International Nuclear Information System (INIS)

Selected derivatives of cyclophosphamide (CP) metabolites were synthesized and the solution chemistry of each was studied by "3"1P nuclear magnetic resonance (NMR) spectroscopy under a standard set of reaction conditions at physiological pH (7.4) and temperature (37"0C). Complementary "2H and "1"3C NMR spectral data was obtained using isotopically ("2G and "1"3C) enriched CP metabolites. The CP derivatives were synthesized by the ozonolysis of substituted 3-butenyl phosphorodiamidates, and were isolated as analogues of either cis and trans 4-hydroperoxy-CP or aldophosphamide (AP). The relative ratios of the tautomeric species, 4-hydroxy-CP and AP, and their half-lives (T/sub 1/2/) were measured by "3"1P NMR spectroscopy. The influence of CP metabolites on perfused U-937 cells, a CP-sensitive human lymphoma, was observed by high resolution "3"1P ...

International Nuclear Information System (INIS)

This review describes the basic theory and some recently developed techniques for the study of quadrupole nuclei with half integer spins in powder materials. The latter is connected to the introduction of the double rotation (DOR) by A. Samoson et al. (1) and to the introduction of the multiple quantum magic-angle spinning (MQ MAS) technique by L. Frydman et. al. (2). For integer spins, especially the solid-state deuterium magnetic resonance, we refer to the review of G.L. Hoatson and R.L. Vold: ''"2H-NMR Spectroscopy of Solids and Liquid Crystals'' (3). For single crystals we refer to O. Kanert and M. Mehring: ''Static quadrupole effects in disordered cubic solids''(4) and we would like also to mention the ''classic'' review of M.H. Cohen and F. Reif: ''Quadrupole effects in NMR studies of solids'' (5). Some more recent reviews in the field under study are D. ...

Energy Technology Data Exchange (ETDEWEB)

A detailed kinetic study of the epoxidation of 1-octene with hydrogen peroxide catalyzed by Pt(II) complexes is reported. The two systems analyzed were (diphoe)Pt(CF/sub 3/)(OH)/1-octene/H/sub 2/O/sub 2//THF and ((diphoe)Pt(CF/sub 3/)(CH/sub 2/Cl/sub 2/))BF/sub 4//1-octene/H/sub 2/O/sub 2//H/sub 2/O/CH/sub 2/Cl/sub 2/. Rate data were determined with GLC from epoxide formed vs time plots. Evidence for many of the organometallic intermediates and the individual steps involved was gained from IR studies, /sup 19/F NMR studies, and especially designed experiments including studies of the acidity effect. In both cases the kinetic analysis suggests a mechanism in which the actual oxidant is a PtOOH species that interacts with a Pt-olefin complex in the oxygen-transfer step (second-order dependence on platinum). 29 references, 12 figures, 3 tables.

International Nuclear Information System (INIS)

The paper studies the effect of crystal structure of LiNbO_3 monocrystals on NMR spectra of "7 Li and "9"3 Nb. Models of defect structure are analyzed via comparison of NMR experimental spectra and gradients of electrical field predicted on the basis of the calculations on "7 Li and "9"3 Nb nuclei using the relevant model. It is shown that no one of the main models of lithium niobate defect structure explains the peculiarities of NMR spectra. Conclusions are made about the independence of the reasons of occurrence of NMR additions lines "7 Li and "9"3 Nb, as well as, about links of "9"3 Nb NMR weak additional lines with the ranges of a different crystalline phase that may form while growing. 18 refs., 2 figs., 3 tabs.

Energy Technology Data Exchange (ETDEWEB)

The known biological functions of RNA have expanded in recent years and now include gene regulation, maintenance of sub-cellular structure, and catalysis, in addition to propagation of genetic information. As for proteins, RNA function is tightly correlated with structure. Unlike proteins, structural information for larger, biologically functional RNAs is relatively limited. NMR signal degeneracy, relaxation problems, and a paucity of long-range {sup 1}H-{sup 1}H dipolar contacts have limited the utility of traditional NMR approaches. Selective isotope labeling, including nucleotide-specific and segmental labeling strategies, may provide the best opportunities for obtaining structural information by NMR. Here we review methods that have been developed for preparing and purifying isotopically labeled RNAs, as well as NMR strategies that have been employed for signal assignment and structure ...

International Nuclear Information System (INIS)

An attempt to determine lysozyme hydration by employing a proton nuclear magnetic resonance (NMR) spin-echo technique and to correlated such measurements with the 20 "0C sorption equilibrium data is made. Determinations of specific site hydration for lysozyme, as well as proton NMR transverse relaxation rates for five different types of water populations in the lysozyme-water system, are presented over the whole range of lysozyme concentrations. The proton spin-echo NMR results are consistent with a three-component analysis of the sorption isotherm up to 70% water content, above which two additional water populations are identified by 360-MHz proton NMR spin-echoes. On the basis of the proton NMR results, a major component (III) of the lysozyme sorption isotherm is assigned to the water trapped between lysozyem molecules, whose relaxation rate is increased by diffusion barriers. The ...

International Nuclear Information System (INIS)

Lithium tetrachloroaluminate solutions in thionylchloride, methylacetate and their mixtures are studied by "7Li and "2"7Al NMR. It is found that introduction of methylacetate in the LiAlCl_4-SOCl_2 system results in a change of lithium tetrachloroaluminate formation constant. In the ternary system, Li"+ is solvated by methyl-acetate after complete destruction of tetrachloroaluminate anion. Refs. 9, figs. 2.

UK PubMed Central (United Kingdom)

Interactions of myristic acid with bovine serum albumin were studied by 13C NMR spectroscopy at 50.3 MHz using 90% isotopically substituted [1-13C]-, [3-13C]-, and [14-13C]myristic acids, either individually...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

An assessment is made of the biological effects and physical hazards of static and time-varying fields associated with the NMR devices that are being used for clinical imaging and in vivo spectroscopy. A summary is given of the current state of knowledge concerning the mechanisms of interaction and the bioeffects of these fields. Additional topics that are discussed include: (1) physical effects on pacemakers and metallic implants such as aneurysm clips, (2) human health studies related to the effects of exposure to nonionizing electromagnetic radiation, and (3) extant guidelines for limiting exposure of patients and medical personnel to the fields produced by NMR devices. On the basis of information available at the present time, it is concluded that the fields associated with the current generation of NMR devices do not pose a significant health risk in themselves. However, rigorous guidelines must be ...

UK PubMed Central (United Kingdom)

The bioenergetic capacity of skeletal muscle in a 17-year-old patient with a severe defect in complex III of the electron transport chain has been examined by 31P NMR measurements of the molar ratio...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

A general method for stable-isotope labeling of large proteins is introduced and applied for studies of the E. coli GroE chaperone proteins by solution NMR. In addition to enabling the residue-specific {sup 15}N-labeling of proteins on a highly deuterated background, it is also an efficient approach for uniform labeling. The method meets the requirements of high-level deuteration, minimal cross-labeling and high protein yield, which are crucial for NMR studies of structures with sizes above 150 kDa. The results obtained with the new protocol are compared to other strategies for protein labeling, and evaluated with regard to the influence of external factors on the resulting isotope labeling patterns. Applications with the GroE system show that these strategies are efficient tools for studies of structure, dynamics and intermolecular interactions in large supramolecular complexes, ...

Science.gov (United States)

The effect of treatment of Na-forms of zeolites with HCl solutions and of heat treatment of their NH/sub 4/-forms on the stability of aluminum-oxygen tetrahedra has been studied in this work by high-resolution NMR on /sup 29/Si nuclei, using the synthetic zeolites X, Y, and M (mordenite) as the objects of the study. The exchange capacity with respect to Na/sup +/ ions was determined by analyzing the equilibrium solutions after contact of the samples with 0.5 NH/sub 4/Cl solution on a flame photometer. The high-resolution /sup 29/Si NMR spectra of polycrystalline samples were recorded on an SKhR-200 spectrometer with a superconducting solenoid at a frequency of 39.75 MHz with ultrafast mechanical rotation (3 kHz) of the sample at the magic angle to the external magnetic field. The results obtained are given.

UK PubMed Central (United Kingdom)

Despite their structural resemblance, a pair of cyclic halogenated compounds, 1-chloro-1,2,2-trifluorocyclobutane (F3) and 1,2-dichlorohexafluorocyclobutane (F6), exhibit completely different anesthetic...Full Text Available

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.

International Nuclear Information System (INIS)

Conduction properties of Rb"+ ion in Rb-Al-priderite and K"+ ion and Rb"+ ion in (K,Rb)-Al-priderite, were investigated by NMR using "2"7Al in the framework as a probe. Size effect was observed remarkably in the activation energies. Frequency dependence of T_1 in Rb-Al-priderite at a low temperature indicates that the relaxation behavior of "2"7Al in Rb-Al-priderite can be described by the continuum model. Barrier height distributions and 'attempt frequencies' in both samples obtained by a curve-fitting method are discussed in comparison with those of K-Al-priderite. (orig.).

British Library Electronic Table of Contents (United Kingdom)

The effect of complexing agents DTPA and H2C2O4 on the extraction-chemical behavior of Tc, as applied to extractive splitting of U and Pu in the Purex process, was studied. The kinetic relationships of catalytic decomposition of N2H5NO3 under the action of Tc in the presence of these agents were determined. Variation of the ratio of the oxidized and reduced Tc species in the course of this process at various HNO3 concentrations was examined. In the final step of the reaction of N2H5NO3 with Tc in a nitric acid solution, when the reductant content is stabilized, the oxidation of reduced Tc also stops or continues at a considerably lower rate than before stabilization. The presence of DTPA decreases the rate of Tc(IV) oxidation owing to its binding in a complex and decreases the fraction of ...

Energy Technology Data Exchange (ETDEWEB)

This report covers the progress made on the title project for the project period. Four major areas of inquiry are being pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups that determine the reactivity of coals. Special attention is being paid to methods that are compatible with the very high magic angle sample spinning rates needed for operation at the high magnetic field strengths available today. Polarization inversion methods utilizing the difference in heat capacities of small groups of spins are particularly promising. Methods combining proton-proton spin diffusion with {sup 13}C CPMAS readout are being developed to determine the connectivity of functional groups in coals in a high sensitivity relay type of experiment. Additional work is aimed at delineating the role of methyl group rotation in the proton NMR relaxation behavior of coals.

Energy Technology Data Exchange (ETDEWEB)

The authors studied the flow of carbon ({sup 14}C) from CO{sub 2} through sucrose to oligofructans in wheat (Triticum aestivum L.) leaves that had been induced by excision to accumulate fructan. Leaves were either labeled for 30 min and then chased in ambient air for 2 h or labeled continuously for 2 h. Fructans were chromatographed on BioGel P2 column. During continuous labeling, the specific activity was highest in sucrose and decreased for fructans with DP 3 to 5, and each increased linearly with time for 2 h. During the chase period, sucrose specific activity increased for 60 min and then declined while oligofructans gained in specific activity through the 2 h period. After 30 min of labeling, the specific activity of fructose moiety of sucrose was equal to glucose but, in oligofructans, those of ...

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

International Nuclear Information System (INIS)

Six uranyl coordination compounds, UO_2(OH)(PYCA) (1), UO_2(PYCA)_2(H_2O).2H_2O (2), UO_2(PIC)_2 (3), UO_2(H_2O)_2(NIC)_2 (4), UO_2(OH)(HINIC)(INIC) (5), and UO_2(PYTAC)_2(H_2O)_2 (6) were grown as single crystals via hydrothermal synthesis (PYCA - pyrazine-2-carboxylate, PIC - picolinate, NIC - nicotinate, INIC - iso-nicotinate, and PYTAC - 2-(pyridin-4-yl)thiazole-5-carboxylate) to study their optical properties. All six compounds have been identified via single crystal X-ray diffraction and fully characterized via powder X-ray diffraction, infrared spectroscopy, UV-Vis spectroscopy, and fluorescence spectroscopy. Three of the complexes, 1, 3, and 6, represent new structures, and their synthesis and structural characterization is detailed within. The structures of 2, 4, and 5 have previously been ...

British Library Electronic Table of Contents (United Kingdom)

The mechanism of the IndolPhos-Rh-catalyzed asymmetric hydrogenation of prochiral olefins has been investigated by means of X-ray crystal structure determination, kinetic measurements, high-pressure NMR spectroscopy, and DFT calculations. The mechanistic study indicates that the reaction follows an unsaturate/dihydride mechanism according to Michaelis-Menten kinetics. A large value of KM (KM=5.01+-0.16 M) is obtained, which indicates that the Rh-solvate complex is the catalyst resting state, which has been observed by high-pressure NMR spectroscopy. DFT calculations on the substrate-catalyst complexes, which are undetectable by experimental means, suggest that the major substrate-catalyst complex leads to the product. Such a mechanism is in accordance with previous studies on the mechanism...

Science.gov (United States)

The nature of extralattice aluminum and its effect on acidity in zeolites was studied. A series of zeolites (some commercial), dealuminated by various methods, were obtained having Si/Al ratios between 1.5 and 20. These were characterized using volumetric sorption, XRD, AA, NMR, and reaction studies. Samples dealuminated using ammonium hexafluorosilicate were found to contain little or no extralattice aluminum. In contrast, steam-dealuminated zeolites had large amounts of extralattice aluminum. In some cases a significant portion of the extralattice aluminum was unobservable by [sup 27]Al NMR, suggesting the existence of an aluminum species of low symmetry. Proton NMR indicated that all the protons were associated with the lattice aluminum atoms. Depending on the preparation history, different groups of H-Y zeolites exhibited different maxima in catalytic activity as a function of ...

