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

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No abstract prepared.

International Nuclear Information System (INIS)

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

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

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

British Library Electronic Table of Contents (United Kingdom)

Summary: 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 res...

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

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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 ...

British Library Electronic Table of Contents (United Kingdom)

A tertiary structure of recombinant A22^G-B31^K-B32^R-human insulin monomer (insulin GKR) has been characterized by ^1H, ^1^3C NMR at natural isotopic abundance using NOESY, TOCSY, ^1H/^1^3C-GHSQC, and ^1H/^1^3C-GHSQC-TOCSY spectra. Translational diffusion studies indicate the monomer structure in water/acetonitrile (65/35vol.%). CSI analysis confirms existence of secondary structure motifs present in human insulin standard (HIS). Both techniques allow to establish that in this solvent recombinant insulin GKR exists as a monomer. Starting from structures calculated by the program CYANA, two different refinement protocols used molecular dynamics simulated annealing with the program AMBER; in vacuum (AMBER_VC), and including a generalized Born solvent model (AMBER_GB). From these calculation...

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.

British Library Electronic Table of Contents (United Kingdom)

Crystalline bis(O,O'-di-sec-butyldithiophosphato)platinum(II) was prepared and studied by means of 13C, 31P CP/MAS NMR spectroscopy and single-crystal X-ray diffraction. The unit cell of the platinum(II) compound is comprised of one centrosymmetric mononuclear molecule [Pt{S2P(O-sec-C4H9)2}2], in which the dithiophosphate groups display structural equivalence in both 31P NMR and XRD data. A pair of the dithiophosphate ligands exhibit the same S,S'-bidentate chelating structural function and form two planar four-membered chelate rings, [PtS2P], in this molecule. The planar configuration of the [PtS4] chromophore in structure 1 is governed by the dsp2-hybrid state of platinum(II). The structural states of the dithiophosphate groups in two different samples of complex 1 (one crystallised from...

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...

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)

British Library Electronic Table of Contents (United Kingdom)

Cyclization of deproteinized natural rubber (DPNR) or purified natural rubber latex was effectively performed in latex phase by using trimethylsilyl-trifluoromethane sulfonate or trimethylsilyl triflate (TMSOTF) as a novel catalyst, which is still not reported in the case of natural rubber latex. Various cyclization conditions affecting the degree of cyclization were studied, such as dry rubber contents, temperature, TMSOTF concentrations, and time. The cyclized products were characterized by FTIR, Raman, 1H-, and 13C-NMR spectroscopies, as well as DSC and TGA. The degree of cyclization was estimated by 1H-NMR spectrum. It was found that the degree of cyclization in NR was a function of cyclization conditions. The thermal stability of cyclized DPNR increased with the degree of cyclization....

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

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.

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

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...

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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 ...

Energy Technology Data Exchange (ETDEWEB)

One- and two-dimensional NMR techniques have been used to investigate the solution structures of (2S,6S,11S,15S)-2,6,11,15-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane (I) and (2R,3R,11R,12R)-2,3,11,12-tetramethyl-1,4,7,10,13,16-hexaoxyacyclooctadecane (II) macrocycle complexes of CaCl{sub 2} and Ca(NO{sub 3}){sub 2} in CDCl{sub 3}. Previous chiroptical studies of these and similar crown complexes by circularly polarized luminescence (CPL), total luminescence (TL), and circular dichroism (CD) spectroscopy have shown that the macrocycle asymmetric carbons in these complexes constrain the ring such that the sense of the ring twist in the S chiral ring complexes is opposite to that in the R chiral ring complexes. These studies have also shown that there is an added chirality element in the di- and trivalent (alkaline earth and lanthanide metal, respectively) nitrate complexes of I and II associated with the twist of the nitrate anions relative to one another as ...

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 be 7.46 +/- 0.09 at ...

