealing of SiO{sub 2}/SiO{sub x} /SiO{sub 2}/Si(100) stacked structure. The chemical composition of SiO{sub x} layer was controlled by changing the SiH{sub 4}, He, and O{sub 2} gas flow ratio during plasma enhanced chemical vapour deposition. The MOS capacitors showed clear hysteresis in capacitance-voltage (CV) characteristics after TPJ annealing. The hysteresis width shows maximum value when initial composition x =1.7, which shows the maximum photoluminescence (PL) intensity. The maximum hysteresis width of 6.8 V was observed with gate voltage swept between 20 and -20 V in x = 1.7 sample. The result means 7.4 x 10{sup 12} cm{sup -2} carriers are injected to or emitted from Si nanocrystals. The duration of 1 V shift in flatband voltage was {proportional_to}0.1 ms with 20 V pulse, and charged carriers were stably ...

International Nuclear Information System (INIS)

Chemoheterotrophic thermophilic bacteria were used to achieve enhanced hydrocarbon degradation during slurry-phase treatment of oily waste sludges from petroleum refinery operations. Aerobic and anaerobic bacterial cultures were examined under thermophilic conditions to assess the effects of mode of metabolism on the potential for petroleum hydrocarbon degradation. The study determined that both aerobic and anaerobic thermophilic bacteria are capable of growth on petroleum hydrocarbons. Thermophilic methanogenesis is feasible during the degradation of hydrocarbons when a strict anaerobic condition is achieved in a slurry bioreactor. Aerobic thermophilic bacteria achieved the largest apparent reduction in chemical oxygen demand, freon extractable oil, total and volatile solid,s and polycyclic aromatic hydrocarbons (PAHs) when treating oily waste sludges. The observed shift with time in the molecular weight distribution of hydrocarbon material ...

Energy Technology Data Exchange (ETDEWEB)

In this work we present the electrical characterization of non self-aligned p-channel thin film transistors fabricated by using laser doping technique for source/drain contact formation and gate oxide deposited at room temperature by Electron Cyclotron Resonance Plasma Enhanced Chemical Vapour Deposition. These techniques are suitable for a very low temperature process for TFT fabrication. The output characteristics show a current increase at high drain voltage ('kink' effect) rather moderate, if compared to self aligned polysilicon TFTs, probably due to the gradual doping profile induced by laser doping process. After bias stress at low gate voltage and high drain voltage condition a strong reduction of kink current has been observed in the output characteristics at high drain voltage, whereas minor changes has been observed in the transfer characteristics. This behaviour is similar to what observed in n-channel Gate Overlapped Thin Film ...

International Nuclear Information System (INIS)

The crystal structure of outer surface protein A (OspA) from Borrelia burgdorferi contains a single-layer #beta#-sheet connecting the N- and C-terminal globular domains. The central #beta#-sheet consists largely of polar amino acids and it is solvent-exposed on both faces, which so far appears to be unique among known protein structures. We have accomplished nearly complete backbone H, C and N and C";/H"#beta# assignments of OspA (28 kDa) using standard triple resonance techniques without perdeuteration. This was made possible by recording spectra at a high temperature (45 "oC ). The chemical shift index and "1"5N T_1/T_2 ratios show that both the secondary structure and the global conformation of OspA in solution are similar to the crystal structure, suggesting that the unique central #beta#-sheet is fairly rigid.

Energy Technology Data Exchange (ETDEWEB)

The interaction of cis-diamminediaquoplatinum(II) nitrate with adenosylcobalamin and a series of alkylcobalamins was studied by carbon-13 nuclear magnetic resonance spectroscopy and by electronic spectroscopy. With these cobalamins cis-(Pt(NH/sub 3/)/sub 2/(OH/sub 2/)/sub 2/)/sup 2 +/ forms adducts in which N(3) of the 5,6-methylbenzimidazole moiety is co-ordinated to platinum(II) rather than to cobalt(III) of the corrin. The chemical shifts of the 5'-methylene carbon of adenosylcobalamin-platinum adduct and of the Co-methyl carbon of the methylcobalamin-platinum adduct are characteristic of these cobalamins in the base-off form. Furthermore, these cobalamin-platinum complexes have visible spectra identical to those of the cobalamins in acidic solution. The /sup 13/C NMR spectrum of the adenosylcobalamin-platinum complex suggests the presence of a second adduct in which platinum(II) complexes are co-ordinated to both the N(3) of the ...

International Nuclear Information System (INIS)

Nanowires of copolymers film based on aniline and 1-amino-2-naphthol-4-sulphonic acid were electrochemically synthesized on the iron electrode by cyclic voltammetry using oxalic acid as a supporting electrolyte. Protective properties of copolymer film on the iron surface in 1.0 M HCl solution was investigated by chronoamperometry, potentiodynamic polarization technique and electrochemical impedance spectroscopy (EIS). The results showed that the copolymer film showed the significant shifting in the corrosion potential and greater charge transfer resistance. Moreover, the copolymer showed the larger degree of surface coverage onto the iron surface, reflecting the higher protection for corrosion of the iron in acidic medium. In addition, the film constitutes a physical as well as a chemical barrier layer due to the presence of -OH and -NH groups in ANSA unit, which provides passivity protection in polymer coatings. The mechanism of corrosion ...

International Nuclear Information System (INIS)

The effect of the external pH on the intracellular pH in mung bean (Vigna mungo (L.) Hepper) root-tip cells was investigated with the "3"1P nuclear magnetic resonance (NMR) method. The "3"1P NMR spectra showed three peaks caused by cytoplasmic G-6-P, cytoplasmic Psub(i) and vacuolar Psub(i). The cytoplasmic and vacuolar pHs could be determined by comparing the Psub(i) chemical shifts with the titration curve. When the external pH was changed over a range from pH 3 to 10, the cytoplasmic pH showed smaller changes than the vacuolar pH, suggesting that the former is regulated more strictly than the latter. The H"+-ATPase inhibitor, DCCD, caused the breakdown of the mechanism that regulates the intracellular pH. H"+-ATPase appears to have an important part in the regulation of the intracellular pH. (author).

Science.gov (United States)

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

International Nuclear Information System (INIS)

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

KoreaScience (Korea)

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Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

CERN Document Server

A new class of (not necessarily bounded) operators related to (mainly infinite) directed trees is introduced and investigated. Operators in question are to be considered as a generalization of classical weighted shifts, on the one hand, and of weighted adjacency operators, on the other; they are called weighted shifts on directed trees. The basic properties of such operators, including closedness, adjoints, polar decomposition and moduli are studied. Circularity and the Fredholmness of weighted shifts on directed trees are discussed. The relationships between domains of a weighted shift on a directed tree and its adjoint are described. Hyponormality, cohyponormality, subnormality and complete hyperexpansivity of such operators are entirely characterized in terms of their weights. Related questions that arose during the study of the topic are solved as well. Particular trees with one branching vertex are ...

Energy Technology Data Exchange (ETDEWEB)

Trihydroxynaphthalene reductase catalyzes two intermediate steps in the fungal melanin biosynthetic pathway. The enzyme, a typical short-chain dehydrogenase, is the biochemical target of three commercial fungicides. The fungicides bind preferentially to the NADPH form of the enzyme. Three X-ray structures of the Magnaporthe grisea enzyme complexed with NADPH and two commercial and one experimental fungicide were determined at 1.7 {angstrom} (pyroquilon), 2.0 {angstrom} (2,3-dihydro-4-nitro-1H-inden-1-one, 1), and 2.1 {angstrom} (phthalide) resolutions. The chemically distinct inhibitors occupy similar space within the enzyme's active site. The three inhibitors share hydrogen bonds with the side chain hydroxyls of Ser-164 and Tyr-178 via a carbonyl oxygen (pyroquilon and 1) or via a carbonyl oxygen and a ring oxygen (phthalide). Active site residues occupy similar positions among the three structures. A buried water ...

Science.gov (United States)

Some new 3-piperazinylmethyl-5-aryl-1H-1,2,4-triazoles have been prepared and tested for their antifungal and antimicrobial activity. Among them, compounds 3g and 3h exhibited higher antifungal activity than ketoconazole against Cladosporium cladosporoides and Aspergillus niger respectively. PMID:9825120

International Nuclear Information System (INIS)

The classical theory of collisional broadening and shift parameters (?, ?) of an isolated spectral line was used to obtain simple analytical formulas for calculating both ? and ?. These formulas were obtained on the assumption that the short range interaction is effective only in the broadening while the long range is effective in the shift of the spectral line. These parameters ? and ? depend on the limiting phase shifts responsible for broadening ?b and shift ??. It was found that the values of ?b and ?? are not equal to each other as was proposed by Weisskopf ?b=??=1. The maximum and average values of ?b (?bmax, ?bav) and ?? (??max, ??av) were obtained by numerical evaluation, using different inverse power potentials. By introducing these parameters into the approximated formulas for ? and ? using Van der Waals and Lennard-Jones potential, it was found that the results of calculations for (? and ?) ...