Energy Technology Data Exchange (ETDEWEB)

The surface coverage of amorphous silica gels used in the synthesis of silica polyamine composites has been investigated by 29Si NMR. By diluting the polyamine anchor silane, chloropropyl trichlorosilane, with methyl trichlorosilane it was found that surface coverage could be markedly improved for a range of amine polymers after grafting to the silica surface. The commensurate decrease in the number of anchor points and increase in the number of free amines results in an increase in metal capacity and/or an improvement in capture kinetics. Solid state CPMAS-13C NMR has been employed to investigate the structure and metal ion binding of a series of these composite materials. It is reported that the highly branched polymer, poly(ethyleneimine) (PEI) exhibits much broader 13C NMR resonances than the linear polymers poly(allylamine) (PAA) and poly(vinylamine) (PVA). These results are understood in terms of the low energy ...

Energy Technology Data Exchange (ETDEWEB)

Trichlorfon is an organophosphorus insecticide, which is extensively being used for protection of fruit crops. Trichlorfon is a thermal labile compound, which cannot be easily determined by gas chromatography (GC) and has no suitable group for sensitive detection by high performance liquid chromatography (HPLC). In this study, a {sup 31}P nuclear magnetic resonance ({sup 31}P NMR) has been described for monitoring of trichlorfon without any separation step. The quantitative works of {sup 31}P NMR spectroscopy has been performed in the presence of an internal standard (hexamethylphosphoramide). Limit of detection (LOD) for this method has been found to be 55 mg L{sup -1}, without any sample preparation, and the linear working range was 150-5500 mg L{sup -1}. Relative standard deviation (R.S.D.%) of the method for three replicates within and between days was obtained {<=}9%. The average recovery efficiency was ...

International Nuclear Information System (INIS)

Chitosan was acetylated during 2, 5 and 10 h and physical gels were obtained at different polymer concentrations in N,N-dimethylacetamide containing 5% of LiCl. Acetylation was confirmed by infrared spectroscopy and "1"3C NMR, and degrees of acetylation in the range of 0.82-0.91 were determined by NMR. The O-acetylation degree (0.12-0.15) was exclusively determined by a volumetric method. Rheological studies showed that the storage modulus values were smaller for the more acetylated samples and increased with the temperature and the polymer concentration. All the gels presented storage modulus superior to loss modulus, evidencing more elastic than viscous characteristics. The results obtained in this work suggest a gelation process based on a balance between O and N-acetylation and intermolecular bonds. (author)

Science.gov (United States)

One of the stiffest challenges in structural studies of proteins using NMR is the assignment of sidechain resonances. Typically, a panel of lengthy 3D experiments are acquired in order to establish connectivities and resolve ambiguities due to overlap. We demonstrate that these experiments can be replaced by a single 4D experiment that is time-efficient, yields excellent resolution, and captures unique carbon-proton connectivity information. The approach is made practical by the use of non-uniform sampling in the three indirect time dimensions and maximum entropy reconstruction of the corresponding 3D frequency spectrum. This 4D method will facilitate automated resonance assignment procedures and it should be particularly beneficial for increasing throughput in NMR-based structural genomics initiatives.

International Nuclear Information System (INIS)

Hydrology and hydrogeochemical are auxiliary techniques to valid conceptual hydrogeology an recharge models. Stable isotopes from water trace sources and path flow and Tritium indicates age. This paper is about the use of D 18, D2H y 3H to study the aquifer system on Bajo Cauca antioqueno.

UK PubMed Central (United Kingdom)

A nonperturbing 13C nuclear magnetic resonance (NMR) method was used to monitor the equilibrium distribution of carboxyl 13C-enriched fatty acids (FA) between distinct binding sites on human serum albumin,...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Our major goal of our work has been to develop and use NMR techniques to study how methanogenic archaebacteria deal with osmotic stress with the hope of providing insights into increasing the salt tolerance of other cells. The project has three main sections: (i) in vivo studies of methanogens; (ii) use of [sup l3]C- and [sup l5]N- labeled potential precursors and in vitro analyses of specific label uptake for elucidation of osmolyte dynamics and biosynthetic pathways of osmolytes in these organisms, and isolation of key biosynthetic enzymes; and (iii) collaborative studies on identification of organic solutes in other methanogens.

UK PubMed Central (United Kingdom)

Improved NMR detection of mass limited samples can be obtained by taking advantage of the mass sensitivity of microcoil NMR, while throughput issues can be addressed using multiple, parallel...Full Text Available

UK PubMed Central (United Kingdom)

High resolution of NMR spectroscopic data of biosamples are a rich source of information on the metabolic response to physiological variation or pathological events. There are many advantages...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The authors continued their efforts in studying the mechanism of carbalkoxylation of {sigma}-vinyls bound to platinum(II). In this work, the focus was specifically on the reductive elimination of {alpha},{beta}-unsaturated carboxylic esters form the carbonylated, alkoylated intermediates. Crystal structures of the carbonylated (12) and alkoxylated (13) intermediates were reported. Kinetic and NMR studies indicate that reductive elimination proceeds via a preequilibration involving phosphine dissociation, followed by a rate-determining trans-cis isomerization. 35 refs., 3 figs., 5 tabs.

British Library Electronic Table of Contents (United Kingdom)

Thermal desorption spectroscopy (TDS) was used to study outgassing from polycrystalline SiGe (poly-SiGe), SiC and SiO"2 films used for poly-SiGe-based MEMS thin film vacuum package technology. Primary desorption products were found to be H"2, H"2O and CO"2. The CO"2 outgassing could be correlated with CF"4 plasma interface cleaning used for thick SiGe PECVD, which can leave carbon at the CF"4-plasma-cleaned interface.

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

KoreaScience (Korea)

Full Text Available

Science.gov (United States)

No Abstract Available

Energy Technology Data Exchange (ETDEWEB)

Zeolite Y is the active component of most commercial cracking catalysts. Interaction of H[sub 3]PO[sub 4] with extraframework aluminum of ultra-stable zeolite (USY) leads to the formation of different types of aluminum phosphates, while there is no indication of the formation of SAPO zeotype structures. The total acidity of USY slightly decreases upon the H[sub 3]PO[sub 4] treatment, while the maximum in the distribution of acid strength is shifted to milder acidities. Dealumination of the zeolite and creation of POH sites associated with AIPO[sub 4] are responsible for the modifications observed. 37 refs., 8 figs., 3 tabs.

Energy Technology Data Exchange (ETDEWEB)

Barbiturates substituted at the 5-position with organyltelluroalkyl or organylselenoalkyl groups were prepared by ring annulation of appropriately substituted diethyl malonates with urea or thiourea. The substituted diethyl malonates (phenyltellurobutyl(ethyl), i-propyltelluropropyl(ethyl), i-propyltelluropropyl(allyl), i-propyselenopropyl(ethyl), and phenylselenohexyl(methyl)) were prepared in 55-91% yield by reaction of diethyl omega-bromoalkyl(alkyl)malonates with organyltellurolates or selenolates (RXNa; X = Se, Te) in ethanol/benzene. The following barbiturates were obtained in 28-84% yield: phenyltellurobutyl(ethyl), m.p. 100/sup 0/C; i-propyltelluropropyl(ethyl), m.p. 119/sup 0/C; i-propylselenopropyl(ethyl), m.p. 137/sup 0/C; phenyl-selenohexyl(methyl), m.p. 124/sup 0/C. The 5-substituted thiobarbiturates i-propyltelluropropyl(ethyl)-(m.p. 75/sup 0/C) and i-propylselenopropyl(ethyl)thiobarbiturate (m.p. 83/sup 0/C) were isolated in 32 and 20% yield, respectively. The ...

British Library Electronic Table of Contents (United Kingdom)

A general approach has been designed to synthesize some mononuclear and binuclear cyclometalated platinum(II) complexes, containing aromatic N-donor ligands with the presence of one Cl- trans to carbon. In this way, cyclometalated platinum(II) complex [Pt(C^N)Cl(dmso)], 1, C^N = N(1),C(2prime)-chelated, deprotonated 2-phenylpyridine and dmso = dimethylsulfoxide, was used as a precursor to react with imidazole derivatives (1-methylimidazole, 2a, imidazole, 2b,), monodentate pyridine derivatives (4-methylpyridine, 2c, pyridine, 2d,) and bidentate pyridine derivative (4,4prime-bipyridine, 3 and 4,). Synthesized complexes were fully characterized by using multinuclear NMR spectroscopy (1H, 13C{1H} and 195Pt), correlation NMR spectroscopy (1H-1H COSY, 13C{1H}-1H Heteronuclear Multiple Quantum C...

Energy Technology Data Exchange (ETDEWEB)

Following the successful application of hydrostatic pressure in mechanistic investigations of organic reactions, chemists have launched a vigorous effort to apply this tool to substitution reactions of coordination compounds. The authors began to study pressure effects in the NMR spectra of keton-lanthanide combination with the hope that the increase shifts anticipated might enhance the utility of the method, perhaps even expand its applicability to new classes of compounds. 5-Phenyl- and 5-tert-butyladamantan-2-one, piperidine, tetrahydrofuran, and cyclopentanol exhibited pressure-reduced lanthanide-induced shifts with Eu(fod)/sub 3/; Yb(fob)/sub 3/ and the shielding reagent Pr(fod)/sub 3/ showed the same effect with adamantanone. Solvent variations (CD/sub 2/Cl/sub 2/, CCl/sub 4/) caused minor changes in the magnitude of these shifts but did not reverse any. With the objective of learning whether these effects are due to a suppressed ...

International Nuclear Information System (INIS)

The pozzolanic behaviour of compound-activated red mud-coal gangue has been investigated through TG, DTA, XRD, FTIR and 27Al MAS NMR. From viewpoint of reaction kinetics, it is found that the pozzolanic reaction mechanism of the compound-activated red mud-coal gangue - lime system is clearly consistent with diffusion control up to 14 days, and the reaction rate constant calculated from Jander equation decreases with the increase of CaO addition in the system. The hydration products formed in the red mud-coal gangue - lime systems at ambient temperature are essentially aluminous C-S-H and Ca3Al2O6.xH2O. From TG analysis results, it is thought that the high amount of Ca(OH)2 in the pastes of studied system is not conducive to the continual increase of non-evaporable water content of the hydration products. Of particular interest, 27Al MAS NMR proved to be an effective technique to obtain valuable information of Al[4] in C-S-H ...

International Nuclear Information System (INIS)

Results of our systematic NMR study in high T_c cuprates are reviewed. The antiferromagnetic spin fluctuations (AFSF) decrease in the order of La_1_._8_5Sr_0_._1_5CuO_4. YBa_2Cu_3O_7 and Tl_2Ba_2CuO_6_+_y. 1/T_1 of "6"3Cu in the CuO_2 plane in the normal state follows essentially a Curie-Weiss law at high temperature and T_1T = const. law at low temperature. The temperature dependence of 1/T_1 and the Knight shift together with their impurity effect in the superconducting state strongly suggest d-wave pairing implying the AFSF to be responsible for the occurrence of superconductivity. From the NQR frequency measurement the density of Cu 3d and O 2p holes decreases and increases, respectively, in the order of La, Y and Tl compounds, which is consistent with the change of AFSF. The relation between T_c and #nu#_Q, and their pressure dependence suggest that there exists and optimum value of the ratio of Cu 3d and O 2p hole density to give a ...

Energy Technology Data Exchange (ETDEWEB)

The available experimental data on the specific heat, magnetic susceptibility, magnetization, valence, NMR Knight shift and relaxation rate, and the quadrupolar moment of YbPd{sub 2}Si{sub 2} are examined within the framework of the single-ion Anderson model. Such an analysis has previously given excellent agreement between theory and experiment for numerous other light heavy-fermion compounds, where crystalline fields do not play a dominant role. For YbPd{sub 2}Si{sub 2}, substantial crystalline-field splittings make difficult a quantitative comparison with existing exact solutions of the Anderson model. Inconsistencies with the interpretation that a nearly degenerate ground quadruplet determines the low-temperature thermodynamics are pointed out. It is concluded that at least three of the four Kramers doublets participate in the low-{ital T} properties. These three doublets should have a splitting of the order of the Kondo temperature, i.e., about 100 K. A simple ...

Energy Technology Data Exchange (ETDEWEB)

Monoclonal antibodies (MAbs) 19-9 and 73-3 specific for human colon adenocarcinoma were labelled with a high number of gadolinium atoms. Twenty five DTPA were chelated per MAb, with only slight loss of immunoreactivity. The NMR contrast agent Gd-25 DTPA-MAb 19-9 or 73-3 ((Gd) 17 mumole/kg, (MAb) 60 microM) was injected into nude mice bearing human colon adenocarcinoma (SW948). Tumors were removed 24 hr after injection and T1 was measured in vitro. T1 relaxation time varied according to MAb specificity against tumour targets; T1 decreased 20% for MAb 19-9 and MAb 73-3 with SW948 tumor. Imaging was performed with this model. Very good contrast was obtained 24 hr after Gd-25 DTPA-MAb injection.

Energy Technology Data Exchange (ETDEWEB)

In our evaluation we utilized the Asahi Mark-J NMR-CT system, with a resistive vertical quadrupolar electromagnet (0.1 Tesla) and a proton resonance frequency of 4.5 MHz. Our main imaging methods are the inversion-recovery or IR, saturation-recovery, or SR, and calculated T/sub 1/. Difference, or D images, constructed by subtracting the data of the IR signal from that of the SR signal, have also been obtained in some cases. The system allows averaging of raw data. Hybrid images were constructed from two or more images to obtain clear definition of areas of interest. By using the hybrid image, several tissues of different relaxation times can be shown in the same image. Application in our study of the newly developed hybrid image indicates its importance in the detection and diagnosis of lesion, especially the detection of the differentiation of an edematous lesion from a tumor, and also abnormal fluid collection such as the pleural effusion or ...