British Library Electronic Table of Contents (United Kingdom)

A series of thiazolo[3,2-b][1,2,4]triazole incorporating diphenylsulfone moieties were synthesized starting from 5-[4-(4-X-phenylsulfonyl)phenyl]-4H-1,2,4-triazole-3-thioles 3a-c, X=H, Cl, Br. Thus, alkylation of 1,2,4-triazoles 3 with phenacyl bromide or 4-bromophenacyl bromide afforded S-substituted 1,2,4-triazoles 4, 5. These new intermediates 4 and 5, in the presence of H2SO4 (c), were cyclized to 2-[4-(4-X-phenylsulfonyl)phenyl]-6-(4-Y-phenyl)[1,3]thiazolo[3,2-b]-[1, 2,4]-triazoles 6, 7 (I) and not to isomeric thiazolo[2,3-c][1,2,4]-triazoles 6, 7 (II). The newly synthesized compounds were characterized by IR, 1H, 13C NMR and elemental analysis. MS spectra confirmed the formation of thiazolo[3,2-b][1,2,4]triazole 6, 7 (forms I) in detriment of [2,3-c] isomeric compounds (forms II). Th...

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Novel complexes of the type (Pt(DACH)(N-R-iminodiacetate)), wherein DACH represents (R,S)- and (R,R)-1,2 diaminocyclohexane and R represents /minus/Me, /minus/EtOH, and /minus/CH/sub 2/Ph groups, have been prepared, purified, and characterized by spectroscopic techniques (/sup 1/H, /sup 13/C, and /sup 195/Pt NMR;MS(FAB);IR) and by the measurement of selected physical properties (pH, pK/sub a/, conductivity, and molecular weights). The data are consistent with the formation of two diastereomeric complexes in unequal proportions in which the N-R-iminodiacetate ligand appears to be bonded as a pseudofacial tridentate chelate. One are of the ligand forms a stable five-membered-ring O,N-chelate while the other arm appears to be involved in ion-pair formation (zwitterion-like) involving the carboxylate anion and the formally positive Pt(II) central metal atom. It has been demonstrated indirectly that an active impurity was ...

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Pretreatment of brown coal in oil was conducted using 1-methyl naphthalene or mixture of tetralin and 1-methyl naphthalene as solvent at temperatures ranging from 300 to 430{degree}C under nitrogen atmosphere. Effects of the solvent properties on the structural change of oxygen-functional groups (OFG) and coal liquefaction were investigated by means of quantitative analysis of OFG and solid state {sup 13}C-NMR measurement. When hydrogen transfer from solvent was insufficient, it was suggested that brown coal molecules loose their hydrogen to be aromatized. While, at lower temperatures ranging from 300 to 350{degree}C, hydrogen contained in brown coal molecules was consumed for the stabilization of pyrolytic radicals, and the deterioration of liquefaction was not observed. When hydrogen transfer from solvent was insufficient at higher temperatures above 400{degree}C in nitrogen atmosphere during pretreatment in oil, crosslinking like benzofuran ...

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The influence of membrane pH gradients on the transbilayer distribution of some common phospholipids has been investigated. The authors demonstrate that the transbilayer equilibrium of the acidic phospholipids egg phosphatidylglycerol (EPG) and egg phosphatidic acid (EPA) can be manipulated by membrane proton gradients, whereas phosphatidylethanolamine, a zwitterionic phospholipid, remains equally distributed between the inner and outer monolayers of large unilamellar vesicles (LUVs). Asymmetry of EPG is examined in detail and demonstrated by employing three independent techniques: ion-exchange chromatography, {sup 13}C NMR, and periodic acid oxidation of the (exterior) EPG headgroup. In the absence of a transmembrane pH gradient ({Delta}pH) EPG is equally distributed between the outer and inner monolayers of LuVs. When vesicles composed of either egg phosphatidylcholine (EPC) or DOPC together with 5 mol % EPG are prepared ...

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Platinum complexes play an important role in the development of anticancer drugs. Their cytotoxicity can be influenced by the nature of the leaving ligands, due to the hydrolysis reaction that occurs prior to the binding of the platinum complex to DNA. Also, non-leaving groups such as lipophilic diamines may affect cellular uptake. In this work, we describe the synthesis of platinum(II) complexes having oxalato and long chain aliphatic N-alkyl ethylenediamines as ligands. The products were characterized by elemental analyses, infrared spectroscopy and {sup 1}H, {sup 13}C and {sup 195}Pt NMR spectroscopy. Biological activity was assessed against tumor cell lines (A{sub 549}, B16-F1, B16-F10, MDA-MB-231) and non-tumor cell lines (BHK-21 and CHO). The length of the carbon chain affects the cytotoxicity and the oxalato complexes were less cytotoxic than the respective chloride-containing analogues. (author)