British Library Electronic Table of Contents (United Kingdom)

Purpose - The purpose of this paper is to elicit the subtle but progressive shift in organizational/institutional interaction with its rivals within a competitive framework, and thereby discusses and analyses paradigm shifts in competition and competitiveness. The paper argues that interorganizational networks and the recent concept of supply chain management may have induced a change in how competitiveness is viewed at the national, industry, and firm levels of interaction. Design/methodology/approach - The paper conceptualizes extant literature into distinct themes of (organizational and institutional) analysis - micro, macro, and meso - and based on this review the paper seeks to identify emerging logics and shifts within mainstream competitiveness literature over the last decade. Findi...

International Nuclear Information System (INIS)

We examined the spectral behaviors of lasing from a asymmetrically deformed liquid jet (a ? 14 ?m) which is induced by a laterally flowing gas. Th liquid sample was methanols which contains DCM dye. When n distortion is induced, the lasing spectrum appears as two periodic peaks which are corresponding to the resonance modes of cylindrical cavity. As the distortion parameter exceeds about 4%, the lasing spectrum shifts continuously to short wavelength. When the distortion parameter reaches ? 10%, the amount of blue shift was ? 30 nm. The blue shift can be explained as the shift of optimum wavelength of threshold curves. From the absorption and fluorescence curve of liquid sample, we estimated the spoiled Q with the distortion parameter.

Science.gov (United States)

Efficiency and Renewable Energy EERE Home | Programs & Offices | Consumer Information Chemicals Search Search Help Chemicals EERE » Industrial Technologies Program » Chemicals...

Science.gov (United States)

We report the existence of a previously unsuspected peak in the [sup 1]H magic angle spinning spectrum of commercially available HZSM-5 samples. At 298 K, this resonance is a broad shoulder on the downfield side of the Bronsted acid signal at 4.3 ppm. Cooling the sample caused the line to narrow, and a clear peak at 6.9 ppm was visible at 123 K. This technique resulted in selective broadening of the 4.3 and 6.9 ppm resonances as a result of conflicting averaging of the [sup 1]H-[sup 27]Al dipolar coupling. We conclude that the 6.9 ppm resonance corresponds to a novel aluminum-containing site in zeolite HZSM-5 and is not an artifact due to exchange with the Bronsted site or an aluminum-rich impurity phase. A possible interpretation of these results is a second Bronsted site for the zeolite. 49 refs., 8 figs.

British Library Electronic Table of Contents (United Kingdom)

The interfacial tension g of the hexane solution of 1H,1H,10H,10H-perfluorodecane-1,10-diol (FC10diol) and 1H,1H,2H,2H-perfluorododecanol (TFC12OH) mixture against water was measured as a function of the total molality m and composition of TFC12OH in the mixture X2 at 298.15K under atmospheric pressure. The interfacial pressure p vs. mean area per adsorbed molecule A curves and the phase diagram of adsorption (PDA) were constructed in order to shed light on the effect of the molecular orientation on the state of and the miscibility of FC10diol and TFC12OH in the adsorbed film. The p vs. A curves demonstrated that the mixed system exhibits three kinds of film states, parallel-condensed, normal-condensed, and multilayer states, depending on m and X2. The PDA indicated that film composition X...

Science.gov (United States)

Oct 18, 2009... jumps mostly from C-130 and C-141 Air Force transports and Army UH-1H Huey helicopters with the "All American," 82nd Airborne Division. ...

Science.gov (United States)

Syntheses of all five of the singly labeled (/sup 15/N)adenines are now provided. The presence or absence of two-bond /sup 15/N-/sup 1/H spin couplings in their /sup 1/H NMR spectra confirm the location of the isotope in each case. The fragmentation patterns in their mass spectra are indicative of the sequential losses of HCN units and of CH/sub 2/N/sub 2/ from adenine upon electron impact.

International Nuclear Information System (INIS)

Spectral appearance and concentrations of the most prominent metabolites are affected by brain development. This knowledge is essential for the detection of pathological changes in pediatric patients. This paper discusses specific conditions of MR spectroscopic examination of children and the effects of age on MR spectra quality and quantitation of the studied metabolites. Clinical examples show several diseases that are reflected in changes in "1H MR spectra due to pathological alterations in the biochemical pathways of the observed metabolites. Attention is given to the main metabolites such as N-acetylaspartate, creatine/phosphocreatine, cholines, lactate, inositol, etc.

Energy Technology Data Exchange (ETDEWEB)

This study focuses on a series of Pt{sup II}(L-L{prime})(dppm){sup n+} complexes, where dppm is bis(diphenylphosphino)methane and L-L{prime} are C(caret)C{prime} (n = 0), C(caret)N (n = 1), and N(caret)N{prime} (n = 2) aromatic ligands. Structural characteristics are reported. Structural features indicate that the Pt-C bond distance is shorter than the Pt-N bond distance in symmetrical complexes and that the Pt-P bond distance trans to N is shorter than the Pt-P bond trans to C. This is consistent with the {sup 31}P NMR spectra where the chemical shift of the P trans to C is {approximately}10 ppm less than found for P trans to N. The energy maxima of the metal-to-ligand charge-transfer band for the complexes containing various L-L{prime} ligands occur in the near-UV region of the spectrum and fall into the energy series bpy > bph > phen > 2-phpy > 2-ptpy > 2-phq > 7,9-bzq, where bpy is ...

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A Lurgi baseline study was requested by the DOE/GRI Operating Committee of the Joint Coal Gasification Program for the purpose of updating the economics of earlier Lurgi coal gasification plant studies for the production of substitute natural gas (SNG) based on commercially advanced technologies. The current study incorporates the recent experience with large size Lurgi plants in an effort to improve capital and operating costs of earlier plant designs. The present coal gasification study is based on a mine mouth plant producing 250 billion Btu (HHV) per day of SNG using the Lurgi dry bottom coal gasification technology. A Western subbituminous coal was designated as the plant food, obtained from the Rosebud seam at Colstrip, Montana. This study presents the detailed description of an integrated facility which utilizes coal, air, and water to produce 250 billion Btu (HHV) per day of SNG. The plant consists of coal handling and preparation, twenty-six Lurgi dry bottom gasifiers, ...

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English - Chemical Emergencies Click to Stop Video Click to Start Video To Listen to the Audio or ...

International Nuclear Information System (INIS)

The resonance line shift of a series of A-15 structures (V_3Pt, Vsub(0.76)Ptsub(0.24) and Vsub(0.62)Irsub(0.38) is measured as a function of temperature in the superconducting state. A method will be described to separate the contribution of the diamagnetism of the superconductor (Meissner effect) and that of the Knight shift to this line shift. From the temperature dependence of the Knight shift of the V atoms the sum of the s and d contribution to the Knight shift can be determined. In these three compounds the s and d contributions appear to cancel out nearly. Moreover the temperature dependence of kappa_2 can be calculated from the measurements. The values of kappa_2 extrapolated at T=Tsub(c) are about 70 for these samples. From the obtained sum of Ksub(s) and Ksub(d) and the data of the susceptibility or of the specific heat of these samples Ksub(s) and Ksub(d) can be ...

Science.gov (United States)

Spontaneous emission in photonic crystals with anisotropic three-dimensional dispersion relation is studied. If the upper level is below a characteristic frequency omega(1), or above omega(2), or between omega(1) and omega(2), the radiation is a localized field with a frequency in the band gap, or a propagating field with a frquency in the band, or a diffusion field, respectively. An analytical expression for the Lamb shift is obtained. The Lamb shift for the current case is small compared to that in an ordinary vacuum or in one- or two-dimensional photonic crystals due to lower density of states. PMID:11017227

International Nuclear Information System (INIS)

(Jan - Feb 1981). United Kingdom Kung, HF Tramposch, K. Blau, M. Buffalo

UK PubMed Central (United Kingdom)

Several studies of facilitated communication have demonstrated that the facilitators were controlling and directing the typing, although they appeared to be unaware of doing so. Such results shift...Full Text Available

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... Biomedical measures were also collected. Four 82nd Airborne Division teams performed high workload operations without shifts. ...

International Nuclear Information System (INIS)

Phenomenological accountancy of quanta-electrodynamic corrections by means of introduction into multielectron theory of short-term potential, the parameters whereof are calibrated in such a way that provides for correct reproduction of the Lamb shift of the 1s-orbital energy for a correspondingly selected effective charge is developed by example of d-line of Na-like multicharged ions.

Energy Technology Data Exchange (ETDEWEB)

The inevitability of sustainable economic development and its linkage to a gradual shift to renewable energy sources, especially solar energy, was discussed. Means to measure sustainability of technology were described, and policy instruments (essentially research, development and demonstration, and punitive taxes on conventional energy carriers) to accelerate the shift to renewable energy sources were outlined.