British Library Electronic Table of Contents (United Kingdom)

The sycamore lace bug, Corythucha ciliata is a new, invasive pest of Platanus trees in China. Although C. ciliata is often subjected to acute low temperatures in early winter and spring in northern and eastern China, the cold tolerance of C. ciliata has not been well studied. The objectives of this study were to determine whether adults of C. ciliata are capable of rapid cold hardening (RCH), and to compare the benefits of RCH vs. cold acclimation (ACC) in the laboratory. When the adult females incubated at 26^oC were transferred directly to the discriminating temperature (-12^oC) for 2h, survival was only 22%. However, exposure to 0^oC for 4h before transfer to -12^oC for 2h induced RCH, i.e., increased survival to 68%. RCH could also be induced by gradual cooling of the insects at rates ...

International Nuclear Information System (INIS)

The "2H(#alpha#,p#alpha#)n reaction was investigated in a kinematically complete experiment with a #alpha#-beam at energy 27.2 MeV.The "5He excited state was observed and its parameters were determinate.Coincidence spectra were fitted by contribution of sequential decay through the "5He ground and excited states.The best agreement with the data was obtained assuming the following "5He excited state parameters: E_a_n=2.8 MeV #GAMMA#=2.5 MeV.

International Nuclear Information System (INIS)

An analytical electron microscope study is presented on carbonaceous material in two chondritic porous aggregates, W7029* A and W7010* A2, from the Johnson Space Center Cosmic Dust Collection. The finding of well-ordered carbon-2H (lonsdaleite) in the two aggregates suggests that a record of hydrocarbon carbonization may be preserved in these materials. This carbon is a metastable phase resulting from hydrous pyrolysis below 300-350"0C and may be a precursor to poorly graphitized carbons in primitive extra terrestrial materials. (UK).

Energy Technology Data Exchange (ETDEWEB)

The conductance in ferromagnetic Ni nano-wire is quantized in units of 2e{sup 2}/h in the absence of magnetic field, while the units switch to e{sup 2}/h in the magnetic field. The fractional units of 0.7e{sup 2}/h and 1.4e{sup 2}/h with and without magnetic field appear under the application of high bias-voltage. The spin polarization and bias-voltage play an important role in the electric conduction.

International Nuclear Information System (INIS)

This report seeks to address the role of hydrogen bonding with Bronsted acids and bases in proton-coupled electron transfer (PCET) as it pertains to concerted or stepwise pathways of quinone (Q) and hydroquinone (QH_2) electrochemistry. This study was performed using a series of techniques that included cyclic voltammetry (CV), digital simulations, computational chemistry and "1H NMR. Hydrogen bonding was inferred by a decrease in diffusion coefficient (D) values measured using a pulsed gradient echo- (PGE-) "1H NMR technique. Changes of 40.8% and 37.9% in D values were only noted after the addition of two equivalents of acetate to 1,4-hydroquinone (1,4-QH_2) and catechol (1,2-QH_2), respectively. In contrast, the D values for the addition of selected amines (pyridine, N,N-diisopropylethylamine and triethylamine) changed only 3.2% on average. Quantum mechanical calculations were conducted to determine the pK_a of all ...

Energy Technology Data Exchange (ETDEWEB)

Nitrogen is often provided to impoverished overburden dumps through the establishment of legumes. Low indigenous soil nutrient levels, summer drought conditions and an acidic mining overburden represent major obstacles to successful rehabilitation of open-cut coal mining at Collie in southwest Western Australia. In this study, Acacia pulchella, a native Western Australian species often used in rehabilitation of mined lands, was shown to nodulate and grow in coal mining overburden with pH values less than 4.0 under glasshouse conditions. Plant growth (both top and root dry weight), nodule fresh weight, and nodulation success was best at pH near 5.0, a value only slightly lower than the typical soil pH of the native jarrah (Eucalyptus marginata) forest. Acetylene reduction rates were reduced by acidity and ranged from 8.2..mu..m C/sub 2/H/sub 4//g hr at pH 6.77 to 3.0..mu..m C/sub ...

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

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Nuclear magnetic resonance (NMR) techniques coupled with multivariate data analysis were used to conduct monitoring of biochemical changes of black raspberry fruits at different stages of maturation and under various extraction and NMR dissolution solvent conditions: extraction with 50% methanol and D"2O as an NMR dissolution solvent, extraction with 50% methanol and 50% methanol-d"4 as an NMR dissolution solvent, and extraction with 100% ethyl acetate and 100% methanol-d"4 as an NMR dissolution solvent. Partial least-squares discriminant analysis reliably distinguished black raspberry fruits according to the maturation stage, whereby the relative levels of various compounds such as amino acids, organic acids, sugars and phenolic compounds were compared using analysis of variance. Sucrose ...

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Homogeneous nucleation of CaSO{sub 4}{center_dot}2H{sub 2}O (gypsum) based on an optical diagnostic technique was studied within a supersaturation range of 1--4 at 25--90 C. The experiments were carried out using an experimental apparatus consisting of a batch crystallizer with the related measurement devices. Signals of scattered and transmitted light coming from a He-Ne laser source were analyzed to measure the induction period (t{sub ind}), that is, the time delay necessary for homogeneous nucleation to take place. As expected from theory, it was found that t{sub ind} decreases when either temperature or supersaturation increase; from the dependence of t{sub ind} on supersaturation, it was possible to distinguish between the mechanisms of homogeneous and heterogeneous nucleation. From the experimental data relative to homogeneous nucleation, the interfacial tension ({gamma}{sub s}) between CaSO{sub ...

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

International Nuclear Information System (INIS)

Russian (Jul 1974). USSR Buslaev, Yu.A. Petrosyants, SP Tarasov,

International Nuclear Information System (INIS)

... PHYSICAL AND ANALYTICAL CHEMISTRY calibration standards diagrams

British Library Electronic Table of Contents (United Kingdom)

In order to investigate the antioxidant properties of the polysaccharides from the brown alga Sargassum fusiforme, the crude polysaccharides from S. fusiforme (SFPS) were extracted in hot water, and the lipid peroxidation inhibition assay exhibited that SFPS possessed a potential antioxidant activity. Hence, two purely polymeric fractions, SFPS-1 and SFPS-2 were isolated by the column of DEAE (2-diethylaminoethanol)-Sepharose Fast Flow, with their molecular weights of 51.4 and 30.3 kDa determined by high performance gel permeation chromatography (HPGPC). They were preliminarily characterized using chemical analysis in combination of infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies and found to contain large amounts of uronic acids and ?-glycosidical linkages. The antioxida...

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The crystal structure of Ca{sub 2}RuD{sub 6} has been determined by neutron powder diffraction: space group Fm3m, K{sub 2}PtCl{sub 6} structure, as found for other hexahydride salts of group 8 metals with alkaline earth or lanthanide counter ions. No structural phase transition was observed between 340 K and 50 K. The deuterium nuclear quadrupole coupling constant, 54.7 kHz, leads to an ionic character of the Ru-D bond of 76%. The known trends in the behaviour of A{sub 2}MH{sub 6} salts are interpreted in terms of the ionization energies of the cation and the central metal atom.

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Extraction of 25 L fermentation broth of the newly isolated Streptomyces sp. strain TN58 and various separation and purification steps led to the isolation of five bioactive metabolites, namely brevianamide F (C1), reported from a streptomycete for the first time, N?-acetyltryptamine (C2), thiazolidomycin (C3), and two rhamnopyranosides (C4 and C5). These two rhamnopyranosides were produced directly, without precursor addition. The chemical structure of these five active compounds was established on the basis of 1H, 13C/APT and 2D NMR spectra, ESI and EI-MS data, and by comparison with data from the literature. According to the biological studies, we show in this work that the compounds C1, C2, C4 and C5 possess antimicrobial activities.

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The hyperfine splitting in the rotational levels of the C/sub 2/H molecule is calculated as far as N = 10. Line strengths and transition probabilities are determined for permitted transitions with DN = 1, DF = 0, +- 1.

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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 ...

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, ...

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, ...

British Library Electronic Table of Contents (United Kingdom)

To reduce the cost of the formed coke briquettes which can be used as a substitute fuel to the metallurgical coke for the blast furnace from the coke breeze alternative binders and their blends were used. The high temperature behavior was investigated. The binders tested were: the nitrogen blown, air blown coal tar pitch and the blend of air blown coal tar pitch with the phenolic resins blends. The phenolic resin blends were prepared by mixing equal amount of resole and novalac. From the results, nitrogen blowing resulted in the weakest briquettes. The air blowing procedure should be preferred in place of nitrogen blowing for this purpose. When the air blown coal tar pitch was used alone as a binder, the briquettes must be cured at 200^oC for 2h, then carbonized at a temperature above 670^...

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This study was the analyse the relationship between properties of ion nitrided Fe sintered material and parameters of plasma nitriding process. Pure fe sintered materials (relative density : 92%) were fabricated by hot-pressing and nitrided under pulsed DC plasma for 4 hours. The large number of parameters in plasma diffusion treatment allows close control of the process so that surface layers with defined microstructures and properties can be obtained. The number of micropores in nitriding layer can be reduced in pulsed DC plasma by reducing the plasma power and by varying the gas mixture. The phase constitution of compound layer of nitrided Fe sintered material were influenced by gas mixture (N{sub 2} : H{sub 2}) and pulsed ratio (pulse on/off time ratio)

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Improved radionuclide generator include a substantially insoluble salt of a radioactive parent which may be directly packed in column for subsequent elution of the daughter radionuclide. An improved 188Re generator was prepared by reacting a radioactive tungsten (188W) as parent radionuclide incorporated with aluminum chloride to obtain an insoluble radioactive aluminum tungstate matrix. The investigated matrix was characterized on the basis of the chemical composition, IR, thermal analysis and mechanical stabilities. The factors affecting the elution performance were studied such as influence of pH, molar ratio and drying temperature. From the obtained data, the molar ratio W:Al was 1.5:1 at pH?=?4, the matrix dried at 105??C for 2 h. Chromatographic and multichannel analysis has been cur...

International Nuclear Information System (INIS)

Using hydrogen at high pressures of up to 150 bar as an OH scavenger in aqueous MV"2"+ solutions (pH 1) it is possible to differentiate between two kinds of transient formed simultaneously by H-atom attack on methyl viologen. One of them is assigned to an H adduct on the N atom, MV"+H"+, with absorption bands identical to those of the radical cation, MV"+. The MV"+H"+ species deprotonates forming the long-lived radical cation, MV"+. The second type of transient produced is attributed to an H-adduct on the ring carbon, MV"2"+H, decaying by second-order kinetics. The formation of MV"+ by electron transfer from the propan-2-ol radical has been reinvestigated (pH 0 to 7); its absorption spectrum does not change in this pH range. Rate constants and molar extinction coefficients are presented. (U.K.).

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In this article a methodology is presented for studying the influence of the biomass moisture content and the biomass/air ratio on the producer gas composition and on the chemiluminescent emissions during the combustion process. Firstly, a mathematical model based on the thermo-chemical processes inside the gasifier is used to predict the composition of the producer gas as a mixture of CO, CO2, H2, N2, CH4 and H2O gases. Secondly, the predicted composition is introduced into a constant volume combustion bomb (CVCB), which simulates the typical conditions inside the combustion chamber of an internal combustion engine, in order to characterize its combustion under gasoline-type conditions through the instantaneous pressure and the detection of the spontaneous luminous radiation (chemilumines...

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Uridine phosphorylase (UPP) catalyzes the reversible conversion of uridine to uracil and ribose-1-phosphate and plays an important pharmacological role in activating fluoropyrimidine nucleoside chemotherapeutic agents such as 5-fluorouracil and capecitabine. Most vertebrate animals, including humans, possess two homologs of this enzyme (UPP1 & UPP2), of which UPP1 has been more thoroughly studied and is better characterized. Here, we report two crystallographic structures of human UPP2 (hUPP2) in distinctly active and inactive conformations. These structures reveal that a conditional intramolecular disulfide bridge can form within the protein that dislocates a critical phosphate-coordinating arginine residue (R100) away from the active site, disabling the enzyme. In vitro activity measurem...

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The effects of dilute impurity doping on charge-density wave (CDW) structures and gaps in NbSe{sub 3} 1T-TaS{sub 2} and 2H-NbSe{sub 2} have been studied by using a scanning tunneling microscope (STM) operating at 4.2 K. In Fe doped samples of NbSe{sub 3} the STM spectroscopy measurements indicate that the added impurities can significantly shift the CDW energy gaps. In NbSe{sub 3}, Fe reduces both CDW gaps by 25-30%, and produces changes in the conductance structure relative to the pure material. The images of Fe{sub 0.01}NbSe{sub 3} show that all three surface chains in the unit cell still carry a strong CDW modulation with no evident disorder. However, a change in the relative amplitudes of the high and low temperature CDWs is detected. The effects of Co and Ni impurities on the gaps in NbSe{sub 3} have also been studied. While Co increases both by 25-30%, Ni increases only the high temperature gap ...

International Nuclear Information System (INIS)

The information is reported on the kinetics of decomposition of weak hcp "3He-"4He solutions with the starting "3He concentration 0.5#+-#0.1% and 1.20#+-#0.2% under the sample pressure 3.5 to 3.8 MPa before the decomposition. The NMR technique of the prompt control of the phase separation process is developed. To accelerate the metastable phase decomposition, the samples were thermally cycled at temperatures below 100 mK. Using the pulse NMR method, the magnetic susceptibility of "3He nuclei and the spin-lattice T_1 and spin-spin T_2 relaxation times were measured on three samples of the decomposed solid solutions with the starting "3He concentration 0.5% at the pressures 3.53, 3.71 and 3.78 MPa. Above 10 mK the Curie-Weiss constant was two to three times higher than the values typical of bulk bcc "3He of the corresponding density. Below 10 mK the magnetic susceptibility was observed to deviate from the Curie-Weiss law. One of the samples ...