British Library Electronic Table of Contents (United Kingdom)

A series of oxine ligands, 5-X, 8 OH C9H6N (X = H, Cl, SO3H) have been covalently bound to a silica gel polyamine composite made from a silanized amorphous silica xerogel and poly(allylamine) (BP-1) by the Mannich reaction. The resulting modified composites WP-4(X = H), CB-1(X = Cl), and SB-1(X = SO3H) were characterized by elemental analysis, FTIR, and solid state CPMAS-13C-NMR. Using the analytical data before and after the ligand modification, the ligand loading could be estimated and in combination with metal ion capacities a metal to ligand ratio could be obtained. The composites WP-4 and CB-1 both showed ratios of approximately 1 : 1 while the sulfonate modified composite, SB-1, showed a metal to ligand ratio of 1 : 2. This is tentatively interpreted in terms of a zwitterionic oxine ...

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A series of dinuclear platinum(II) complexes, [(dien)Pt(NH{sub 2}(CH{sub 2}){sub n}NH{sub 2})Pt(dien)]Cl{sub 4} (dien = diethylenetriamine, n = 8, 9, 10, and 12) and their corresponding [2]rotaxanes with {alpha}-cyclodextrin ({alpha}-CD), [(dien)Pt{l_brace}NH{sub 2}(CH{sub 2}){sub n}NH{sub 2}{center_dot}{alpha}-CD{r_brace}Pt(dien)]Cl{sub 4}, have been synthesized and characterized by {sup 1}H, {sup 13}C, and {sup 195}Pt NMR spectroscopy and electrospray mass spectrometry. The rotaxanes were prepared by reacting the {l_brace}NH{sub 2}(CH{sub 2}){sub n}NH{sub 2}{center_dot}{alpha}-CD{r_brace} pseudorotaxanes with [Pt(dien)]Cl, to stopper the included linear {alpha},{omega}-diaminoalkane chains with the inert Pt(II) end groups. The kinetics of the self-assembly and dissociation of the {beta}-CD rotaxane, [(dien)Pt{l_brace}NH{sub 2}(CH{sub 2}){sub 10}NH{sub 2}{center_dot}{beta}-CD{r_brace}Pt(dien)]{sup 4+}, were investigated by ...

International Nuclear Information System (INIS)

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

Science.gov (United States)

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) ...

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The hydration behavior of a number of square planar Pt(II) bis(cyano) complexes has been examined, and the limiting stoichiometries are related to the steric requirements of the dinitrogen bidentate ligands coordinated to the metal center. In particular, the IR, UV/vis, and [sup 1]H, [sup 13]C, and [sup 195]Pt NMR spectroscopic data for the compound Pt[sup II]dtbipy(CN)[sub 2] [dtbipy = 4,4[prime]-[l brace]C(CH[sub 3])[sub 3][r brace][sub 2]-2,2[prime]-bpy] have been determined and show that, at relative humidities (rh) above [approximately]40%, this complex sorbs five water molecules at room temperature. The sorption process consists of a rapid step in which one H[sub 2]O adds to the complex and which appears to be independent of rh, followed by a slower, rh-dependent step leading to the final stoichiometry. In contrast, the analogous 2,2[prime]-bpy complex sorbs no water under these conditions, while the ...

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A number of ion exchange materials are being evaluated as part of the Tank Waste Remediation System (TWRS) Pacific Northwest Laboratory (PNL) Pretreatment Project for the removal of {sup 137}Cs from aqueous tank wastes. Two of these materials are organic resins; a phenol-formaldehyde resin (Duolite CS-100) produced by Rohm and Haas Co. (Philadelphia, Pennsylvania) and a resorcinol-formaldehyde (RF) resin produced by Boulder Scientific Co. (Mead, Colorado). One of the key parameters in the assessment of the organic based ion exchange materials is its useful lifetime in the radioactive and chemical environment that will be encountered during waste processing. The focus of the work presented in this report is the radiation stability of the CS-100 and the RF resins. The scope of the testing included one test with a sample of the CS-100 resin and testing of two batches of the RF resin (BSC-187 and BSC-210). Samples of the exchangers were irradiated with a {sup 60}Co source to a total ...