International Science & Technology Center (ISTC)

Computer-Aided Prediction of Chemical Ecotoxicity on the basis of Quantitative Structure-Activity Relationships with the Use of Physico-Chemical Descriptors, Including H-bond Parameters

UK PubMed Central (United Kingdom)

Chemical leucoderma is an industrial disorder in developed countries and the common causative chemicals are phenols and catechols. Due to stringent controls and preventive measures the incidence has...Full Text Available

International Nuclear Information System (INIS)

The /sup 40/Ca(p,n)/sup 40/Sc reaction was studied at 134 MeV. Neutron energy spectra were measured by the time-of-flight technique with resolutions of 220 keV at angles from 0"0 to 41"0 and 415 keV out to 62"0. The 2"-,3"-,4"-,5"- band of states based on the (f/sub 7/2/,d/sub 3/2//sup -1/) 1p1h structure was observed at low excitation energies, in good agreement with known analog states in /sup 40/Ca and /sup 40/K. The shapes of the cross-section and analyzing-power angular distributions are in good agreement with distorted-wave impulse-approximation calculations using simple 1p1h (Tamm-Dancoff approximation) shell-model wave functions. A relatively strong transition to a state at E/sub x/ = 2.3 MeV with L = 3 is identified tentatively as a 4"- state with the predominant 1p1h structure (1f/sub 7/2/,2s/sub 1/2//sup -1/).

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PMID:12722515

Energy Technology Data Exchange (ETDEWEB)

Short communication

Energy Technology Data Exchange (ETDEWEB)

Short communication. 3 refs.

Science.gov (United States)

No abstract prepared.

Science.gov (United States)

No abstract available.

Energy Technology Data Exchange (ETDEWEB)

Rhenium is technetium`s third row congener and exhibits many of the chemical properties that technetium displays. Theoretically, a Re-PhAT complex will be isostructural with the {sup 99m}Tc PhAT complexes that have been prepared for use as brain imaging agents. A series of neutral rhenium(V) oxo complexes was synthesized by the reaction of ReOBr{sub 4}{sup {minus}} with diamino-thiol-thioether ligands of the type (RSC(CH{sub 3}){sub 2})CH{sub 2}NH(o-C{sub 6}H{sub 4})NHCH{sub 2}C(CH{sub 3}){sub 2}SH. The complexes were characterized by IR, UV/visible, and {sup 1}H and {sup 13}C NMR spectroscopy and by fast-atom-bombardment mass spectroscopy. The single-crystal X-ray structure determination on two of the complexes, where R = CH{sub 2}CH{double_bond}CH{sub 2} and CH{sub 2}CH{sub 2}-CH{sub 3}, showed them to consist of a square pyramidal Re{sup V}ON{sub 2}S{sub 2} core. ReO[CH{sub 2}{double_bond}CHCH{sub 2}SC(CH{sub 3}){sub ...

Science.gov (United States)

{sup 1}H, {sup 13}C, {sup 27}Al, and {sup 29}Si magic-angle-spinning (MAS) NMR was used to elucidate the nature of the catalytic activity of zeolite H-ZSM-5. {sup 1}H MAS NMR of sealed samples after mild hydrothermal dealumination shows that the enhanced activity for n-hexane cracking is not due to an enhanced Bronstead acidity. The concentrations of the various OH groups and aluminous species suggest that the reason for the enhanced catalytic activity is the interaction of the n-hexane molecule with a bridging hydroxyl group and with extra-framework aluminium species, which give rise to the enhanced activity, cannot be easily removed from their positions, and are therefore immobilized by the zeolitic framework.

CERN Document Server

We study neutral and charged Higgs boson production in association with stop and sbottom squarks at the Large Hadron Collider (LHC), within the so-called M-SUGRA scenario, i.e., the Supergravity (SUGRA) inspired Minimal Supersymmetric Standard Model (MSSM). For low values of \\tan\\beta only the cases \\tilde{t}_1\\tilde{t}_1^* H, \\tilde{t}_1\\tilde{t}_1^* h and than 30 a variety of signals involving all Higgs bosons can be accessed, at high collider luminosity. The dependence of these reactions on the M-SUGRA parameters might further allow one to pin down the actual structure of the underlying Supersymmetric (SUSY) model.

Energy Technology Data Exchange (ETDEWEB)

Chemical oxidation is a treatment technology that uses powertul chemical oxidizers to destroy organic contaminants. Typical oxidizers used in chemical oxidation processes include ozone, hydrogen peroxide, chlorine, and potassium permanganate. The chemical reaction products are usually simple organic compounds, such as carboxylic acids, and/or inorganic compounds, such as carbon dioxide, water, and simple inorganic complexes (e.g., chloride salts, in the case of chemical oxidation treatment of chlorinated solvents).

International Nuclear Information System (INIS)

An experimental study and a theoretical simulation were made of stimulated Raman scattering (SRS) conversion into shifted components. It was found that there were optimal values of the pressure and focal distance for conversion into the first 'blue' satellite of the first Stokes component. A study was made of the spatial and temporal dynamics of SRS conversion, which took into account generation of the shifted components. It was demonstrated theoretically and experimentally that the satellite intensity could be enhanced significantly by additional electron-collision excitation of the vibrational levels in the conversion medium or by the application of pairs of pump pulses. The maximum efficiency of conversion to the first 'blue' satellite of the first Stokes component was 10% and the satellite intensity reached one-third of the intensity of the main Stokes line. (nonlinear optical phenomena and devices)

International Nuclear Information System (INIS)

Normal state nuclear magnetic resonance studies of the La_3In, La_3Tl compounds have been made in order to investigate the origin of the large temperature-dependent magnetic susceptibility. It is possible to analyse the different contributions to the susceptibility using Knight-shift and relaxation time T_1 measurements of In"1"1"5 and Tl"2"0"5 nuclei. The exchange enhancement of the spin-susceptibility chisub(pd) is of the same order as that found in A-15 compounds and the strong temperature-dependence of chi(T) is attributed to the presence of a peak in the electronic density of states near the Fermi level. The variation of the Knight-shift in the ternary alloys La_3Xsub(1-y)Xsub(y)sup(') is analogous to that observed in the corresponding La_3X phases, on the other hand the Knight-shift in the carbides La_3XC is temperature independent. (author).

British Library Electronic Table of Contents (United Kingdom)

Purpose To evaluate the methods of applicator reconstruction in 3D MR-based planning for brachytherapy of cervical cancer, and to investigate applicator shifts and changes in DVH parameters during PDR treatment. Methods For each application MR scans with applicator in situ were made: three T2-weighted (4.5mm slices) Turbo Spin Echo (TSE) scans and a balanced Steady State Free Precession scan (1.5mm). Three observers tested two applicator reconstruction methods: (A) directly on the bSSFP scan and (B) on a resampled combination of the three T2-weighted scans. For 10 patients MR imaging was repeated on the second day of each PDR fraction to determine applicator shifts and changes in DVH parameters. Results For both applicator reconstruction methods the interobserver variation for the DVH para...

Energy Technology Data Exchange (ETDEWEB)

An adaptive power system stabilizer (APSS) employing a new self-optimizing pole shifting control strategy and its application to a power system are described in this paper. Based on an identified model of the system, the control is computed by an algorithm which shifts the closed-loop poles of the system to some optimal locations inside the unit circle in the z-domain to minimize a given performance criterion. With the self-optimization property, outside intervention in the controller design procedure is minimized, thus simplifying the tuning procedure during commissioning. Also, a new method of calculating the variable forgetting factor in real-time parameter identification is discussed. Studies show that the proposed APSS can provide good damping of the power system over a wide operating range and significantly improve the dynamic performance of the system.

British Library Electronic Table of Contents (United Kingdom)

Abstract A series of small phosphazene ligands with pendant 6-phenyl-2,2--bipyridyl moieties, namely L1 [N3P3(OPh)5(OPhbpyPh)], L2 [N3P3(biph)2(OPhbpyPh)2], L3 [N3P3(tBubiph)2(OPhbpyPh)2], L4 [N3P3(biph)2(OPhbpyPh)Cl] and L5 [N3P3(biph)2(OPhbpyPh)(OPh)] [OPhbpyPh = 4-(4-phenoxy)-6-phenyl-2,2--bipyridine, OPh = phenoxy, biph = 2,2--oxybiphenyl and tBubiph = 4,4--di-tert-butyl-2,2--oxybiphenyl], have been used to synthesise the new cyclometallated palladium(II) and platinum(II) complexes [(L1-H)PdCl], [(L1-H)PtCl], [(L1-H)(PdCl)2], [(L3-H)(PdCl)2], [(L4-H)PtCl], [(L5-H)PtCl] and the rhenium(I) complex [L5Re(CO)3Cl]. Single-crystal X-ray diffraction analysis was performed on the free ligand L2 and the palladium complexes [(L1-H)PdCl] and [(L3-H)(PdCl)2]. In both PdII complexes, the metal cent...