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The use of platinum(II) complexes as tags and probes for biomolecules is indeed advantageous for their reactivities can be selective for certain purposes through an interplay of mild reaction conditions and of the ligands bound to the platinum. The use of {sup 195}Pt NMR as a method of detecting platinum and its interactions with biomolecules was carried out with the simplest model of platinum(II) tagging to proteins. Variable-temperature {sup 195}Pt NMR spectroscopy proved useful in studying the stereodynamics of complex thioethers like methionine. The complex, Pt(trpy)Cl{sup +}, with its chromophore has a greater potential for probing proteins. It is a noninvasive and selective tag for histidine and cysteine residues on the surface of cytochrome c at pH 5. The protein derivatives obtained are separable, and the tags are easily quantitated and differentiated through the metal-to-ligand charge transfer bands which are ...

International Nuclear Information System (INIS)

A triangular antiferromagnet UNi_4B experiences a partially disordered state, in which two-thirds of U 5f moments order in a vertex-like structure and one-third of U 5f moments remain paramagnetic. Magnetization and NMR measurements of UNi_4B have been performed to study the dynamical properties of U magnetic moments in the partially disordered state. The value of the effective moment above T_N derived from the fitting of the Curie-Weiss law suggests a significant crystal field splitting and the Kondo effect. The Weiss temperature was also estimated to be -28 K, which suggests that the exchange interaction is antiferromagnetic. Furthermore, the exchange interaction estimated from the relaxation rate T_1"-"1 above 50 K is 18 K, which is close to the Weiss temperature. These results suggest that the dominant interactions between U moments are antiferromagnetic in the basal plane. The relaxation rate T_1"-"1 decreases abruptly below T_N down to 15 ...

International Nuclear Information System (INIS)

Three major monomeric hemoglobins have been isolated from the erythrocytes of Glycera dibranchiata. Their importance to structure-function studies of heme proteins lies in the fact that they have been shown to possess an exceptional amino acid substitution. In these proteins, the E-7 position is occupied by leucine rather than the more common distal histidine. This substitution alters the polarity of the heme ligand binding environment compared to myoglobin. Due to this, the G. dibranchiata monomer hemoglobins are attracting much attention. However, until now no purity criterion has been developed. Here the authors demonstrate that, for all of the Glycera momomer hemoglobins, multiple line patterns are shown on high-voltage isoelectric focusing (IEF) gels. Most of these lines are shown to be a consequence of heme-related phenomena and can be understood on the basis of changes in oxidation and ligation state of the heme iron. The multiple line pattern does not ...

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Activation reactions of coal reject-derived char (CRC) with CO{sub 2}, H{sub 2}O and air are experimentally studied using a thermogravimetric analysis technique. The experimental kinetic data are treated via kinetic data unification based on the half-time, and the intrinsic rate constants are extracted by the modified Arrhenius plot method. The effect of structural evolution on the overall rate changes is modelled with a modified random pore model and percolation model taking into account the ash content of the coal reject char. It is found that the relative reaction rates for the reaction pairs CO{sub 2}-CRC, H{sub 2}O-CRC and air-CRC are at an increasing order of sequence at a given temperature. The effect of gaseous pressure on the reaction rate is shown to be significant for CO{sub 2}-CRC and H{sub 2}O-CRC reactions. It has shown that both models can predict well the maximum rate and the conversion at which the maximum ...

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A method to achieve NMR of dilute samples in the earth's magnetic field by applying para-hydrogen induced polarization is presented. Maximum achievable polarization enhancements were calculated by numerically simulating the experiment and compared to the experimental results and to the thermal equilibrium in the earth's magnetic field. Simultaneous 19F and 1H NMR detection on a sub-milliliter sample of a fluorinated alkyne at millimolar concentration (1018 nuclear spins) was realized with just one single scan. A highly resolved spectrum with a signal/noise ratio higher than 50:1 was obtained without using an auxiliary magnet or any form of radio frequency shielding.

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In this study, WO{sub 3} thin films were grown on glass substrates using an aqueous solution containing tungstate (NH{sub 4}){sub 2}WO{sub 4} as precursor. The substrate temperature incremented from 250 to 500 deg. C, by steps of 50 deg. C. The structural properties were investigated using XRD, atomic force microscopy and scanning electronic microscopy techniques. Microprobe analyses showed that a balanced stoichiometric composition was obtained for thin films prepared at T{sub s} = 350 and 400 deg. C. The X-ray diffraction analyses showed different structure crystallography in function of the substrate temperature. Moreover, films deposited at 400 deg. C were annealed in air for 2 h at 450 and 500 deg. C, respectively and the structural changes due to heat treatment were studied. Finally, the optical properties of these films were carried out using optical measurements of transmittance T({lambda}) and ...

International Nuclear Information System (INIS)

Reported in this paper are the theoretical and experimental studies, with regard to the effects of radiation between walls, conducted for the improvement of heat transfer characteristics of the circular duct in high temperature heat exchangers that operate through the medium of non-radiating gases at around 1,000"0C. To study the fundamental performance of the heat transfer augmentation, the experiment was carried out using a double tube at temperatures up to 900"0C. The outer tube in a double tube was selectively heated so as to give a uniform heat flux selected of 6.5 x 10"3 and 4.6 x 10"4 kcal/m"2.h, while the inner tube was used as a radiating surface to impart the radiation heat transmitted from the outer tube. Selectively preheated air was caused to flow in an annular passage at an inlet temperature selected within 100"0C to 400"0C and with the Reynolds number of 2.9 x 10"3 to 3.5 x 10"4. The heat ...

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The purpose of the study is to investigate the heat transfer augmentation method for a wavy channel type heat exchanger. Experimental studies were carried out, by installation of flow guide-plates with simple structure, to clarify the effects on the augmentation whether the effects are brought by the flow acceleration or by the increase of intensity of turbulence due to the flow seperation, and to determine optimum shape of flow guide-plates. The shape and dimensions of the experimental apparatus are as follows; channel width H of 30 mm, rectangular section with breadth of 300 mm, wavy duct with a bend angle of 60/sup 0/ and straight pipe of 2H length. Air stream was flowed through the duct with Reynolds number of 1.7 x 10/sup 4/ only. As the results, following conclusions were obtained. (1) Wavy duct with large bend angle and without inserting flow guide-plates could not be expected large effects on ...

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Portuguese 2000 p. 117-118 Brazil Monteiro, Elisabeth EC Tavares,

UK PubMed Central (United Kingdom)

The recent melamine crisis in China has pointed out a serious deficiency...Full Text Available

International Nuclear Information System (INIS)

Portuguese 1998 p. 47 Brazil Silva, Edemilson P. Universidade Federal,

International Nuclear Information System (INIS)

Portuguese 1999 1 p. Brazil Vilegas, Wagner UNESP, Araraquara, SP

Science.gov (United States)

Reproductive status influences cell proliferation and the survival of new cells in the dentate gyrus of adult laboratory-reared and wild female meadow voles; reproductively inactive (RI) females have more proliferating cells and more labeled cells that survive 5 weeks vs. 2 h than reproductively active (RA) females. However, the effect of season has only been studied in a wild sample of male meadow voles and factors such as age and experience that have been shown to influence neurogenesis in the dentate gyrus of adult mammals cannot be controlled in a wild sample. Therefore, we investigated whether reproductive status regulates neurogenesis (cell proliferation and/or the survival of new cells) in the dentate gyrus of laboratory-reared adult male meadow voles so that confounding variables could be controlled. Males were acclimated to a short- or a long-photoperiod to simulate the non-breeding or breeding season, ...

International Nuclear Information System (INIS)

The dominant shrubs were sagebrush and spiny hopsage; the herbs were dominated by cheatgrass and Sandberg bluegrass. Spiny hopsage appeared to be vulnerable to burning and also to damage by off-road vehicular traffic. It appears to have little or no ability to reproduce through seedlings; once the existing plants are killed they are not likely to be replaced, even if seed-producing plants are nearby. The only pure stand of spiny hopsage known to exist on the Hanford Site is on and near study plot 2H. Sagebrush, like spiny hopsage, is killed by burning and by heavy vehicles. Sagebrush is capable of reproducing via seeds, indicating that it is an inherently aggressive species with a capacity to reestablish itself if parent plants are in the vicinity to act as seed sources. Alien, annual plants, especially cheatgrass, were a major contributor to the herbaceous canopy cover in plots 3S, 4S, and 5S. However, native perennial ...

International Nuclear Information System (INIS)

The upper range of the requirement for methionine plus cystine in healthy adults was proposed in 1985 by FAO/WHO/UNU to be 13 mg.kg body wt-1.d-1. To explore the validity of this estimate, five healthy, young adult men were given for 7 d a diet based on an L-amino acid mixture supplying 13 mg methionine.kg-1.d-1 (87 mumol.kg-1.d-1) without cystine. Constant intravenous infusions of L-[2H3-methyl-1-13C]methionine were given on days 5 and 7 while subjects were in the fed and postabsorptive states, respectively. Estimates were made of methionine oxidation, and daily methionine balance was derived from the intake-oxidation data. For the five subjects, methionine balances were -0.9, +0.7, +3.5, -3.1, and -3.8 mg kg-1.d-1, or -6, +5, +23, -21, and -26 mumol.kg-1.d-1. These findings lead to the conclusion that the upper range of the requirement for methionine plus cystine probably exceeds 13 mg.kg-1.d-1 in healthy young adults. The implications of ...

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The kinetics of the oxidative addition of CH/sub 3/I to platinum(II) complexes in aqueous solutions of K/sub 2/PtCl/sub 4/ and KPtCl/sub 3/(C/sub 2/H/sub 4/) have been studied by PMR and GLC. The second-order rate constants for the PtCl/sub 3/(H/sub 2/O)/sup -/ and PtCl/sub 4//sup 2 -/ particles are equal to 400 exp(-2.7 x 10/sup 3//T) and 3.18 x 10/sup 10/ exp(-9.2 x 10/sup 3//T) mole/sup -1/ x liter x sec/sup -1/, respectively. The introduction of a ..pi..-acceptor ligand, viz. ethylene, into the coordination sphere of platinum(II) results in a sharp drop in the rate, probably due to a decrease in the electron density on the platinum atom. According to the PMR data, the product of the oxidative addition of CH/sub 3/I to Zeise's salt is a methyl complex of platinum(IV), is identical to the complex obtained by reacting methyl iodide with K/sub 2/PtCL/sub 4/, and does not contain an olefin.

CERN Document Server

The existence of n-particle n-hole deformed yrare bands in the N=28 isotones is explored using full pf-shell diagonalizations and the Lanczos Strength Function method. We find different 2p-2h and 4p-4h collective bands that, when allowed to mix, more often disappear. Only the 2p-2h yrare band in Cr-52 and the 4p-4h yrare band in Ni-56 survive, and only in this latter case, due to the reduced density of 2p-2h states, can the band be seen as a gamma-cascade.

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This work presents a comparative study of low-alloy steel nitriding for different possible techniques. Active screen plasma nitriding (ASPN) is a successful surface modification method that has many advantages over the conventional DC plasma nitriding (CPN). The corrosion behavior of 30CrNiMo8 low-alloy steel has been examined using anodic polarization tests in 3.5% NaCl solution under varying conditions of ASPN and CPN processes. The process variables included active screen setup parameters, treatment temperature (550 and 580 deg. C), gas mixture (25/75 and 75/25 of N{sub 2}/H{sub 2}) and treatment time (5 and 10 h) in 500 Pa pressure. The structure and phases composition of the compound layer was studied by X-ray diffraction (XRD), microhardness tests, optical microscopy and scanning electron microscopy (SEM). It was observed that ASPN treated samples surface enhanced corrosion resistance while the ...

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Weight loss measurements were performed in 20% and 28% hydrochloric acid at 90/sup 0/C on carbon steel, 22Cr5Ni duplex stainless steel, and two superaustenitic steels - 27Cr31Ni3Mo and 19Cr25Ni4Mo -, in presence of organic substances used singly or mixed. The organic substances examined were quaternary ammonium salts (1-4-pyridyl)-pyridinium chloride hydrochloride, dodecylpyridiniumchloride, benzyldimethylstearylammonium chloride, and dodecyltrimethylammonium bromide), alkynols (1-octyn-3-ol, propargyl alcohol) and trans-cinnamaldehyde. The synergistic effect of potassium iodide on the inhibitive efficiency of the organic substances was studied. The variations of corrosion rate during the test time (normally six hours) were recorded by means of polarization resistance measurements. Polarization curves were also recorded. The results showed that the corrosion rates of the four steels examined can be reduced to less than 1 mg/cm/sup -2/ . ...

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Moessbauer spectra of the Fe(III) compounds (C[sub 2]H[sub 5])[sub 4]NFeX[sub 4] (X = Cl, Br) exhibit the following anomalies above [approx] 260 K: (i) the f-factor drops with respect to normal thermal behavior, (ii) the second-order Doppler shift drops similarly, (iii) the single-line spectrum broadens, becoming asymmetric at room temperature. These phenomena are discussed in relation to possible phase transitions in these systems. (orig.)

British Library Electronic Table of Contents (United Kingdom)

New palladium(II) complexes (2), bearing NHC/TPPTS ligands, (NHC=benzimidazol-2-ylidene; TPPTS=triphenylphosphine-3,3',3''-trisulfonic acid trisodium salt) have been prepared and characterized by elemental analyses and spectroscopic methods. Their ability to catalyze the Suzuki-Miyaura reaction in neat water has been studied at 100^oC. Very high activities have been observed in the coupling of phenylboronic acid with aryl chlorides in the presence of 1% of the catalyst. We have compared the electronic properties of cis-[PdBr2(NHC)(TPPTS)] with the related complexes, [PdX2(NHC)]2 and [trans-PdBr2(NHC)(pdca)] (pdca=pyridine-2,6-dicarboxyic acid) (3) via three different techniques: cyclic voltammetry, thermogravimetric analysis and ^1^3C NMR spectroscopy.