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When Silk fibre derived from Bombyx mori, a native biopolymer, was dissolved in highly concentrated neutral salts such as CaCl{sub 2}, the regenerated liquid silk, a gradually degraded peptide mixture of silk fibroin, could be obtained. The silk fibroin nanoparticles were prepared rapidly from the liquid silk by using water-miscible protonic and polar aprotonic organic solvents. The nanoparticles are insoluble but well dispersed and stable in aqueous solution and are globular particles with a range of 35-125 nm in diameter by means of TEM, SEM, AFM and laser sizer. Over one half of the {epsilon}-amino groups exist around the protein nanoparticles by using a trinitrobenzenesulfonic acid (TNBS) method. Raman spectra shows the tyrosine residues on the surface of the globules are more exposed than those on native silk fibers. The crystalline polymorph and conformation transition of the silk nanoparticles from random-coil and {alpha}-helix form (Silk I) into anti-parallel {beta}-sheet form ...

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Piper regnellii (Miq.) C. DC. var. pallescens (C. DC.) Yunck (Piperaceae) is a medicinal plant traditionally used in Brazil to treat infectious diseases. The extracts obtained from the leaves of P. regnellii were investigated for their antifungal activities against the yeasts Candida albicans, C. krusei, C. parapsilosis, and C. tropicalis. The EtOAc extract presented gnificant activity against Candida albicans with MIC at 125 {mu}g mL{sup -1}, and a moderate activity against both C. krusei and C. parapsilosis with MIC at 500 {mu}g mL{sup -1}. Candida tropicalis was not inhibited by this extract at concentrations as high as 1000 {mu}g mL{sup -1}. Based on these findings, the EtOAc extract was fractionated by silica gel column chromatography into nine fractions. The hexane and CHCl{sub 3} fractions showed varied levels of antifungal activity against all test yeasts. Further column chromatography separation of the hexane fraction afforded the pure compounds eupomatenoid-6, eupomatenoid-5, ...

Science.gov (United States)

Carbon isotope discrimination (?(13) C) is considered a useful indicator for indirect selection of grain yield (GY) in cereals. Therefore, it is important to evaluate the genetic variation in ?(13) C and its relationship with GY. A doubled haploid (DH) population derived from a cross of two common wheat varieties, Hanxuan 10 (H10) and Lumai 14 (L14), was phenotyped for ?(13) C in the flag leaf, GY and yield associated traits in two trials contrasted by water availability, specifically, rain-fed and irrigated. Quantitative trait loci (QTLs) were identified by single locus and two locus QTL analyses. QTLs for ?(13) C were located on chromosomes 1A, 2B, 3B, 5A, 7A and 7B, and QTLs for other traits on all chromosomes except 1A, 4D, 5A, 5B and 6D. The population selected for high ?(13) ...

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Short communication.

International Nuclear Information System (INIS)

The aim of the present study is to identify and characterize the antimalrial agents from traitional Sudanese medicinal plants. 49 plants parts representing 26 species from 15 families were extracted and screened for their in vitro antimalrial activity using P. falciparum strain 3D7 which is chloroquine sensitive and Dd2 strain which is chloroquine resistant and pyrimethamine sensitive.The plant species investigated exhibited diverse botanical families. They includes Annonaceae, Aristolochiaceae, Asteraceae, Balantiaceae, Caesalpiniceae, Celasteraceae, Cucurbitaceae, Fabaceae, Graminae, Meliaceae, Myrtaceae, Polygonaceae, Rubiaceae, Rutaceae, and simaroubaceae. The evaluation of these plants for their antimalarial activity and their effect on lymphocyte proliferation was carried out. 57 extracts were tested on the chloroquine sensitive strain (3D7). Where 34 extracts (59%) exhibited significant activity against 3D7 with IC_5_0 values #100 #mu# g/ml), where as Sonochous cornatus, ...