International Nuclear Information System (INIS)

Background: Early detection of cholangiocarcinoma (CC) is very difficult, especially in patients with primary sclerosing cholangitis (PSC) who are at increased risk of developing CC. Purpose: To evaluate "1H magnetic resonance spectroscopy ("1H-MRS) of bile as a diagnostic marker for CC in patients with and without PSC. Material and Methods: The institutional review board approved the study, and all patients gave informed consent. Bile from 49 patients was sampled and investigated using "1H-MRS. MR spectra of bile samples from 45 patients (18 female; age range 22-87 years, mean age 57 years) were analyzed both conventionally and using computerized multivariate analysis. Sixteen of the patients had CC, 18 had PSC, and 11 had other benign findings. Results: The spectra of bile from CC patients differed from the benign group in the levels of phosphatidylcholine, ...

British Library Electronic Table of Contents (United Kingdom)

A novel, one-pot, multicomponent synthesis of 4-arylidene-3-methyl-1-(4-arylthiazol-2-yl)-1H-pyrazol-5(4H)-ones is described using phenacyl bromides, thiosemicarbazide, ethylacetoacetate, and aryl aldehydes. This synthesis involves simultaneous formation of two heterocycles like thiazole and pyrazolone along with condensation of active methylene group by aldehydes via Knoevenagel reaction. The methodology is mild, efficient, and high yielding. GRAPHICAL ABSTRACT[image omitted

UK PubMed Central (United Kingdom)

BackgroundResponse shift theory suggests that improvements in health lead patients to change their internal standards and re-assess former health states as worse than initially rated...Full Text Available

UK PubMed Central (United Kingdom)

Genome-wide studies of bacterial gene expression are shifting from microarray technology to second generation sequencing platforms. RNA-seq has a number of advantages over hybridization-based techniques,...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

A procedure was developed to monitor boundaries within which secondary mining operations can be applied. Principal techniques include instrument and operative-remote observations of earth shifts and aerial photography of displacements on the surface of the trough.

UK PubMed Central (United Kingdom)

BackgroundIn rats, alcohol exposure during the period of rapid brain growth produces long-term changes in the free-running period, photoentrainment and phase-shifting...Full Text Available

UK PubMed Central (United Kingdom)

Kin form important political groups, which change in size and relative inequality with demographic shifts. Increases in the rate of population growth increase the size of kin groups but decrease their...Full Text Available

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A number of fragment ion onsets from the photoionization of CH/sub 3/SCCSCH/sub 3/ and CH/sub 3/SSSCH/sub 3/ have been measured. In addition, our experiment has been converted to a molecular beam source which will increase the precision of our measurements. Exhaustive oxidation of the divalent sulfur to sulfonic acids serves to quench the effects of quadrupolar broadening and thereby allowing for quantitative evaluation of structurally similar sulfonic acids. W/sub 1/2/ are reduced to < 25 Hz at 19 MHz (57,500 Gauss). Electronegative substituents shield the /sup 33/S nucleus perhaps imploying more efficient 2p-3d..pi.. backbonding between sulfur and oxygen. ..cap alpha..-Hetero substituents of sulfonyl groups do not influence the shift of the /sup 33/S to a dramatic extent. The exception is the dianion of thiosulfate compared to the dianion of sulfate. Lanthanide shift reagents, (Eu(fod)/sub 3/), are potentially useful in distinguishing ...

UK PubMed Central (United Kingdom)

Extended-spectrum beta-lactamases (ESBL) constitute a key antibiotic-resistance mechanism affecting Gram-negative bacteria, and also an excellent model for studying evolution in real time. A shift in...Full Text Available

UK PubMed Central (United Kingdom)

BACKGROUND. Diabetes can be effectively treated and monitored in general practice. Postgraduate medical education at a local level is required to support this strategic shift of medical care from hospital...Full Text Available

Science.gov (United States)

Examples are used to demonstrate that a shift in the point of emphasis is necessary with regard to radiation hazard in medicinal X-ray diagnosis. The parameters employed in this study to calculate somatic dose (SD) and somatically significant dose (SSD) m...

UK PubMed Central (United Kingdom)

It has previously been established that muscles become active in response to deviations from a threshold (referent) position of the body or its segments, and that intentional motor actions result from...Full Text Available

UK PubMed Central (United Kingdom)

Social opportunities and work demands have caused humans to become increasingly active during the late evening hours, leading to a shift from the predominantly diurnal lifestyle of our ancestors...Full Text Available

Science.gov (United States)

...competent person shall inspect haulage equipment before each shift. (ii...used. (2) Powered mobile haulage equipment shall have suitable means of... (3)(i) Power mobile haulage equipment, including trains, shall...

Energy Technology Data Exchange (ETDEWEB)

Current projections of the response of the biosphere to global climatic change indicate as much as 50% to 90% spatial displacement of extratropical biomes. The mechanism of spatial shift could be dominated by either (1) competitive displacement of northern biomes by southern biomes, or (2) drought-induced dieback of areas susceptible to change. The current suite of global biosphere models cannot distinguish between these two processes, thus determining the need for a mechanistically based biome model. The model is in an early stage of development and will require several enhancements, including explicit simulation of potential evapotranspiration, extension to boreal and tropical biomes, a shift from steady-state to transient dynamics, and validation on other continents.

International Nuclear Information System (INIS)

We report on a promising approach to high-sensitivity anisotropy measurements using a high-finesse cavity locked by optical feedback to a diode laser. We provide a simple and effective way to decouple the weak anisotropy of interest from the inherent mirror's birefringence whose drift may be identified as the key limiting parameter in cavity-based techniques. We demonstrate a shot-noise-limited phase shift resolution previously inaccessible in an optical cavity, readily achieving the state-of-the-art level of 3x10"-"1"3 rad.

Energy Technology Data Exchange (ETDEWEB)

We calculate the cross section for the resonance scattering of Lyman-..cap alpha.. radiation by spinless nonrelativistic hydrogen atoms in the ground state using a two-level model. A generalization of Dirac's resonance scattering theory is used together with the exact matrix elements for the electromagnetic interaction. In contrast to the usual treatments in which only the dipole approximation for the matrix elements are taken, the shift in position of the resonance is finite and has a value of 75% of the Lamb shift of the n=1 state. Whether this latter fact is significant in renormalization calculations is left open.

International Nuclear Information System (INIS)

We present a protocol for quantum key distribution using discrete modulation of coherent states of light. Information is encoded in the variable phase of coherent states which can be chosen from a regular discrete set ranging from binary to continuous modulation similar to phase-shift keying in classical communication. Information is decoded by simultaneous homodyne measurement of both quadratures and requires no active choice of basis. The protocol utilizes either direct or reverse reconciliation both with and without postselection. We analyze the security of the protocol and show how to enhance it by the optimal choice of all variable parameters of the quantum signal.

CERN Document Server

The coherent $\\omega$-meson photoproduction from nuclei is proposed as a phenomenological method to evaluate the momentum dependence of $\\omega$-meson mass shift and width in nuclear matter. We analyze available data on un-separated coherent and incoherent $\\omega$-meson photoproduction from nuclei and extract the imaginary part of the the complex forward $\\omega{N}$ scattering amplitude, which is proportional to the in-medium $\\omega$-meson width. The accuracy of the currently available data is not sufficient to evaluate the real part of forward $\\omega{N}$ scattering amplitude and reconstruct the momentum dependence of the mass shift of the $\\omega$-meson.

International Nuclear Information System (INIS)

This paper describes a semi-empirical calculation of the air-broadened half-widths and the air pressure-induced frequency shifts for the H_2"1"6O isotopologue. This semi-empirical calculation is based on fits of several recent high-quality measurements and theoretical calculations to the first-order terms in the expansion of the complex Robert-Bonamy (CRB) equations, which yields a second- and first-order polynomial function of the differences in the upper- and lower-state vibrational quantum numbers for the half-width and line shift, respectively. The aim of this work was to obtain a complete set of air-broadened half-widths and air pressure-induced frequency shifts for transitions of H_2"1"6O present in the HITRAN database from microwave to the visible in order to supplement the observed and calculated values. For around 700 sets of rotational quantum numbers (J"'K_a"'K_c"'<-J"''K_a"''K_c"''), semi-empirical ...

International Nuclear Information System (INIS)

Research highlights: ? Mathematical model represents a power system which consists of synchronous machine connected to infinite bus through transmission line. ? Power system stabilizer was designed based on optimal pole shifting controller. ? The system performances was tested through load disturbances at different operating conditions. ? The system performance with the proposed optimal pole shifting controller is compared with the conventional pole placement controller. ? The digital simulation results indicated that the proposed controller has a superior performance. -- Abstract: Power system stabilizer based on optimal pole shifting is proposed. An approach for shifting the real parts of the open-loop poles to any desired positions while preserving the imaginary parts is presented. In each step of this approach, it is required to solve a first-order or a second-order linear matrix Lyapunov equation ...

Energy Technology Data Exchange (ETDEWEB)

Comparative studies of flocculent and grand-design spirals suggest that density waves are not the predominant trigger of star formation in most galaxies. Implications for chemical evolution are profound. It may be possible to ignore the details of the spiral-wave phenomenon in research aimed at unifying the chemical properties of spiral disks. 16 references.