Science.gov (United States)

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

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Potassium dichlorido(l-prolinato)platinate(II), K[PtCl"2(l-pro"?"H)] (1), and chlorido(dimethyl sulfoxide)(l-prolinato)platinum(II), [PtCl(l-pro"?"H)(dmso)] (2), were synthesized by ligand substitution reactions. Both complexes were characterized by ^1H, ^1^3C, and ^1^9^5Pt NMR spectroscopy, elemental analysis, and HR-ESI-MS. The molecular structures of 1 and 2 were determined by single crystal X-ray diffraction, proving bidentate coordinated l-prolinato ligand and SP-4-4 configuration of 2a. With the help of DFT calculations stability of possible isomers of 1 and 2 was studied. A considerable difference in the in vitro cytotoxicity of 1 versus 2a (exchange of one chlorido ligand by dmso) against four human cancer cell lines was found.

International Nuclear Information System (INIS)

Column chromatography of the petroleum ether and chloroformic extracts of Maytenus Forsskaoliana afforded four compounds: friedilin1, B-amyrin 2, B-sitosterol 3 and betulin 4. The structure of these compounds were established on bases of spectral (IR,MS,H and C-NMR)as well as physical data. Antimicrobial activity for extracts indicated weak potency (200ug/ml) while betulin4 showed a pronounced activity (MIC and MBC 20ug/ml).The cytotoxic activity of beutalin4 significantly indicated promising activity (IC50 40ug/ml) on both HeLa and Hep-2 cells. The pharmacological activity of diferent extracts showed sedative effect, slowing respiration, dose -dependent decrease in the arterial blood pressure by 40.1mm Hg (at adose 200mg /kg),decrease in the heart rate 67.3% (at a dose 50mg /kg)and decrease in the body temperature by 4.2C after 2 hrs (at a dose 200mg /kg). (author)

Science.gov (United States)

Isotope separation of Ar, C, /sup 3/He, Kr, Ne, O, and Xe isotopes is reported. TiFeH/sub x/, TiCoH/sub x/, TiCuH/sub x/, and VH/sub x/ were studied using NMR (proton relaxation times). VD/sub x/ and VT/sub x/ were synthesized. The problem of calculating the valence state of Pu is discussed. A series solution to the plutonium (N,H) characteristic equation is suggested. Shipments of /sup 231/Pa, /sup 230/Th, and /sup 229/Th are reported. Separation and processing of /sup 234/U are also reported. Theoretical methods were developed to calculate temperature distributions as functions of water flow rate in liquid thermal diffusion columns. Diffusion coefficients were measured from 300 to 1200/sup 0/K for Kr-Xe and Kr-Ar. New thermal diffusion factors are submitted for Ne-Ar.

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 ...

Energy Technology Data Exchange (ETDEWEB)

A preliminary chemical characterization is presented of phosphate-free aminolipids isolation from Chlorobium limicola f. thiosulfatophilum. The lipid contains no phosphorus, glycerol, sugar, ornithine, or lysine. Ultraviolet absorption and fluorescence spectra indicate that the amino moiety of the lipid is an aromatic heterocyclic compound. Infrared spectra indicate that the lipid is a secondary or tertiary amide, and gas chromatograhic analysis of the hydrolyzed lipid shows that for each 1100 g of lipid, 1 mol of myristic acid (C/sub 14:0/) is linked in an amide bond. Acid hydrolysis of the lipid yields two fluorescent substances, A (ninhydrine positive) and B (negative), in addition to myristic acid. Proton nuclear magnetic resonance (NMR) studies indicate that substance A contains a butyl groups attached to a conjugated ring carbon, two equivalent ethyl groups attached to one or two nitrogen atoms, and two downfield protons (8.4 ppm), ...

Science.gov (United States)

Peroxisome proliferator-activated receptor gamma coactivator-1 (PGC-1), a cold-inducible coactivator of nuclear receptors, stimulates mitochondrial biogenesis and respiration in muscle cells. In the present study, we first cloned a rat PGC-1 gene from a brown adipose tissue cDNA library which encodes a predicted 796-amino-acid protein and exhibits respectively 98% and 95% identity with the mouse and human homologues. Next, we examined the effect of swimming exercise training on the level of expression of the PGC-1 gene in rat epitrochlearis (Epi) muscle. PGC-1 mRNA level in Epi muscle in rats that swam 2 h a day for 3 and 7 days increased dramatically by 154% and 163%, respectively, compared to the non-exercised control group. PGC-1 mRNA up-regulation was not observed in an immersion group treated at 35 degrees C during the training program but without swimming exercise. These results demonstrate that expression of the ...

Energy Technology Data Exchange (ETDEWEB)

Transient enhanced diffusion (TED) of boron in silica after low energy boron implantation and annealing was investigated using boron-doping superlattices (DSLs) grown by low temperature molecular beam epitaxy. Boron ions were implanted at 5, 10, 20, and 40 keV at a constant dose of 2{times}10{sup 14}/cm{sup 2}. Subsequent annealing was performed at 750{degree}C for times of 3 min, 15 min, and 2 h in a nitrogen ambient. The broadening of the boron spikes was measured by secondary ion mass spectroscopy and simulated. Boron diffusivity enhancement was quantified as a function of implant energy. Transmission electron microscopy results show that {l_angle}311{r_angle} defects are only seen for implant energies {ge}10 keV at this dose and that the density increases with energy. DSL studies indicate the point defect concentration in the background decays much slower when {l_angle}311{r_angle} defects are present. These results ...

International Nuclear Information System (INIS)

In this study nanocrystalline powders of yttria-stabilized zirconia (ZrO_2-8Y_2O_3) have been synthesized through 'polymerized complex method'. Zirconium chloride, yttrium nitrate, citric acid and ethylene glycol were polymerized at 80 "oC to produce a gel-like mass in which metallic ions were uniformly distributed. During the thermal treatment of dried gel, nanocrystalline powder was formed at 450 "oC and 650 "oC for 2 h. Thermal reactions and crystalline phase formation of the dried gel were investigated through thermal analysis and X-ray diffraction analysis, respectively. The results of thermal analysis and XRD showed the formation of nanocrystalline powder at less than 600 "oC. Chemical bonding of the dried gel was investigated by Fourier transform infrared spectroscopy analysis. Morphology of powder calcined at 650 "oC was analyzed by scanning electron microscope. Yttria-stabilized zirconia powders with the mean ...

International Nuclear Information System (INIS)

Due to severe drought conditions in Pakistan over the past several years, most of the areas are facing extinction of its potable water reserves and inadequate replenishment of groundwater aquifers. Due to over exploitation, the groundwater flow dynamics is changing and water quality is degrading due to induced infiltration from polluted surface sources. Isotope hydrology is relatively a new discipline having great potential for studying various water-related problems. RIAD, PINSTECH has established analytical facilities for commonly used environmental isotopes and applied to investigate various hydrological problems. This paper briefly describes practical examples on recharge mechanism and dating of groundwater in Lahore and Ziarat areas using isotopes like deuterium (/sup 2/H), Oxygen-18 (/sup 18/O), Tritium (/sup 3/H) and CFCs in water. In Lahore, the areas having different contribution of the river Ravi in groundwater ...

British Library Electronic Table of Contents (United Kingdom)

Introduction: We have evaluated the ability of a semi-automated, optomotor reflex method to assess drug-induced visual dysfunction, in albino and pigmented rats and mice. Methods: Male Han Wistar (HW) and Long Evans (LE) rats and mice (CD-1 and C57BL/6) were tested in a chamber formed by 4 computer monitors displaying a rotating vertical grating, to elicit head-tracking movements. The highest visible grating frequency was taken as the threshold of visual acuity, in cycles per degree (c/d). Animals received an intravenous infusion of either sodium iodate (50mg/kg) or 0.9% w/v NaCl (aq). They were tested 2h later, then re-tested daily for a further 3days. The time course of the effect was assessed in HW rats over a 6-week period, including electron microscopy, and immunohistochemical analysi...

International Nuclear Information System (INIS)

Volatile compounds produced in flexible food packaging materials (LDPE, EVAc, PET/PE/EVOH/PE) during electron beam irradiation were isolated by purge and trap technique and identified by combined gas chromatography-mass spectrometry (GC/MS), after thermal desorption and concentration. For comparison purposes non-irradiated films were also studied. Film samples were irradiated at low (5 kGy, corresponding to cold pasteurization), intermediate (20 kGy, corresponding to cold sterilization) and high (100 kGy) doses. It was observed that a number of volatile compounds are produced after irradiation in all cases. Furthermore the amounts of all volatile compounds increase with increasing irradiation dose. Both primary (methyl-derivatives etc.) as well as secondary i.e. oxidation products (ketones, aldehydes, alcohols, carboxylic acids etc.) are produced upon irradiation. These products may affect organoleptic properties and thus shelf-life of prepackaged irradiated foods. ...

British Library Electronic Table of Contents (United Kingdom)

Abstract We present the first numerical,-N-body, hydrodynamical, chemical simulations of cosmic structure formation in the framework of non-Gaussian models. We study the impact of primordial non-Gaussianities on early chemistry (e-, H, H+, H-, He, He+, He++, H2, H+2, D, D+, HD, HeH+), molecular and atomic gas cooling, star formation, metal (C, O, Si, Fe, Mg, S) enrichment, Population-III (popIII) and Population-II-I (popII) transition and on the evolution of -visible- objects. We find that non-Gaussianities can have some consequences on baryonic structure formation at very early epochs, but the subsequent evolution at later times washes out any difference among the various models. When assuming reasonable values for primordial non-Gaussian perturbations, it turns out that they are responsi...

Energy Technology Data Exchange (ETDEWEB)

A new preparation method for LiNiVO{sub 4} has been developed. LiNiVO{sub 4} can be readily obtained from the solid state reaction of LiNiO{sub 2} and V{sub 2}O{sub 3} or V{sub 2}O{sub 5} at 700 C for 2 h in air. The quarternary Li-Ni-V-O reaction is strongly dependent on vanadium starting materials, reaction environment atmosphere, reactant stoichiometry and synthesis temperature. Individual particles of LiNiVO{sub 4} powders are well-formed crystallites shown clearly by scanning electron microscopy results to be in the shape of an octahedron. Powder X-ray diffraction studies of this crystalline material indicate that LiNiVO{sub 4} has an inverse spinel structure different from that of known cathode materials such as LT-LiCoO{sub 2} and LiMn{sub 2}O{sub 4}. The Li/LiNiVO{sub 4} cell can be charged and discharged at about 4.8 V versus metallic Li. To our knowledge, this is the Li intercalation reaction with the highest ...

Energy Technology Data Exchange (ETDEWEB)

We investigated the electrical characteristics and the junction depth of ultra-shallow junctions formed by using the plasma-doping method. Compared with ultra-low energy boron-ion implantation at 500 eV, the junctions formed with the plasma-doping process exhibited shallow junction depths and low sheet resistances. The junction depths of the plasma-doped samples were 150 A and 330 A after annealing for 10 s at 900 .deg. C and 950 .deg. C, respectively. For the same junction depth, the sheet resistance of the B{sub 2}H{sub 6} plasma-doped sample was an order of magnitude less than that of the 500-eV B-ion implanted sample. Cross-sectional transmission electron microscopy and deep level transient spectroscopy showed that the defects formed by the B{sub 2}H{sub 6} plasma-doping process could be removed by annealing at 950 .deg. C for 10 s. The scaling of metal-oxide-semiconductor field-effect-transistor ...

International Nuclear Information System (INIS)

This study was carried out mainly to produce uranium trioxide (UO_3), matching standard commercial specification from rock phosphate deposits in Uro and Kurun at eastern part of the Nuba Mountains. A simplified hydrometallurgical procedure has been adopted for production of yellow cake from the ore. The powdered ore sample was leached with concentrated H_2SO_4 acid with and without addition of KCIO_3 as an oxidant. The crude yellow cake was precipitated from the resulting green solution of phosphoric acid as Na_2U_2O_7 and (NH_4)_2U_2O_7 and subsequently purified by TBP extraction (tributylphosphate) and hydrogen peroxide as UO_4.2H_2O. TBP purified product was dried and calcined to UO_3 whereas UO_4.2H-2O was dried and reduced to UO_3 by Na_2S_2O_3. Prior to precipitation of crude yellow cake, Fe in the phosphoric acid solution was precipitated using magnesia. Elemental analysis ...

Energy Technology Data Exchange (ETDEWEB)

The shifts induced by equimolar mixture of typical lanthanide shift reagent such as 2,2-dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octadionato europium with silver trifluoroacetate in /sup 1/H NMR spectra of aromatic hydrocarbons have been used for analytical purposes; the NMR determination of m- and p-xylenes in mixtures has been chosen as an example. The use has been made of the difference between induced shifts of methyl group signals in the /sup 1/H NMR spectra of m- and p-xylenes. The magnitude of induced shifts of methyl groups signal in m-xylene is always larger than that of p-isomer, irrespective of contents of m- and p-xylenes in mixture.

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MRI diagnosis for malignant tumors are made possible by direct comparison to the results obtained by the brain and it seems possible to differentiate malignant tumors from other benign lesions. Cystic lesions, and mycotic sinusitis sometimes resemble malignant tumors in MR Image. In the present report, we investigated the relationships between the biochemical contents of cystic lesions and NMR-parameters to clarify why some inflammatory lesions appeared similar to malignant tumors in MRI. The variation of relaxation time depends upon the amount of protein in the cystic contents and the amount of glucose affects the relaxation time. We conclude that NMR-parameters are useful for the differential diagnosis of malignant tumors, cystic lesions and mycositic sinusitis by using the multiple variation analysis.