International Nuclear Information System (INIS)

... Inst. de Quimica. Dept. de Quimica Organica Miguez, Eduardo Tavares, Maria

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

Energy Technology Data Exchange (ETDEWEB)

Using discrete air sampling, values of {delta}{sup 13}C and {delta}{sup 18}O in atmospheric CO{sub 2}, as well as its concentration, were measured in a forest in the central part of the main island of Japan during the period from June 1994 to June 1996 to examine the biospheric contribution to their temporal variations. {delta}{sup 13}C shows a prominent diurnal variation with high values in the daytime and low values in the nighttime, especially during the warm season. {delta}{sup 13}C also vary seasonally, showing a maximum in summer and a minimum in spring. The diurnal and seasonal variations of {delta}{sup 13}C are opposite in phase with those of the CO{sub 2} concentration. The rate of change in {delta}{sup 13}C with respect to the CO{sub 2} concentration is found to be ...

Science.gov (United States)

... decoherence. Descriptors : *QUANTUM COMPUTING, NUCLEAR MAGNETIC RESONANCE, JOSEPHSON JUNCTIONS. Subject ...

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Science.gov (United States)

... M. Taylor, T. Kurt Kyser. (2009) Feather isotope analysis discriminates age-classes of Western, Least, and Semipalmated sandpipers when plumage ... ...

International Nuclear Information System (INIS)

Severe depletion of nutrients through removal of the above ground litter caused a cessation of growth of a Eucalyptus exserta forest in tropical China. Since there is no above ground input of C in this forest, microbial biomass (C_m_i_c) and soil organic C (C_o_r_g) are maintained by the below ground input only. By determining the maintenance requirement of the soil microflora, it should be possible to estimate the below ground production of this forest. To check this hypothesis the authors performed an experiment with labelled C. Since large scale production and field application of "1"4C labelled Eucalyptus litter were not feasible, 'naturally labelled' C_4 plant litter (Zea mays) was used. Maize litter has a #delta#"1"3C of -12.7 per mille as compared with a #delta#"1"3C of -30.7 per mille for Eucalyptus leaf litter. The "1"3C abundance is used to determine the amount of maize C in each of the soil layers. Investigations were made of how supplementation of the soil with litter ...

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The Ordos Basin, the second largest sedimentary basin in China, contains the broad distribution of natural gas types. So far, several giant gas fields have been discovered in the Upper and Lower Paleozoic in this basin, each having over 1000x10{sup 8}m{sup 3} of proven gas reserves, and several gas pools have also been discovered in the Mesozoic. This paper collected the data of natural gases and elucidated the geochemical characteristics of gases from different reservoirs, and then discussed their origin. For hydrocarbons preserved in the Upper Paleozoic, the elevated {delta}{sup 13}C values of methane, ethane and propane indicate that the gases would be mainly coal-formed gases; the singular reversal in the stable carbon isotopes of gaseous alkanes suggests the mixed gases from humic sources with different maturity. In the Lower Paleozoic, the {delta} {sup 13}C{sub 1} values are mostly similar with ...

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The objective of this work is to verify whether the home-made teas form Brazilian plants, used for control of childish diarrhea have been efficient reaching the composition recommended by World Health Organizations (WHO). This work has been carried out using the neutron activation analysis and the TRIGA MARK I reactor, the IPR-R1, in the Centro de Desenvolvimento da Tecnologia Nuclear - CDTN. (author). 4 refs., 2 tabs.

British Library Electronic Table of Contents (United Kingdom)

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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Ordos Basin, the second largest sedimentary basin in China, contains enormous natural gas resources. Each of the four giant gas fields discovered so far in this basin (i.e., Sulige, Yulin, Wushenqi and Jingbian) has over 100 billion cubic meters (bcm) or 3.53 trillion cubic feet (tcf) of proven gas reserves. This study examines the stable carbon isotope data of 125 gas samples collected from the four giant gas fields in the Ordos Basin. Source rocks in the Upper Paleozoic coal measures are suggested by the generally high {delta}{sup 13}C values of C{sub 2}-C{sub 4} gaseous hydrocarbons in the gases from the Sulige, Yulin and Wushenqi gas fields. The {delta}{sup 13}C values of methane, benzene and toluene in gases from the Lower Paleozoic reservoirs of the Jingbian field indicate a significant contribution from humic source rocks, as they are similar to those in the Upper Paleozoic reservoirs of the ...