UK PubMed Central (United Kingdom)

Simultaneous or prior exposure to one chemical may alter the concurrent or subsequent response to another chemical, often in unexpected ways. This is particularly true when the two chemicals...Full Text Available

Science.gov (United States)

An approach to generate mimics of phosphorylated serine proteins chemically through site-specific sulfonation of cysteine is presented. This chemical modification is reversible in the presence of reducing agent and therefore is analogous to the kinase/phosphatase system used in nature. PMID:21717004

Science.gov (United States)

The Molecular Genetics and Carcinogenesis Section conducts studies using human epithelial cells to assess: activation of proto-oncogenes by chemical and physical carcinogens; inactivation and dysregulation of tumor suppressor genes by chemical and physical

UK PubMed Central (United Kingdom)

Immunomodulation by environmental chemical contaminants and the role immune parameters play in toxicity and risk assessment studies is of increasing concern. Although considerable evidence has indicated...Full Text Available

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

UK PubMed Central (United Kingdom)

The existence of thresholds for toxicants is a matter of debate in chemical risk assessment and regulation. Current risk assessment methods are based on the assumption that, in the absence of sufficient...Full Text Available

International Nuclear Information System (INIS)

The status of development and commercialization of a modified 9 Cr-1 Mo alloy is presented. The alloy is modified by the addition of 0.06 to 0.10% Nb and 0.18 to 0.25% V. The alloy is recommended for use in the normalized and tempered condition (1040"0C for 1 h, air cooled to room temperature; 760"0C for 1 h, air cooled to room temperature). Heat treatment, Charpy impact, tensile, and creep properties of the alloy are described in detail along with a brief description of other properties. The modified alloy has creep strength that exceeds that of standard 9 Cr-1 Mo and 2 1/4 Cr-1 Mo steels for the temperature range from 427 to 704"0C. The total-elongation and reduction-of-area values for all test temperatures and rupture times up to 22,500 h exceed 15 and 70%, respectively. The estimated design allowable stresses for this alloy are higher than those for standard 9 Cr-1 Mo and 2 1/4 Cr-1 Mo steel. At ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

In the reaction sup(nat)Ag + /sup 40/Ar (285 MeV) there have been measured the energy spectra of the isotopes of elements from H to Cl at an emission angle of 40/sup 0/, the energy spectra and angular distributions of /sup 1/H, /sup 2/H, /sup 3/H, and /sup 4/He, and the angular distributions of Li, Be, B, and C. The contribution from multinucleon transfer reactions to the formation of light charged particles is discussed.

Energy Technology Data Exchange (ETDEWEB)

Decomposition yields of tetracycline hydrochloride (TC.HCl) and chlorotetracycline hydrochloride (ClTC.HCl) in methanol solution saturated with Ar or N/sub 2/O were determined. Rate constants of the reaction esub(s)/sup -/ with some antibiotics were obtained. It was demonstrated by /sup 1/H NMR that the radical formed by degradation of 7-C-Cl group is recombined with the H atoms leading to ClTC.HCl being converted into tetracycline hydrochloride (TC.HCl).

International Nuclear Information System (INIS)

The wide-angle spectra of the 134-MeV (p,n) reaction on "4"8Ca, "5"4Fe, "8"8Sr, and "2"0"8Pb are each dominated by the excitation of a single state at low excitation energy. These excitations correspond to the ''0h#omega#'' stretched states and are seen to be fragmented much less than ''1h#omega#'' stretched states in medium- and heavy-mass nuclei. The normalization factors required for comparison with distorted-wave impulse-approximation calculations are >0.50 and indicate that these are the purest particle-hole states known in these nuclei.

Energy Technology Data Exchange (ETDEWEB)

We labelled Lipiodol with yttrium-90 and analysed the biodistribution in rats after intrahepatic arterial injection. An RP-18 column was used to separate {sup 90}Y from strontium-90. {sup 90}Y was retained on the column, which had been pretreated with yttrium-selective extraction reagent, di(2-ethylhexyl) phosphate, while {sup 90}Sr was washed out. A hexadentate nitrogen-donor chelating ligand N,N,N`,N`-tetrakis(2-benzymidazolylmethyl)-1,2-ethanediamine (EDTB) was synthesized by condensation of 1,2-benzenediamine and ethylene diamine tetra-acetic acid (EDTA). Lipiodol was covalently conjugated with EDTB. The final product was obtained by eluting the retained {sup 90}Y from the RP-18 column with EDTB-Lipiodol. Sixteen male rats (Sprague-Dawley) were sacrificed at 1 h, 24 h, 48 h and 72 h (four rats at each time) after injection of approximately 0.1 mCi {sup 90}Y-Lipiodol via the hepatic artery. Samples of liver, spleen, muscle, lung, kidney, ...

International Nuclear Information System (INIS)

Published in summary form only.

International Nuclear Information System (INIS)

Short communication.

KoreaScience (Korea)

Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Abstract Not Provided

International Nuclear Information System (INIS)

... chemical reactions high temperature lattice parameters microhardness

International Nuclear Information System (INIS)

Short communication.

Czech Academy of Sciences Repository

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International Nuclear Information System (INIS)

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KoreaScience (Korea)

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KoreaScience (Korea)

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KoreaScience (Korea)

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Energy Technology Data Exchange (ETDEWEB)

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Energy Technology Data Exchange (ETDEWEB)

A multivariate adaptive power system stabilizer is proposed. The advantages of using coordinated governor and excitation control are discussed, and the problems associated with constant parameter power system stabilizers (CPSS) are highlighted. The proposed multi-input multi-output (MIMO) power system stabilizer can coordinate the governor and excitation control and can overcome the problems associated with CPSS in power system stabilization. Selective multivariable state modelling, identification and control methods are investigated and the MIMO least squares technique with variable forgetting factor is used for system identification, guaranteeing good parameter tracking after a disturbance. Two multivariable self-tuning algorithms are investigated, the generalized minimum variance control and pole-shifting control algorithms. The multivariable self-searching pole-shifting algorithm is developed. Models of a single machine connected to an ...

Energy Technology Data Exchange (ETDEWEB)

The isotope shifts of the levels 5p/sup 2/ /sup 1/D/sub 2/, /sup 1/S/sub 0/ and 5sns /sup 1/S/sub 0/(n = 7,8) of strontium have been measured between the isotopes 84, 86, 87 and 88 in two-photon transitions from the ground state, using two lasers with different wavelengths. These levels occur below the beginning of the Rydberg series, and are known to exhibit very strong configuration mixing. Mass and field isotope shifts are calculated ab initio by means of the MCHF method for these levels and 5s4d /sup 1/D2, 5s6s /sup 1/S/sub 0/. The qualitative agreement between theory and experiment confirms the necessity of taking into account the mixing (up to 50%) with both the 5p/sup 2/ and 4d/sup 2/ perturbers in the wavefunction expansions.

International Nuclear Information System (INIS)

Production treatment chemicals represent a diverse collection of chemical classes, added at various points from the wellhead to the final flotation cell, to prevent operational upsets and enhance the separation of oil from water. Information in the literature indicates that while many treatment chemicals are thought to partition into oil and not into the produced water, there are cases where a sufficiently water soluble treatment chemical is added at high enough concentrations to suggest that the treatment chemical may add to the aquatic toxicity of the produced water. A study was conducted to evaluate the potential effect of production treatment chemicals on the toxicity of produced waters using the US EPA Seven-day Mysidopsis bahia Survival, Growth and Fecundity Test. Samples of produced water were collected and tested for toxicity from three platforms under ...

International Nuclear Information System (INIS)

Transformation of row material to the consumption goods proceeds by the succession of various technologies using energy and chemicals. Relative contribution of both factors is broadly varied. The chemical reagents are not per se consumption goods and their production is auxiliary. Maximal usage of chemicals is observed in conventional technologies. On the contrary radiation technology does not need chemicals. Therefore usage of radiation technology leads to diminution of chemical processing and hence to the attenuation of the technological press on the environment. As examples the radiation technological methods in conversion of coal and biomass are considered. (author).

Energy Technology Data Exchange (ETDEWEB)

The conductive ultra thin films were fabricated from mixed monolayers containing stearic acid and Head-to-Tail poly(3-alkylthiophene). These films exhibited well-defined layered structures as determined by optical absorption and X-ray diffraction measurements. The UV-Vis absorption spectra of these films showed lower energy absorption shifts of 48 nm from that of the random poly(3-alkylthiophene)/stearic acid LB films. The blue shift of absorption maximum of the LB film is attributed to the increase of {pi}-conjugation length caused by no steric hindrance of alkyl side chains. The conductivity of the Head-to-Tail poly(3-hexylthiophene)/stearic acid LB films was greatly improved in the range of 67-100 S/cm. (orig.)