Energy Technology Data Exchange (ETDEWEB)

Here we present evidence that in water/acetonitrile solvent detailed structural and dynamic information can be obtained for important proteins that are naturally present as oligomers under native conditions. An NMR-derived human insulin monomer structure in H{sub 2}O/CD{sub 3}CN, 65/35 vol%, pH 3.6 is presented and compared with the available X-ray structure of a monomer that forms part of a hexamer (Acta Crystallogr. 2003 Sec. D59, 474) and with NMR structures in water and organic cosolvent. Detailed analysis using PFGSE NMR, temperature-dependent NMR, dilution experiments and CSI proves that the structure is monomeric in the concentration and temperature ranges 0.1-3 mM and 10-30 deg. C, respectively. The presence of long-range interstrand NOEs, as found in the crystal structure of the monomer, provides the evidence for conservation of the tertiary structure. Starting from structures calculated by the ...

UK PubMed Central (United Kingdom)

High resolution structural elucidation of macromolecular structure by solid-state nuclear magnetic resonance requires the preparation of uniformly aligned samples that are isotopically labeled. In...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Science.gov (United States)

... the hydroxyl group with the benzene ring. The molar extinction coefficients for the various species at their respective absorption ... Glya Recorded by 1H-NMR Spectroscopy TABLE 2 Molar Extinction Coeff...

UK PubMed Central (United Kingdom)

A quantum computer (QC) can operate in parallel on all its possible inputs at once, but the amount of information that can be extracted from the result is limited by the phenomenon of wave function...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

UK PubMed Central (United Kingdom)

BackgroundPathophysiological mechanisms involved in amyotrophic lateral sclerosis (ALS) are complex and none has identified reliable markers useful in routine patient evaluation....Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Ethylene is a plant hormone that elicits a wide variety of responses in plant tissue. Among these responses are the hastening of abscission, ripening and senescence. In 1979 it was discovered that 1-amino-1-cyclopropane carboxylic acid is the immediate biosynthetic precursor to ethylene. Given the obvious economic significance of ethylene production the authors concentrated their studies on the conversion of ACC to ethylene. They delved into mechanistic aspects of ACC oxidation and they studied potential inhibitors of ethylene forming enzyme (EFE). They synthesized various analogs of ACC and found that EFE shows good stereodiscrimination among alkyl substituted ACC analogs with the 1R, 2S stereoisomer being processed nine times faster than the 1S, 2R isomer in the MeACC series. They also synthesized 2-cyclopropyl ACC which is a good competitive inhibitor of EFE. This compound also causes time dependent loss of EFE activity leading us to believe ...

International Nuclear Information System (INIS)

The transmutation of minor actinides in-reactor is one solution currently being studied for the long time management of nuclear waste. In the heterogeneous concept the radionuclides are incorporating in an inert ceramic matrix. The support material must be insensitive to radiation damage. Fission product damage is the main radiation damage source during the transmutation process and therefore it is of the utmost importance to study their effects. We irradiated spinels MgAl_2O_4 (matrix of reference) and ZnAl_2O_4 by fast ions (by example: (86)Kr of approximately 400 MeV) simulating the fission products. Under these conditions, the damage is primarily due to the electronic energy losses (Se). One of the structural features of spinel AB_2O_4 is that the two cations (A(2+) and B(3+)) can exchange their site. This phenomenon is quantified by the inversion parameter. We highlight by XRD in grazing incidence that the structural changes observed in ...

Energy Technology Data Exchange (ETDEWEB)

In-situ methods are well known as powerful tools in studying catalyst formation processes, their solid state properties under working conditions and the interaction with the feed, intermediates and products to reveal reaction mechanisms. This paper gives a short overview on results of intense studies using in-situ techniques to reveal VPO catalyst generation processes, interaction of educts, intermediates and products with VPO catalyst surfaces and mechanistic insights. Catalytic data of the ammoxidation of toluene on different VPOs complete these findings. The precursor-catalyst transformation processes were preferently investigated by in-situ XRD, in-situ Raman and in-situ ESR spectroscopy. The interaction of aromatic molecules and intermediates, resp., and VPO solid surfaces was followed by in-situ ESR and in-situ FTIR spectroscopy. Mechanistic information was mainly obtained using in-situ FTIR spectroscopy and the ...

International Nuclear Information System (INIS)

In Nuclear Magnetic Resonance (NMR) imaging, contrast is dependent on the emission of radiofrequency waves by atomic nuclei, balanced by several parameters. The high information content of NMR images is due to the multiplicity of its parameters. However, this advantage introduces a difficulty in the interpretation of the contrast. There are three contrast parameters for each tissue: hydrogen nuclei density; relaxation time T1; relaxation time T2. Contrast may be enhanced towards any of these parameters by increasing the emission of radiowaves by atomic nuclei using particular pulse sequences.

International Nuclear Information System (INIS)

Carbon monoxide can be produced in severe accidents from interaction of ex-vessel molten core with concrete. Depending on the particular core-melt scenario, the type of concrete and geometric factors affecting the interaction, the quantities of carbon monoxide produced can vary widely, up to several volume percent in the containment. Carbon monoxide is a combustible gas. The carbon monoxide thus produced is in addition to the hydrogen produced by metal-water reactions and by radiolysis, and represents a possibly significant contribution to the combustible gas inventory in the containment. Assessment of possible accident loads to containment thus requires knowledge of the combustion properties of both CO and H_2 in the containment atmosphere. Extensive studies have been carried out and are still continuing in the nuclear industry to assess the threat of hydrogen in a severe reactor accident. However the contribution of carbon monoxide to the combustion threat has ...

Science.gov (United States)

In 1977 and 1978, workers at Idaho National Engineering Laboratory (INEL) developed and tested a process for the regeneration and reuse of silver mordenite, AgZ, used to trap iodine from the dissolver off-gas stream of a nuclear fuel reprocessing plant. We were requested by the Airborne Waste Management Program Office of the Department of Energy to perform a confirmatory recycle study using repeated loadings at about 150/sup 0/C with elemental iodine, each followed by a drying step at 300/sup 0/C, then by iodine removal using elemental hydrogen at 500/sup 0/C. The results of our study show that AgZ can be recycled. There was considerable difficulty in stripping the iodine at 500/sup 0/C.; however, this step went reasonably well at 550/sup 0/C or slightly higher, with no apparent loss in the iodine-loading capacity of the AgZ. Large releases of elemental iodine occurred during the drying stage and the early part of the stripping stage. Lead ...

International Nuclear Information System (INIS)

The main aim of any food irradiation treatment is to guarantee the best safe quality of the products, reducing the spreading risk ("cross-contamination") for several food-associated diseases. Actually, over 40 countries provide clearances for the treatment of about 45 different types of foodstuffs. EU has to homogenise the situation within the associated States. With the European directive 1999/2/EC Italy, as other EU countries, already has brought into force their regulations to comply. The current Italian regulation on irradiation treatment of foodstuffs is referred since 1996 as follows: a) potatoes, onions and garlic; b) spices, herbs and condiments microbial. The new (April 2001) Italian law allows the possibility to ask for special permission of treatment for other foodstuff which is possible to treat in other E.U. countries. Large majority of foods are submitted to irradiation treatment after they have been packaged. In Dutch cases the study of radiation ...

Energy Technology Data Exchange (ETDEWEB)

Ruthenium is one of the fission products in the reprocessing of irradiated fuels that requires a specific processing management. Its elimination, upstream by the PUREX process, has been considered. A process, called electro-volatilization, which take advantage of the RuO{sub 4} volatility, has been optimised in the present study. It consists in a continuous electrolysis of ruthenium solutions in order to generate RuO{sub 4} species that is volatilized and easily trapped. This process goes to satisfying ruthenium elimination yields with RuNO(NO{sub 3}){sub 3}(H{sub 2}O){sub 2} synthetic solutions but not with fuel dissolution solutions. Consequently, this work consisted in the speciation studies of dissolved ruthenium species were carried out by simulating fuel solutions produced by hot acid attack of several ruthenium compounds (Ru(0), RuO{sub 2},xH{sub 2}O, polymetallic alloy). In parallel with dissolution kinetic studies, ...

DEFF Research Database (Denmark)

It is well established from experiments in premixed, laminar flames, jet-stirred reactors, flow reactors, and batch reactors that SO2 acts to catalyze hydrogen atom removal at stoichiometric and reducing conditions. However, the commonly accepted mechanism for radical removal, SO2 + H(+M) reversible arrow HOSO(+M), HOSO + H/OH reversible arrow SO2 + H-2/H2O, has been challenged by recent theoretical and experimental results. Based on ab initio calculations for key reactions, we update the kinetic model for this chemistry and re-examine the mechanism of fuel/SO2 interactions. We find that the interaction of SO, with the radical pool is more complex than previously assumed, involving HOSO and SO, as well as, at high temperatures also HSO, SH, and S. The revised mechanism with a high rate constant for H + SO2 recombination and with SO + H2O, rather than ...

CERN Document Server

The flybys of Jupiter by the Voyager spacecraft in 1979, and over two decades later by Cassini in 2000, have provided us with unique datasets from two different epochs, allowing the investigation of seasonal change in the atmosphere. In this paper we model zonal averages of thermal infrared spectra from the two instruments, Voyager 1 IRIS and Cassini CIRS, to retrieve the vertical and meridional profiles of temperature, and the abundances of the two minor hydrocarbons, acetylene (C2H2) and ethane (C2H6). The spatial variation of these gases is controlled by both chemistry and dynamics, and therefore their observed distribution gives us an insight into both processes. We find that the two gases paint quite different pictures of seasonal change. Whilst the 2-D cross-section of C2H6 abundance is slightly increased and more symmetric in 2000 (northern summer ...

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In this paper, we report on a comparative study of active screen plasma nitriding (ASPN) and conventional dc plasma nitriding (CPN) behavior of 30CrNiMo8 low-alloy steel that has been examined under various process conditions. The process variables included active screen setup parameters (screen and iron plate top lids placed on the screen setup with 8 mm of hole size), treatment temperature (550 and 580 deg. C), gas mixture (75/25 and 25/75 of N{sub 2}/H{sub 2}) and treatment time (5 and 10 h) in 500 Pa pressure. The structure and phases composition of the diffusion zone and compound layer were studied by X-ray diffraction (XRD), microhardness tests, light optical microscopy and scanning electron microscopy (SEM). It was observed that treated sample surfaces in both CPN and ASPN methods consist of {gamma}' and {epsilon} phases, and while the nitriding time and/or temperature increases, the ...

Energy Technology Data Exchange (ETDEWEB)

The authors hypothesized that acute respiratory responsiveness to ozone predicts chronic lung injury from repeated exposure to ozone-containing air pollution. They tested this hypothesis in 164 middle-aged nonsmoking residents of an ozone-polluted community who underwent lung-function measurements during 1986 and 1987 (i.e., time 3). The time-3 study was a follow up of more comprehensive studies conducted in 1977--1978 (time 1) and in 1982--1983 (time 2). In contrast to the apparent rapid (i.e., {approx} 60 ml/y) decline in lung-function measurements between times 1 and 2, their subjects showed little change in forced vital capacity (FVC) or forced expired volume in 1 s (FEV{sub 1.0}) between times 2 and 3, and they experienced a normal decline between times 1 and 3. A subgroup (n = 45) underwent 2-h laboratory ozone exposures to 0.4 ppm ozone, accompanied by intermittent exercise, and they experienced ...

Energy Technology Data Exchange (ETDEWEB)

Arsenic in soils from the Asarco lead smelter in East Helena, Montana was characterized by X-ray absorption spectroscopy (XAS). Arsenic oxidation state and geochemical speciation were analyzed as a function of depth (two sampling sites) and surface distribution. These results were compared with intensive desorption/dissolution experiments performed in a pH stat reactor for samples from the site with the highest degree of As heterogeneity. The objectives of the study were to investigate the solid-phase geochemical As speciation, assess the speciation of As in solutions equilibrated with the solids under controlled pH (pH=4 or 6) and Eh (using hydrogen or air) environments, observe the effects of phosphate on the release of As into solution, and examine the effects of phosphate on metal mobility in the systems. Arsenic was predominantly found in the As(V) valence state, though there was evidence that As(III) and As(0) were present also. The dominant geochemical phase ...

Energy Technology Data Exchange (ETDEWEB)

Milk can be a significant source of lead (Pb) for young mammals, including humans. Certain essential trace elements have previously been shown to be specifically associated with particular milk components and such associations often increase bioavailability. Thus, the first goal of this study was to determine the distribution of Pb in cream, casein, and whey fractions of various milks under various conditions using /sup 203/Pb as a tracer. In rat milk almost 90% of the Pb was found to be associated with the casein micelles, regardless of: 1) whether the milk was labeled in vivo or in vitro; b) whether the milk was fresh or frozen; and c) the added concentration of Pb. The remainder of the Pb was approximately equally distributed between cream and whey. A virtually identical pattern of Pb distribution was observed with bovine milk. Pb added to infant formula also associated predominantly with casein micelles, although the Pb content of this fraction was ...

British Library Electronic Table of Contents (United Kingdom)

We report the synthesis of four diorganotin(IV) compounds of Schiff base pyruvic acid hydrazone derivatives formulated as [R2SnLY]2, where L1 is 2-SC4H3CON2C(CH3)CO2 with Y = CH3CH2CH2CH2OH, R = n-Bu (1); L2 is C6H5CON2C(CH3)CO2 with Y = CH3CH2OH, R = p-F-Bz (2); L3 is 2-HOC6H4CON2C(CH3)CO2 with YH2O, R = p-CN-Bz (3); and L4 is 4-NO2-C6H4CON2C(CH3)CO2 with YCH3CH2OH, R = Bz (4). The structures of all compounds have been established by a combination of single-crystal X-ray diffraction analysis, 1H and 119Sn NMR spectroscopy, IR spectroscopy, and elemental analysis. Studies reveal that four ligands present the same coordination mode with tin center, which all present tridentate ONO donor Schiff bases and coordinate to the tin center in an enolic form. In compounds 1-4, each tin atom is seven...