Energy Technology Data Exchange (ETDEWEB)

We have determined the nuclear charge radius of 11Li by high-precision laser spectroscopy. The experiment was performed at the TRIUMF-ISAC facility where the 7Li-11Li isotope shift was measured in the 2s to 3s electronic transition using Doppler-free two-photon spectroscopy with a relative accuracy better than 10 5. The accuracy reached in previous experiments on the other lithium isotopes was improved. Most of the isotope shifts measured in the experiment are due to difference in the mass of the nuclei but small contributions are produced by the change in proton distribution, QED and relativistic effects have to be taken into account as well. By comparing the experimental results with sophisticated atomic calculations of the mass dependent effect the nuclear charge radii of the lithium isotopes are found to decrease monotonically from 6Li to 9Li while the nuclear charge radius of 11Li is about 11% larger than that of 9Li.

Energy Technology Data Exchange (ETDEWEB)

A micromachined vertical actuator utilizing a levitational force, such as in electrostatic comb drives, provides vertical actuation that is relatively linear in actuation for control, and can be readily combined with parallel plate capacitive position sensing for position control. The micromachined electrostatic vertical actuator provides accurate movement in the sub-micron to micron ranges which is desirable in the phase modulation instrument, such as optical phase shifting. For example, compact, inexpensive, and position controllable micromirrors utilizing an electrostatic vertical actuator can replace the large, expensive, and difficult-to-maintain piezoelectric actuators. A thirty pound piezoelectric actuator with corner cube reflectors, as utilized in a phase shifting diffraction interferometer can be replaced with a micromirror and a lens. For any very precise and small amplitudes of motion` micromachined electrostatic actuation may be ...

British Library Electronic Table of Contents (United Kingdom)

PP2B is a Ca2+/calmodulin-dependent protein phosphatase that is ubiquitously expressed in mammals. Among other actions, it is an effector mechanism in NMDA-mediated glutamate neurotransmission as well as a regulator of GSK3? and MAPK signaling cascades. Because all of these mechanisms have demonstrable roles in the control of circadian rhythyms, we hypothesized that PP2B would be a key regulator of rhythm generation and entrainment, and that through inhibition of its phosphatase activity, the circadian system would be affected by immunosuppressant drug therapy. We report here that immunosuppressant drugs (cyclosporin A, FK506) (1) block the circadian responses to light that underlie photic entrainment; (2) produce circadian phase shifts with a characteristic nonphotic profile; and (3) disr...

Energy Technology Data Exchange (ETDEWEB)

This article reports on the UN Environment Programme's (UNEP's) work in supporting the banking and financing sector by creating clean energy finance markets in developing countries. Details are given of the shifting of cash markets to credit, financing solar home systems in India, solar thermal lending in Tunisia, the financing of hotel based solar water heating in Morocco, and the Green Village Credit initiatives in the Yunnan province of China. The importance of providing banks with information needed to gain awareness and experience of renewable energy systems is stressed. The fundamentals of a bank engagement programme, financial catalysts, structuring market oriented approaches, and linking bank lending to policy making are discussed along with the need to shift to credit enhancements to help banks set up their first loan portfolios.

Science.gov (United States)

A detailed study has been performed for estimating the orbital energies, positions and shifts of the Lyman lines of C5+, Al12+ and Ar17+ under strongly coupled plasma with a view to understand such line positions and shifts obtained in laser produced plasma experiments. The effect of strongly coupled plasma has been treated within the Ion Sphere (IS) model. Both non-relativistic and relativistic methods have been used for estimating the spectral properties. Theoretical estimates with IS model of the plasma are in conformity with the results of laser plasma experiments on these highly stripped ions. The experimental data for the systems have also been compared with the theoretical estimates using Debye screening model of the plasma with spatial confinements which gives additional restrictions to the wave functions at finite boundaries.

British Library Electronic Table of Contents (United Kingdom)

We report on characterization of a set of AlGaN/GaN multiple-quantum-well (MQW) photodetectors. The model structure used in the calculation is the p-i-n heterojunction with 20 AlGaN/GaN MQW structures in i-region. The MQW structures have 2nm GaN quantum well width and 15nm AlxGa1-xN barrier width. The cutoff wavelength of the MQW photodetectors can be tuned by adjusting the well width and barrier height. Including the polarization field effects, on increasing Al mole fraction, the transition energy decreases, the total noise increases, and the responsivity has a red shift, and so the detectivity decreases and has a red shift.

International Nuclear Information System (INIS)

A high sensitivity, high bandwidth, two-color interferometer (1064 and 532 nm) has been tested on the Hawk pulsed power generator at the Naval Research Laboratory. The phase resolution is 10"-"5 waves with a rise time of 3 ns, a new capability for diagnosing plasmas, and neutrals in pulsed power experiments. The two-color feature is used to distinguish phase shifts from free (plasma) electrons and bound (neutral and ion) electrons. Simultaneous electron and neutral density measurements were demonstrated in a plasma opening switch (POS) experiment. The ability to measure small phase shifts with fast rise time were demonstrated in a plasma filled diode experiment. The high sensitivity and vibration isolation enable neutral gas distribution measurements from supersonic nozzles used in plasma radiation source experiments. Examples of these measurements and future applications are described. copyright 1997 American Institute of Physics.

Energy Technology Data Exchange (ETDEWEB)

In the United States, estimates show that more than 30,000 hazardous waste disposal sites exist, not including military installations, U.S. Department of Energy nuclear facilities, and hundreds and thousands of underground fuel storage tanks; these sites undoubtedly have their own respective hazardous waste chemical problems. When so many sites contain hazardous chemicals, how does one study the health effects of the chemicals at these sites? There could be many different answers, but none would be perfect. For an area as complex and difficult as the study of chemical mixtures associated with hazardous waste disposal sites, there are no perfect approaches and protocols. Human exposure to chemicals, be it environmental or occupational, is rarely, if ever, limited to a single chemical. Therefore, it is essential that we consider multiple ...

CERN Document Server

Kelvin-Helmholtz instability of short gravity waves is examined in order to explain the recent findings of the decrease in momentum transfer from hurricane winds to sea waves. A three-fluid configuration of a foam layer between the atmosphere and the ocean is suggested to provide signifficant stabilization of the system and shifting the marginal critical wavelength to the shortwave part of the spectrum. It is conjectured that such stabilization leads to the observed drag reduction. The high contrasts in three fluid densities provide a universal mechanism for stabilizing surface perturbations.

Energy Technology Data Exchange (ETDEWEB)

A comparative study by Eu-L/sub III/ X-ray absorption and /sup 151/Eu-Moessbauer spectroscopy is presented for the EuPd/sub 2-x/Au/sub x/ Si/sub 2/ series. Possible ways to distinguish between mixed-valent behaviour and final-state effects in the L/sub II /I-edge spectra are discussed.

Energy Technology Data Exchange (ETDEWEB)

'Within 15 years the energy consumption bottleneck has shifted from the supply side to emissions, i.e. to the waste side.' Reflecting this statement one may realize the importance of lending more weight to energy conservation but may also be induced to critically analyze the corresponding measures. First results of such reflections are given with regard to the payback periods of air pollution abatement measures relative to the additional emissions they cause. (orig.).

Energy Technology Data Exchange (ETDEWEB)

The Si-L X-ray emission spectrum of amorphous hydrogenated silicon (a-Si:H) is presented and discussed. For a qualitative interpretation of the measured spectra cluster calculations of pure Si clusters (SiSi4) and Si clusters with hydrogen (SiSi3H) have been performed using a simplified LCAO-X scheme. In general the level shifts caused by introduction of hydrogen are small compared with the valence band width.

International Nuclear Information System (INIS)

Nuclear magnetic resonance results are presented for a number of NaCl-type compounds and cubic Laves-phase type compounds of uranium, neptunium, and plutonium. Special emphasis is placed on the Knight shift and spin-lattice relaxation time measurements and their interpretation in terms of localized or itinerant pictures of the 5f electrons. (author).

CERN Document Server

Standard methods in non-linear analysis are used to show that there exists a parabolic branching of solutions of the Lichnerowicz-York equation with an unscaled source. We also apply these methods to the extended conformal thin sandwich formulation and show that if the linearised system develops a kernel solution for sufficiently large initial data then we obtain parabolic solution curves for the conformal factor, lapse and shift identical to those found numerically by Pfeiffer and York. The implications of these results for constrained evolutions are discussed.

International Nuclear Information System (INIS)

HIPDM is an "1"2"3I-labeled agent with a distribution in brain reflecting regional perfusion. This compound is neutral and lipid soluble at blood pH and freely crosses the blood-brain barrier. At the lower pH in brain, it picks up a hydrogen ion and becomes positively charged. In this form the molecule is not lipid soluble and it is trapped in brain.

Energy Technology Data Exchange (ETDEWEB)

Systems with small sizes show significant changes compared to the bulk system. These changes are of major interest regarding the size reduction of technological applications. The hydrogen-metal system can be used as a model alloy to study small size features: shifted phase boundaries and sloped isotherms are found and, also, new materials structures. Most features can be attributed to surface- and interface contributions as well as to mechanical stress. (Abstract Copyright [2004], Wiley Periodicals, Inc.)

Energy Technology Data Exchange (ETDEWEB)

Doping of molecular organic materials is important for the functionality of organic electronic devices as e.g solar cells. We investigated the doping behaviour of the acceptor molecules Cl{sub 2}-DCNQI and F{sub 16}CuPc incorporated into a CuPc matrix. In-situ XPS/UPS measurements were performed on coevaporated films. Doping by Cl{sub 2}-DCNQI was not successful. The molecule lost its chlorine atoms during thermal evaporation. For pristine F{sub 16}CuPc layers we observe a strong broadening of the photoemission features with increasing deposition rate indicating different domains probably of different molecular structure of differing electric interface potential. F{sub 16}CuPc incorporated into CuPc shows sharp photoemission features. With increasing F{sub 16}CuPc content Fermi level shifts are observed in both phases. In CuPc the maximum shift is about 0.45 eV towards the HOMO level indicating p-doping. Simultaneously the Fermi level in F{sub ...

Energy Technology Data Exchange (ETDEWEB)

The isomeric composition of bicyclo(3.3.1)nonadienes was investigated by GLC and PMR spectroscopy with silver-lanthanide shift reagents. The absence of stereospecificity in the hydrogenation of 3,7-dimethylenebicyclo(3.3.1)nonane by hydrogen adsorbed on Raney nickel was demonstrated. This is explained by the sequence of the isomerization and then hydrogenation processes.

International Nuclear Information System (INIS)

For the intermetallic system CaCdsub(1-x)Tlsub(x), 0 <= x <= 1, the Knight shift Ksub(s) of the Cd-NMR and the Tl-NMR were calculated as a function of x, Ksub(s) = Ksub(s)(x). The theoretical investigations were performed on the basis of relativistic augmented-plane-wave (RAPW) band-structure calculations for the boundary phases CaCd and CaTl respectively, and by using the rigid band model for the ternary phases. The density of states and the matrix elements of the relativistic hyperfine operator for electron states at the Fermi surface were calculated in detail. The obtained values were compared with nonrelativistic calculations. The effect of using different exchange potentials was studied for Ksub(s)(Tl). For the Cd-NMR the relativistic effects enhance the nonrelativistic results by a factor of about 1.4. The theoretical value for the Knight shift is smaller than the experimental one by a factor of 1.13. The band structure for CaTl ...

International Nuclear Information System (INIS)

This book contains 18 selections. Some of the titles are: Labelling of amphetamines with /sup 123/I: Receptors for amphetamines; New amphetamine derivatives; Potential new approaches for the development of brain imaging agents for single-photon applications; and IM SPECT with the pinhole collimator.

International Nuclear Information System (INIS)

When Congress passed the Emergency Planning and Community Right-to-Know Act of 1986 (EPCRA), it created a number of new reporting requirements for companies that handle toxic chemicals and products containing toxic chemicals. Section 313 of EPCRA requires that certain manufacturers report annual releases to the environment of listed toxic chemicals and chemical categories. Because these manufacturers must know the toxic chemical composition of the products they use to be able to calculate releases accurately, EPA requires some suppliers of mixtures or trade name products containing one or more of the listed section 313 toxic chemicals to notify their customers. The pamphlet explains which suppliers must notify their customers, who must be notified, what form the notice must take, and when it must be sent.

International Nuclear Information System (INIS)

Treatment chemicals are used in all facets of the natural gas industry (NGI) from well development through transmission and storage of natural gas. The multitude of chemicals used, combined with the dozens of chemical manufacturers and/or suppliers has lead to the availability of hundreds of possible chemical products. Because of the widespread use of chemical products and their numerous sources, the NGI needs access to consistent data regarding their effectiveness and potential environmental impacts. The objective of this work was to evaluate the effectiveness and potential environmental impacts of, chemical products used in the NGI. This assessment was initially focused on biocides and corrosion inhibitors and their use in the gas production, storage and transmission facilities, The overall approach was obtain the necessary data on ...

Energy Technology Data Exchange (ETDEWEB)

By means of a global mode analysis of ideal MHD modes for Mercier-unstable equilibria in a planar axis L=2/M=10 heliotron/torsatron system with an inherently large Shafranov shift, the conjecture from local mode analysis for Mercier-unstable equilibria given in [N. Nakajima, Phys. Plasmas 3, 4556 (1996)] has been confirmed and the properties of pressure-driven modes, namely, ballooning modes and interchange modes, inherent to such three-dimensional systems have been clarified. The change of the local magnetic shear due to the Shafranov shift, which is related to toroidicity, reduces the field line bending stabilizing effects on ballooning modes. According to the degree of the reduction of the local magnetic shear by the Shafranov shift, the Mercier-unstable equilibria are categorized into toroidicity-dominant (strong reduction) and helicity-dominant (weak reduction) Mercier-unstable equilibria. Since the local magnetic ...

Energy Technology Data Exchange (ETDEWEB)

This book examines some of the basic principles behind chemical reaction kinetics. Topics considered include the classical trajectory approach to reactive scattering; periodic orbits and theory of reactive scattering; and semiclassical reactive scattering.

Energy Technology Data Exchange (ETDEWEB)

This report summarizes the major activities conducted in the Chemical and Energy Research Section of the Chemical Technology Division (CTD) at Oak Ridge National Laboratory (ORNL) during the period January--March 1997. Created in March 1997 when the CTD Chemical Development and Energy Research sections were combined, the Chemical and Energy Research Section conducts basic and applied research and development in chemical engineering, applied chemistry, and bioprocessing, with an emphasis on energy-driven technologies and advanced chemical separations for nuclear and waste applications. The report describes the various tasks performed within seven major areas of research: Hot Cell Operations, Process Chemistry and Thermodynamics, Molten Salt Reactor Experiment (MSRE) Remediation Studies, Chemistry Research, Separations and Materials Synthesis, Solution ...

UK PubMed Central (United Kingdom)

Regulatory agencies currently rely on rodent carcinogenicity bioassay data to predict whether or not a given chemical poses a carcinogenic threat to humans. We argue that it is always more useful to...Full Text Available

Science.gov (United States)

This study investigated weathering effects on polyvinyl chloride (PVC) based wood plastic composites (WPC), with a focus on the color and structure that is attributed to the material composition. It is directed towards quantifying the main chemical modifi...

British Library Electronic Table of Contents (United Kingdom)

The effect of the water-chemical regime (WCR) on damage sustained by heating surfaces of steam generators at NPP is analyzed. It is indicated that phosphate treatment with minimal excesses of phosphates in the steamgenerator water is the most optimal method of managing the WCR regime of horizontal steam generators.

UK PubMed Central (United Kingdom)

A workshop on alternative toxicological testing methodologies was convened by the Scientific Group on Methodologies for the Safety Evaluation of Chemicals (SGOMSEC) 26-31 January 1997 in Ispra, Italy,...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

International Nuclear Information System (INIS)

Thirty-seven papers were presented at this conference in five sessions. Topics covered include regulation, control and consequences of decontamination; decontamination of components and facilities; chemical and non-chemical methods of decontamination; and TMI decontamination experience.

International Nuclear Information System (INIS)

K_#beta#/ K_#alpha# x-ray intensity ratio of chromium were measured in different chromium compounds. The results show the variation of the intensity ratio as a function of the chemical environment around the metal ion. (author)

Energy Technology Data Exchange (ETDEWEB)

Initial results obtained with a Monte Carlo computer program designed to link initial physical events in irradiated liquid water with subsequent chemical and biological events are presented. 10 refs., 4 figs., 3 tabs.

Energy Technology Data Exchange (ETDEWEB)

Two additional hyperfine components of the interstellar radical C3H were detected. In addition, methanol was discovered in interstellar clouds. The abundance of HCCN and various chemical isomers in molecular clouds was investigated.

UK PubMed Central (United Kingdom)

Model systems to study the effects of chemicals of environmental concern on bacterial and parasitic diseases as well as the immunosurveillance and destruction of transplantable tumor cells were described...Full Text Available

Science.gov (United States)

Methods of acidizing a subterranean well formation, acidizing compositions, and sequestering additives for preventing the precipitation of metal compounds in the formation are described. Use of the methods and chemicals described should lead to improved formation permeability as compared to use of previous methods and chemicals. 12 claims.

International Nuclear Information System (INIS)

For better understanding and proper use of organic chemicals addition data are needed, including kinetic data on the scavenging reactions in actual cycles, data on ambient temperature stability and decomposition, sampling and analsyis information, data on effects in a case of fire, and more corrosion data. Use of these chemicals for layup of boilers and other equipment needs to be evaluated for each application. After a preliminary evaluation, such as outlined in this report, every new water treatment chemical should be evaluated in at least two month test in actual steam cycle. (orig.).