Science.gov (United States)

Basic research of the structure and electronic properties of a-Si:H is reported with particular emphasis on the role of defects. The main findings are as follows: (1) low defect density material can be deposited at a high rate using SiH/sub 4/ diluted in He or Ne. Using Ar or Kr results in a high defect density and columnar material; (2) an electrical bias during deposition modifies the band gap, hydrogen concentration and structure; (3) the clustering of hydrogen in the regions between the columns is confirmed; (4) hydrogen diffusion is observed by NMR; (5) the oxidation of an a-Si:H surface results in approx. 3 x 10/sup 11/ cm/sup -2/ dangling bonds at the interface; (6) auger recombination of photoexcited carriers is a significant non-radiative mechanism at low temperatures; (7) non-radiative recombination by diffusion and capture at dangling bonds is observed at temperatures above 50 to 100/sup 0/K; (8) the defect density in doped and compensated a-Si:H is ...

Energy Technology Data Exchange (ETDEWEB)

Silanization of the silica gel surface in the synthesis of silica gel polyamine composites uses (chloropropyl)-trichlorosilane (CPTCS). It is possible to substitute a molar fraction of reagent CPTCS with methyltrichlorosilane (MTCS), creating a mixed silane surface layer. Two types of silica gels were modified with a series of MTCS:CPTCS molar ratios. Solid-state CP/MAS 29Si and 13C NMR spectroscopies were used to evaluate the surface silane composition. Surface silane coverage was markedly improved for the resulting gels. When polyamines were grafted to the resultant MTCS:CPTCS silane layers, it was shown that the decrease in the number of propyl attachments to the polyamine resulted in increased quantities of ''free amines''. Optimum MTCS:CPTCS ratios were determined for three polyamines grafted onto one silica gel. A substantial free amine increase was observed for poly(allylamine) (PAA). Metal uptake ...

International Nuclear Information System (INIS)

A single round of Edman degradation was employed to remove the NH_2-terminal valine from isolated #alpha# chains of human hemoglobin. Reconstitution of normal #beta# chains with truncated or substituted #alpha# chains was used to form truncated (des-Val"1-#alpha#1) and substituted ([[1-"1"3C]Gly"1]#alpha#1) tetrameric hemoglobin analogs. Structural homology of the analogs with untreated native hemoglobin was established by using several spectroscopic and physical methods. Functional studies indicate that the reconstituted tetrameric protein containing des-Val"1-#alpha# chains has a higher affinity for oxygen, is less influenced by chloride ions or 2,3-biphosphoglycerate, and shows lower cooperativity than native hemoglobin. These results confirm the key functional role of the #alpha#-chain NH_2 terminus in mediating cooperative oxygen binding across the dimer interface. The NH_2-terminal pK/sub 1/2/ value was determined for the ["1"3C]glycine-substituted analog to ...

Energy Technology Data Exchange (ETDEWEB)

This study follows previous experimental work showing that the shrinking-core model applies to the pyrolysis (i.e., heating in the absence of oxygen) of particles (diam.{approx}14 mm) of a bituminous coal or a lignite in a fluidized bed at 700-950 {sup o}C. These experimental facts are in accord with the production of volatile matter being endothermic and not thermoneutral, as often assumed. Also, the rate at which volatile matter is produced in the presence of oxygen (i.e., devolatilization) or in its absence (pyrolysis) is demonstrated here to be controlled not at all by mass transfer, but by heat conduction to a moving reaction front inside a coal particle, provided its diameter exceeds {approx}3 mm. The resulting steady-state model of devolatilization indicates that six dimensionless groups are required to describe the rate of(I)coal->char+volatile matter for a nonfragmenting and nonswelling coal. This reaction occurs for a total time of c{sub 1}r{sub ...

Energy Technology Data Exchange (ETDEWEB)

This study attempts to elucidate some of the effects of adding argon, neon and hydrogen to low pressure thermionically supported discharges used for plasma nitriding AISI M2 steel substrates. Four runs were performed at the same substrate temperature (550 C) and bias voltage (500 V), using the following gas mixtures: 8% N{sub 2} in Ar, 8% N{sub 2} in Ne, N{sub 2}+H{sub 2} in equal proportions, and N{sub 2} only. By careful control of the discharge parameters, most of the bombardment energy was transported to the substrates by 500 eV ions in all cases; these were mainly Ar{sup +} ions in the N{sub 2}+Ar run and N{sub 2}{sup +} ions in the other runs, notably by the action of Penning ionization in the N{sub 2}+Ne run. We found that the surface hardness was not significantly influenced by the type of ion delivering the bombardment energy, although we suggest that ions would need sufficient mass to cause (for example) ...

Science.gov (United States)

An advanced experimental technique has been developed to simulate two-phase flow behavior in a light water reactor (LWR). The technique applies three kinds of methods; (1) use of sulfur-hexafluoride (SF6) gas and ethanol (C2H5OH) liquid at atmospheric temperature and a pressure less than 1.0MPa, where the fluid properties are similar to steam-water ones in the LWR, (2) generation of bubble with a sintering tube, which simulates bubble generation on heated surface in the LWR, (3) measurement of detailed bubble distribution data with a bi-optical probe (BOP), (4) and measurement of liquid velocities with the tracer liquid. This experimental technique provides easy visualization of flows by using a large scale experimental apparatus, which gives three-dimensional flows, and measurement of detailed spatial distributions of two-phase flow. With this technique, we have carried out experiments simulating two-phase flow behavior in a single-channel ...

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The distribution of i.v. administered lead (/sup 203/Pb-acetate; 50 nmol/kg b.w.) was studied by means of autoradiography and impulse counting in pregnant C57BL mice (day 18) treated orally with dithiocarbamates. Diethyldithiocarbamate (DEDTC), disulfuram or thiram (2 X 1) mmol/kg b.w.) or vehicle (gelatine) alone, was given by gavage 2 h before and immediately after the injection of lead. All three dithiocarbamates, especially thiram, changed the distribution pattern of lead. Thiram and DEDTC had the greatest effect at 4 h after lead administration, disulfiram at 24 h. In the mother, most notably the brain concentration increased (70-fold for thiram at 4 h) while that of erythrocytes and skeleton decreased (50- and 4-fold, respectively). The total fetal concentration unexpectedly showed only a moderate increase (proportional 2-fold for thiram), which may be due partly to the low maternal plasma lead concentration. The ...

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

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A study by the U.S. Air Force School of Aerospace Medicine, Brooks AFB, Texas, has compared the shelter processing transfer of chemical warfare agent simulant vapor for subjects wearing unwashed and laundered ground-crew chemical defense overgarments. Twice laundered and four times laundered protective garments were included in the assessment. Test subjects, wearing the unwashed and laundered protective garments were initially sprayed with liquid simulant (methyl salicylate) to a target density of 5 g m-2. They were then sequentially processed into and through the USAFSAM Collective Protection Shelter (SCPS-2B) test facility. Immediately upon entry to the Toxic-Free Area, the subjects were confined in individual off gassing booths for 2 h while offgassed simulant vapor concentration in the booths was recorded. The resulting mean maximum vapor concentrations recorded in the booths for subjects who had worn unwashed and ...

International Nuclear Information System (INIS)

Proton-conducting solid oxide fuel cells, incorporating BaZr0.1Ce0.7Y0.2O3-? (BZCY) electrolyte, NiO-BZCY anode, and Sm0.5Sr0.5CoO3-?-Ce0.8Sm0.2O2-? (SSC-SDC) cathode, were successfully fabricated by a combined co-pressing and printing technique after a one-step co-firing process at 1100, 1150, or 1200 oC. Scanning electron microscope (SEM) results revealed that the co-firing temperature significantly affected not only the density of the electrolyte membrane but the grain size and porosity of the electrodes. Influences of the co-firing temperature on the electrochemical performances of the single cells were also studied in detail. Using wet hydrogen (2% H2O) as the fuel and static air as the oxidant, the cell co-fired at 1150 oC showed the highest maximum power density (PDmax) of 552 and 370 mW cm-2 at 700 and 650 oC, respectively, while the one co-fired at 1100 oC showed the highest PDmax of 276 and 170 mWcm-2 at 600 and ...

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A systematic study of structure-mechanical properties relation is reported for MoSi{sub 2}-SiC nanolayer composites. Alternating layers of MoSi{sub 2} and SiC were synthesized by DC magnetron and rf-diode sputtering, respectively. Cross-sectional transmission electron microscopy was used to examine three distinct reactions in the specimens when exposed to different annealing conditions: Crystallization and phase transformation of MoSi{sub 2}, crystallization of SiC, and spheroidization of the layer structures. Nanoindentation was employed to characterize the mechanical response as a function of structural changes. As-sputtered material exhibits amorphous structures in both types of layers and has a hardness of 11 GPa and a modulus of 217GPa. Subsequent heat treatment induces crystallization of MoSi{sub 2} to form the C40 structure at 500C and SiC to form the a structure at 700C. The crystallization process is directly responsible for hardness and modulus increase ...

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Several lanthanide shift reagents (LSR) were synthesized from praseodymium, europium, dysprosium, and terbium using ethylenediaminetetraacetic acid, trans-1,2-diaminocyclohexane-N,N,N[prime],N[prime]-tetraacetic acid, and diethylenetriaminepentaacetic acid for the purpose of separating overlapping [sup 31]P FT-NMR spectral signals of dissolved organic phosphorus compounds present in concentrated lake-water samples. The extent of change in signal position and line width of several known phosphorus compounds dissolved in pure water was examined as a function of solution pH and the molar ratio of LSR to phosphorus. Praseodymium ethylenediaminetetraacetate (PrEDTA) was determined to be the most effective LSR. Concentrated lake-water samples mixed with PrEDTA were examined with [sup 31]P FT-NMR. The use of PrEDTA provided separation of overlapping signals, indicated that phosphorus compounds were becoming isolated from the solution environment ...

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We have examined the theory of NMR multiple echoes developed for solid {sup 3}He to determine whether multiple echoes could be observed in solid hydrogen. We were particularly interested in the possibility of testing for low frequency quantum tunneling motions in solid hydrogen by the observation of multiple echoes. We find that for easily accessible nuclear spin polarizations, P > 12%, multiple echoes would be observed for HD impurities in solid parahydrogen if motional narrowing is effective in increasing the HD nuclear spin-spin relaxation time T{sub 2} to the order of 1 msec. These values for T{sub 2}, which have been observed for HD impurity concentrations of the order of 1%, are larger than the calculated rigid lattice values and can be attributed to quantum tunneling at frequencies of the order of 1kHz.

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The effects of spin diffusion on the free induction decay (FID) of protons associated with the noncrystalline domains of two polymers, polyethylene and blended Nylon 66 (ZYTEL-408), have been examined using Goldman--Shen NMR pulse sequence ((1/2)..pi..x-t/sub 0/-(1/2)..pi..x-bar-tau-(1/2)..pi..x-t). At tau< or approx. =100 ..mu..s, the FID is drastically distorted from the exponential form while at longer tau(tau> or approx. =500 ..mu..s) an exponential FID is observed; but its transverse spin relaxation rate is smaller than that of the FID obtained after a single (1/2)..pi..x pulse and approaches this value at the limit of large tau. These findings are interpreted in terms of the theory of rapid spin diffusion. The spatial variation in the spin relaxation rate within the noncrystalline domain is inferred.

British Library Electronic Table of Contents (United Kingdom)

The endophytic fungus Trichothecium roseum LZ93 from Maytenus hookeri was found to antagonize other pathogenic fungi in vitro. To identify which compound contributed substantially to the antagonism, we fermented the strain and purified its fermentation products. Eleven compounds were obtained, including two trichothecenes, five rosenonolactones, two cardiotonic cyclodepsipeptides, and two sterols. Compound 11?-hydroxyrosenonolactone (1) was assigned according to 1D and 2D-NMR data for the first time. At the same time, the 1H and 13C-NMR assignments for 6?-hydroxyrosenonolactone (2) were revised. Of all of them, only trichothecin (6) showed strong antifungal activity. Based on our observations of the antagonistic activity and the other experimental results, we suggest that the antifungal co...

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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/.

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Isotherms have been measured for H(D){sub 2}(g) solution in crystalline Pd{sub 9}Si{sub 2} in the temperature range from 235 to 373 K. The solubilities are significant, e.g., at 1.0 MPa (298 K), (H/Pd) = 0.052 or Pd{sub 9}Si{sub 2}H{sub 0.47}, however, there is no indication of hydride phase formation even down to 235 K at 1.0 MPa. The thermodynamic values for hydrogen solutions at infinite dilution of hydrogen are {Delta}H{degrees}{sub H}= -11.9 kJ/mole {1/2}H{sub 2} and {Delta}S{degrees}{sub H} = -50 J/K mole {1/2}H{sub 2}. The former is more negative than for Pd-H{sub 2} and the latter is somewhat more positive; but generally the values are not that different from Pd-H{sub 2}. The isotope effect is similar to that found for Pd-H(D){sub 2}.

International Nuclear Information System (INIS)

By methods of vibrational (infrared, Raman) and PMR spectroscopy, crystallohydrate forms of monosubstituted uranyl orthophosphate have been examined. The vibrational frequencies of the groupings from the compounds were identified. The existence of non-equivalent H_2PO_4"--groups in the substances under investigation was ascertained. It has been suggested that one of them is a bridged group, and the other is the end group. A fragment of the VO_2(H_2PO_4)_2 hydrate structure is given, its main constituents being uranylphosphate chains. The analysis of water vibrations assumes coordination of one mole of H_2O in VO_2(H_2PO_4)_2:3H_2O to uranium, while two other molecules are only hydrogen-bonded with phosphate anions. Absorption within the region of 2100-2550 cm"-"1 is assigned to vibrations of O...H...O groupings.