International Nuclear Information System (INIS)

... thermal power plants thermal reactors water cooled reactors WATER

KoreaScience (Korea)

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International Nuclear Information System (INIS)

... carrier-free isotopes chemical preparation gamma spectra isotope production

KoreaScience (Korea)

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Energy Technology Data Exchange (ETDEWEB)

Several possibilities of the use of molecular models in quantum-chemical investigations of the structure of defect centers on the surfaces of oxides on nontransition elements have been illustrated. There has been a special discussion of the assumption of the local nature of the chemical interactions in these systems, which underlies such an approach, and of the consequent laws governing the formation of their lattices in the example cases of zeolites, kaolinites, and comparable boron- and aluminum-containing oxides. A quantum-chemical interpretation of the body of experimental data from investigations of the dehydroxylation of H forms of zeolites has been given. The structure of the Lewis acid centers formed as a result, and their chemisorption properties, have been discussed.

Energy Technology Data Exchange (ETDEWEB)

MINEQL is a subroutine package to calculate equilibrium composition of an aqueous system, accounting for mass transfer.

International Nuclear Information System (INIS)

The brochure contains information about the Emergency Planning and Community Right-to-Know Act. This law establishes a structure at the state and local levels to assist communities in planning for chemical emergencies and requires facilities to provide information on various chemicals present in the community. The Act requires that this information be made available to the public. One of the requirements concerns the reporting of annual releases of toxic chemicals to the air, water, and land. These provisions are outlined in Section 313 which mandates annual release reporting for over 300 chemicals.

Science.gov (United States)

No abstract available.

International Nuclear Information System (INIS)

Chemical effects of L X-ray intensity ratios in niobium and molybdenum compounds were studied by electron and proton bombardments. L_#gamma#_1 X-rays which involve transition of 4d electrons of the valence shell were found to be sensitive to the chemical environment. The L_#gamma#_1/L_#beta#_1 X-ray intensity ratio increased with an increase of the 4d electron occupation of niobium or molybdenum in niobium or molybdenum compounds, showing that the chemical effects can be ascribed to the 4d electron behavior of the metallic atom in its compounds. (orig.).

International Science & Technology Center (ISTC)

Development of a Comprehensive Decontamination Database and an Absorption-Electrochemical Metal Surface Decontamination Technique Combining Chemical and Electrochemical Process

Energy Technology Data Exchange (ETDEWEB)

This study compares the microstructure and mechanical properties of plain and 0.9 or 3.6 wt% VC- or Cr{sub 3}C{sub 2}-doped WC-12 wt% Co hardmetals with 40 wt% NbC, prepared by pulsed electric current sintering (PECS) in the solid state for 4 min at 1240 deg. C and conventional pressureless liquid phase sintering (CS) for 1 h at 1420 deg. C. The addition of VC or Cr{sub 3}C{sub 2} was found to inhibit grain growth of the residual WC grains, whereas the size of the solid solution (Nb,W,V/Cr)C grains was hardly influenced. The type of grain growth inhibitor and densification temperature however, strongly influenced the composition of the NbC solid solution formed, which was thermodynamically and experimentally assessed.

Energy Technology Data Exchange (ETDEWEB)

The Kernel Polynomial Method (KPM) has been successfully applied to tight-binding electronic structure calculations as an O(N) method. Here the authors extend this method to nonorthogonal basis sets with a sparse overlap matrix S and a sparse Hamiltonian H. Since the KPM method utilizes matrix vector multiplications it is necessary to apply S{sup {minus}1}H onto a vector. The multiplication of S{sup {minus}1} is performed using a preconditioned conjugate gradient method and does not involve the explicit inversion of S. Hence the method scales the same way as the original KPM method, i.e. O(N), although there is an overhead due to the additional conjugate gradient part. The authors show an application of this method to defects in a titanate/platinum interface and to a large scale electronic structure calculation of amorphous diamond.

British Library Electronic Table of Contents (United Kingdom)

A series of novel triazolinones were synthesized and their structures were characterized by 1H NMR, elemental analysis and single-crystal X-ray diffraction analysis. The herbicidal activities were evaluated against Echinochloa crusgalli (L.) Beauv., Digitaria adscendens, Brassica napus and Amaranthus retroflexus. The herbicidal activity data indicated that the title compounds had higher activities with substituted benzyl group moieties than with other groups such as sulfonyl, alkyl, etc. To further investigate the structure-activity relationship, comparative molecular field analysis was performed on the basis of herbicidal activity data. Both the steric and electronic field distributions of comparative molecular field analysis are in good agreement in this work. The results showed that a b...

British Library Electronic Table of Contents (United Kingdom)

An amphiphilic azobenzene diblock copolymer {2-[4-(4-methoxy phenyl azo)phenoxy]hexyl acrylate co-acrylic acid} was synthesized via reversible addition-fragmentation chain transfer polymerization in a hydrothermal reactor. The products were characterized by 1H-NMR, DSC, GPC and UV-Vis spectroscopy. Different self-assembly behaviors of this amphiphilic diblock copolymer in different organic solvent with different water content were investigated. In THF/H2O solution, the diblock copolymer self-assembled into spheres and the spheres would then change to vesicles with smaller size by increasing the volume of H2O. However, in DMSO/H2O solution, the sizes and morphologies of the self-assembled spheres would not change significantly with an enhanced amount of H2O. Photochromic behaviors of the am...

International Nuclear Information System (INIS)

Here we reported a two-step procedure for preparing a novel polymeric based solid-solid phase change heat storage material. Firstly, a copolymer monomer containing a polyethylene glycol monomethyl ether (MPEG) phase change unit and a vinyl unit was synthesized via the modification of hydrogen group of MPEG. Secondly, by copolymerization of the copolymer monomer and phenyl ethylene, a novel polymeric based solid-solid phase change heat storage material was prepared. The composition, structure and properties of the novel polymeric based solid-solid phase change material were characterized by IR, "1H NMR, DSC, WAXD, and POM, respectively. The results show that the novel polymeric based solid-solid phase change material possesses of excellent crystal properties and high phase change enthalpy.

Energy Technology Data Exchange (ETDEWEB)

Acute {gamma}-irradiation of rats at doses of 100 and 270 Gy stimulates lipid synthesis and changes the lipid composition of liver cell organelles. The content of cholesterol and cholesterol esters in microsomes increased at 100 Gy and decreased at 270 Gy, with total phospholipid content remaining unchanged. The lipid content in mitochondria decreased considerably 1 h after irradiation at 270 Gy. This change was significantly less pronounced 47 h later. Under chronic {gamma}-irradiation (0.129 Gy/day), cholesterol and cardiolipin in mitochondria increased. The changes in lipid content caused by acute irradiation are presumed to be related to activated synthesis of lipids in the liver. The modification of the lipid content of mitochondria observed in chronically irradiated rats may indicate that energy-metabolizing liver cell systems are involved in the adaptation to irradiation.

British Library Electronic Table of Contents (United Kingdom)

An aliphatic thiol ligand of CuInS2/ZnS core/shell quantum dots is replaced with a hydroxyl-terminated thiol ligand by utilizing `on-off state' of ligands during growth stage of the quantum dots. After the ligand-exchange, negligible differences were observed on both photoluminescence spectrum and luminescent quantum efficiency. The reason for the high retention of luminescent efficiency comes from no local agglomeration and no surface deterioration of QDs. It is also observed that 70% of initial ligands are exchanged by the replacing ligand, determined by FT-IR and 1H NMR. The proposed method provides the quantum dots with an excellent dispersibility in polar solvents, supported by identical luminescence decay characteristics of the QDs.

British Library Electronic Table of Contents (United Kingdom)

A novel heteropolyanion-based ionic hybrid was prepared by combining the divalent ionic liquid (IL) cation of 1,1'-(butane-1,4-diyl)-bis(3-methylimidazolium) with the Keggin-structured V-containing heteropolyanion, and characterized by ^1H NMR, FT-IR, ESI-MS, XRD, SEM, TG, BET surface area, melting point, and elemental analysis. Its catalytic activity was evaluated in the hydroxylation of benzene with aqueous H2O2, including the testing of the influence of organic cations, catalytic reusability and optimization of reaction conditions. This hybrid is characterized to be semi-amorphous nanoparticles with a IL-like composition. The hybrid catalyst leads to the liquid-solid biphasic reaction system for hydroxylation of benzene with H2O2, presenting such advantages as high catalytic activity, c...

British Library Electronic Table of Contents (United Kingdom)

A series of [60]fullerene-substituted phenylalanine (Baa) and lysine derivatives have been prepared by the condensation of 1,2-(4prime-oxocyclohexano)fullerene with the appropriately protected (4-amino)phenylalanine and lysine, respectively. Conversion of the imine to the corresponding amine is achieved by di-acid catalyzed hydroboration. The reduction of the imine is not accompanied by hydroboration of the fullerene cage. The [70]fullerene phenylalanine derivative has also been prepared as have the di-amino acid derivatives. The compounds were characterized by MALDI-TOF mass spectrometry, UV/Vis spectroscopy, and cyclic voltammetry. 1H and 13C NMR spectroscopy allowed the observation of diastereomers. Fullerene-substituted peptides may be synthesized on relatively large scale by solid-pha...

British Library Electronic Table of Contents (United Kingdom)