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

The heterogeneous solid catalyst, mercaptopropylsilica (MPS), has been prepared by a modified procedure in water and its structure confirmed by solid state carbon-13 CP-MAS NMR spectrum. This catalyst has been efficiently utilized for the synthesis of a wide variety of tri-, tetrasubstituted imidazoles and their bis-analogues at room temperature. The protocol was further explored for the synthesis of the drug trifenagrel.

Energy Technology Data Exchange (ETDEWEB)

In this article, the authors recall the factors apt to influence image quality in NMR Imaging and present the european works that have been developed in MRIQA to set 5 quality assurance tests: EUROSPIN 1 to 5.

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

UK PubMed Central (United Kingdom)

Temperature-dependent (5-42 degrees C) 13C NMR spectra of albumin complexes with 90% isotopically substituted [1-13C]decanoic acids (3 mol of fatty acid per mol of albumin) showed a single peak at greater...Full Text Available

UK PubMed Central (United Kingdom)

A pulsed field gradient spin echo sequence has been incorporated in a nuclear magnetic resonance (NMR) imaging experiment to provide an image contrast dependent on local molecular self-diffusion. The...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

We have measured, by {sup 1}H and {sup 13}C nuclear magnetic resonance (NMR), the percent deuteration, the tacticity and the purity of several polymers and one solvent used in the preparation of microcellular foams. The percent deuteration was measured for polystyrene, polyacrylonitrile and polyethylene. The tacticities of polystyrene and polyacrylonitrile were determined. The purity and degradation products of polyacrylonitrile and maleic anhydride were examined. This report documents the experimental procedures and results of these measurements.

Energy Technology Data Exchange (ETDEWEB)

Objective: Pretargeting is the concept that combines optimal delivery of the antibody and rapid capture and elimination of the radioactivity. In this study, we evaluated the potential of antibody pretargeting to enable the tumor-targeting {sup 212}Pb for in vivo generation of {sup 212}Bi for {alpha} particle radiotherapy. Methods: The {sup 212}Pb/{sup 212}Bi chelate of DOTA-biotin, as well as their {gamma}-emitting analogues, {sup 203}Pb and {sup 205}Bi, was prepared and characterized. The radiolabeled compounds were injected in animals for evaluation of tumor targeting and normal tissue uptake and retention. In the pretargeting protocol, injection of 400 {mu}g of NR-LU-10 antibody-streptavidin conjugate was given at t=0 h, then 100 {mu}g of N-acetyl-galatosamine-biotin clearing agent was injected at t=20-24 h; finally, 1 {mu}g of {sup 212}Pb/{sup 212}Bi-DOTA-biotin was injected 6 h later. Results: Both {sup 203}Pb and {sup 205}Bi-DOTA-biotin were stable for at ...

Energy Technology Data Exchange (ETDEWEB)

An intermetallic compound Sm[sub 2]Fe[sub 17]N[sub x] was synthesized by plasma nitriding of Sm[sub 2]Fe[sub 17] in a stream of N[sub 2]-H[sub 2] mixed gas. The reaction proceeded at a lower temperature (around 423 K) than that of the conventional thermal technique, but not at room temperature. This is discussed on the basis of the difference between the reaction mechanisms of plasma and thermal nitridings. (orig.)

UK PubMed Central (United Kingdom)

Methanobacterium thermoautotrophicum, M. ruminantium, and Methanosarcina barkeri were labeled with 14CO2 (14CO2 + H14CO3- + 14CO32-) for from 2 to 45 s. Radioactivity was recovered in coenzyme M derivatives,...Full Text Available

UK PubMed Central (United Kingdom)

The effect of the non-selective, 1-aminoindan-1,5-dicarboxylic acid (AIDA), and selective (3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-(cis-4- methoxycyclohexyl) methanone (JNJ16259685),...Full Text Available

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The preparation, physical properties, and photophysical properties of [Pt(bph)(C[sub 2]H[sub 5])[sub 2]S][sub 2], [Pt(bph)(CH[sub 3]CN)[sub 2

International Nuclear Information System (INIS)

The advance in the analysis of very small amount (<= 1#alpha#/cm"2h) of #alpha#-emitters in the cited materials is reviewed. The review, for which 75 references are listed, covers the period from January, 1978, to June, 1982. The use of #alpha#-ray counting, #alpha#-ray spectrometry, #gamma#-ray spectrometry, neutron activation analysis and mass spectrometry is discussed, and their relative merit and limitation are outlined. (J.P.N.).

British Library Electronic Table of Contents (United Kingdom)

Platinum(II) complexes (1-4) with bidentate N,Nprime-ligands, O,Oprime-dialkyl esters (alkyl = ethyl, n-propyl, n-butyl and n-pentyl), of (S,S)-ethylenediamine-N,Nprime-di-2-(4-methyl)pentanoic acid were synthesized and characterized by IR, 1H NMR and 13C NMR spectroscopy and elemental analysis. DFT calculations were performed for the complexes and it was found that only one diastereoisomer could be formed. Cytotoxic activity of complexes 1-4 was determined against chronic lymphocytic leukemia cells (CLL) and compared to the activity of ligand precursors L12HCl-L42HCl and corresponding palladium(II) complexes, [PdCl2L] (L = L1-L4). The complexes were found to exhibit significantly higher antitumor activities than cisplatin on CLL cells. Cytotoxic effect of platinum(II) complexes on CLL cel...

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).

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

A few metal complexes of isatin-isonicotinoylhydrazone with Ni(II), Cr(III), Co(II), Cu(II), Zn(II) and Cd(II) have been prepared and characterized on the basis of elemental analyses, infrared and electronic spectra as well as "1H NMR spectra, conductivity and magnetic measurements. In view of the results obtained, it has been found that two molecules of isatin-isonicotinoylhydrazone are chelated to the central metal ion as bis-uninegative ONO tridentate ligand forming non-electrolytic octahedral metal complexes. (author)

International Nuclear Information System (INIS)

Polytetrafluoroethylene was obtained by radiation induced polymerization of tetrafluoroethylene in acetone at 195 K. An average diameter of the products was very small compared with commercial one; it was about 0.3 micro-meters. The yield was reached to 100% with a dose of 4 kGy. The crystallinity of the products is decreasing with increasing dose. The products become amorphous, for higher irradiation doses. It was found that PTFE obtained by irradiation of TFE in acetone at 195 K has branching structure. This was demonstrated by means of "1"9F MAS NMR. (Author)

International Nuclear Information System (INIS)

"1"7"5Ta and "1"7"7Ta nuclei as dilute impurities in Fe were oriented at low temperatures. Using the technique of NMR/ON the magnetic moments have been measured: "+#mu#("1"7"5Ta, 7/2"+,"+=2.270(45) #mu# sub(N) and "+#mu#("1"7"5Ta, 7/2"+)"+=2.250(45) #mu# sub(N). These values are discussed in the framework of the rotational model. (author).

Energy Technology Data Exchange (ETDEWEB)

The first stage of the continuous coal hydrogenation unit has been used to test a number of coals with different processing strategies. This work has shown that conversion increases with product recycle, however after the second pass the increase is small but operability of the reactor is considerably improved. A kinetic model for the aromatic saturation of the recycle solvent in the second stage has been developed and will be used in the selection of conditions for oil upgrading processes. New insights into the structural composition of coal derived materials have been made due to the refinement of chromatographic or solubility separation analyses into routine operations and the development of a new technique in NMR spectroscopy.

International Nuclear Information System (INIS)

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

CERN Document Server

Site measurements were collected at Mount John University Observatory in 2005 and 2007 using a purpose-built scintillation detection and ranging system. $C_n^2(h)$ profiling indicates a weak layer located at 12 - 14 km above sea level and strong low altitude turbulence extending up to 5 km. During calm weather conditions, an additional layer was detected at 6 - 8 km above sea level. $V(h)$ profiling suggests that tropopause layer velocities are nominally 12 - 30 m/s, and near-ground velocities range between 2 -- 20 m/s, dependent on weather. Little seasonal variation was detected in either $C_n^2(h)$ and $V(h)$ profiles. The average coherence length, $r_0$, was found to be $7 \\pm 1$ cm for the full profile at a wavelength of 589 nm. The average isoplanatic angle, $\\theta_0$, was $1.0 \\pm 0.1$ arcsec. The mean turbulence altitude, $\\bar{h_0}$, was found to be $2.0\\pm0.7$ km above sea level. No ...

International Nuclear Information System (INIS)

The attenuation of gamma rays in some fatty acids, viz. formic acid (CH_2O_2), acetic acid (C_2H_4O_2), propionic acid (C_3H_6O_2), butyric acid (C_4H_8O_2), n-hexanoic acid (C_6H_1_2O_2), n-caprylic acid (C_8H_1_6O_2), lauric acid (C_1_2H_2_4O_2), myristic acid (C_1_4H_2_8O_2), palmitic acid (C_1_6H_3_2O_2), oleic acid (C_1_8H_3_4O_2) and stearic acid (C_1_8H_3_6O_2), has been measured at the photon energies 81, 356, 511, 662, 1173 and 1332 keV. Experimental values for the molar extinction coefficient, the effective atomic number and the electron density have been derived and compared with theoretical calculations. There is good agreement between experiment and theory.

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Polycrystalline silicon films have been grown from Si{sub 2}H{sub 6} by low-pressure chemical vapour deposition at 800 K and in situ laser annealing (LA) on amorphous silicon seed layers deposited on a metallic Ti/Pd/Ag multilayer. The crystalline volume fraction in the seed layer was controlled by thermal annealing. According to the metal-induced crystallization effect, the presence of the metal induces a lower-temperature crystallization of silicon in the seed layers. X-ray diffraction and scanning electron microscopy data show that the formation of palladium silicides in the seed layer drives the growth of wire-like columns which are found to change morphology depending on the seed layer microstructure and LA parameters. It is suggested that superficial palladium was found to affect also the growth rate by enhancing the Si{sub 2}H{sub 6} dissociation.

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A procedure for high level tritium labelling at the C2-H position of adenosine 5`-triphosphate ([2-{sup 3}H]-ATP, 1), based on the tritiodehalogenation reaction of 2-bromoadenosine 5`-triphosphate (2) has been elaborated. This precursor was prepared in a six-step synthesis from guanosine. The tritiodehalogenation of (2) for three hours over palladium oxide in phosphate buffer yielded tritium labelled ATP with high specific activity, in good chemical yield. (author).

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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.

International Nuclear Information System (INIS)

"2H, "4He, "1"6O, "4"0Ca, "8"0Zr, "1"4"0Yb, "2"2"4112, "3"3"6168 nuclei are invesigated in terms of flucton model. Effective numbers of nuclear fluctons and deuterons are calculated. Values of complete effective numbers of low-radius deuterons and fluctons with S=1 spin and T=0 isospin are presented. Investigation results of inclusive reactions of quasi-elastic knock-out of deuterons by fast protons are discussed. 9 refs.; 1 fig.; 1 tab.

International Nuclear Information System (INIS)

A new iron phosphate (NH4)4Fe3(OH)2F2[H3(PO4)4] has been synthesized hydrothermally at HF concentrations from 0.5 to 1.2 mL. Single-crystal X-ray diffraction analysis reveals its three-dimensional open-framework structure (monoclinic, space group P21/n (No. 14), a=6.2614(13) A, b=9.844(2) A, c=14.271(3) A, ?=92.11(1)o, V=879.0(3) A3). This structure is built from isolated linear trimers of corner-sharing Fe(III) octahedra, which are linked by (PO4) groups to form ten-membered-ring channels along [1 0 0]. This isolated, linear trimer of corner-sharing Fe(III) octahedra, [(FeO4)3(OH)2F2], is new and adds to the diverse linkages of Fe polyhedra as secondary building units in iron phosphates. The trivalent iron at octahedral sites for the title compound has been confirmed by synchrotron Fe K-edge XANES spectra and magnetic measurements. Magnetic measurements also show that this compound exhibit a strong antiferromagnetic exchange below TN=17 K, ...

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A comparative test in mice for pulmonary toxicity between butylated hydroxytoluene (2,6-di-tert.-butyl-4-methylphenol, BHT) and 2,6-di-tert.-butyl-4-(alpha, alpha, alpha-2H3)methylphenol (BHT-d3) showed a significantly lower toxic potency of the latter. The rate of in vitro BHT metabolism to 2,6-di-tert.-butyl-4-methylene-2,5-cyclohexadienone (BHT-QM) was slowed by deuterating BHT in the 4-methyl group. On the other hand, the rate of in vitro metabolism to 2,6-di-tert.-butyl-4-hydroxy-4-methyl-2,5-cyclohexadienone (BHT-OH) was increased with the deuteration. A similar isotope effect of the deuterium substitution on the in vivo metabolic rates of BHT was observed. These observations support the concept that the lung damage caused by BHT is mediated by BHT-QM. The pulmonary toxicity of 2-tert.-butyl-4-ethylphenol (4-EP) and their deuterated analogs was also compared. 2-tert.-Butyl-4-(1,1-2H2)ethylphenol ...

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Since information has been regarded os a physical entity, the field of quantum information theory has blossomed. This brings novel applications, such as quantum computation. This field has attracted the attention of numerous researchers with backgrounds ranging from computer science, mathematics and engineering, to the physical sciences. Thus, we now have an interdisciplinary field where great efforts are being made in order to build devices that should allow for the processing of information at a quantum level, and also in the understanding of the complex structure of some physical processes at a more basic level. This thesis is devoted to the theoretical study of structures at the nanometer-scale, 'nanostructures', through physical processes that mainly involve the solid-state and quantum optics, in order to propose reliable schemes for the processing of quantum information. Initially, the main results of quantum information theory and quantum ...

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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)

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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...