UK PubMed Central (United Kingdom)

A technique of low-field pulsed proton nuclear magnetic resonance (NMR) spin relaxation is described for assessment of age-related structural changes (dentin and pulp) of human teeth in...Full Text Available

International Nuclear Information System (INIS)

2010 [1 p.] Germany Repp, Felix El-Miladi, Nouri Hoehl, Christian Jahanbakhsh,

British Library Electronic Table of Contents (United Kingdom)

The genetic type, source and charging history of natural gas in the Yulin gas field in the Ordos Basin have been studied by combining the carbon isotopic composition of natural gas and geochemical characteristics of light hydrocarbons with carbon isotope fractionation model results and fluid inclusion analysis. The carbon isotopic composition of methane and ethane in the Yulin gas field is relatively enriched in ^1^3C with d^1^3C1 values ranging from -35.3%% to -29.8%% (average value=-32.4%%) and d^1^3C2 ranging from -26.3%% to -23.5%% (average value=-24.8%%). The C7 light hydrocarbons are predominated by methylcyclohexane, accounting for 65.8% to 80.9% (average value=71.6%), which is characteristic of coal-derived gas. Furthermore, the gas geochemistry indicates that, although marine lime...

British Library Electronic Table of Contents (United Kingdom)

We fabricate a low noise erbium-doped fiber ring laser that can be continuously tuned over 102nm by insertion of the fiber Fabry-Perot tunable filter (FFP-TF) in the ring cavity with a novel cavity structure and the optimal gain medium length. As an application of this fiber ring laser, we performed the absorption spectroscopy of acetylene (13C2H2) and hydrogen cyanide (H13C14N) and measure the absorption spectra of more than 50 transition lines of these gases with an excellent signal to noise ratio (SNR). The pressure broadening coefficients of four acetylene transition lines are obtained using this fiber ring laser and an external cavity laser diode.

International Nuclear Information System (INIS)

This paperwork explain the method of water sampling to obtain the precipitate of BaCO3 solutions that will be used to analyze 13C from field work in Kelana Jaya, Selangor, Langkawi, Kedah and Taiping, Perak. The sampling involves collecting of water samples for groundwater from boreholes and surface water from canal, river, pond and ex-mining pond from several locations at the study sites. This study also elaborates the instruments and chemicals used. The main purpose of this sampling is to obtain the precipitate of BaCO3 for 13C analysis of dissolved inorganic carbon (DIC). A correct sampling method according to standard is very important to ensure an accurate and precise result. With this, the data from the laboratory analysis result can be fully utilized to make the interpretation of the pollutants movement. (Author)

British Library Electronic Table of Contents (United Kingdom)

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...

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, ...

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In this work was made an assessment of the supramolecular structures presents into human breast tissue normal and pathological samples, as well as into two types of animals samples (tendon chicken and pork fat) using the small angle x-ray scattering (SAXS) technique. The scattering profiles of the samples were determined at the momentum transfer range O.150nm{sup -1}<=5:q(=4pi.sin({theta}/2)/{lambda})<=8.500nm{sup -1}. In this range, it was possible identify structures corresponding to collagen fibrils (glandular tissue) and to triacylglycerides (adipose tissue) from the correlation between the information extracted from the human breast tissues scattering profiles and those extracted from animals samples. (author)

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[sup 13]C epitaxial diamond films have been grown on [sup 12]C-type IIb diamond substrates doped with boron, using electron assisted chemical vapor deposition. The relation between etch pits to dislocations in [sup 13]C diamond film and the broadening of the first-order Raman peak was examined. The reactant gas was [sup 13]CH[sub 4] of > 99% purity. The substrate temperature was varied from 943 to 1300 C. The uneven surface morphology was confirmed by atomic force microscopy (AFM) and laser microscopy. From 943 to 1030 C, etch pit rows along left angle 100 right angle were observed. At 991 C, the etch pit density on a row was 3300 to 5000 pits/cm. The Ar[sup +] laser beam was focused on a transparent area near the row of etch pits, where the boron impurity of the substrate is less than several 10 ppm. The first-order Raman line of [sup 13]C epitaxial diamond ...

International Nuclear Information System (INIS)

The fluorescence properties of protopine and allocryptopine in aqueous and organic environments are described for the first time. The fluorescence of alkaloids and their pH-dependent interconversion to cationic forms (transannular interaction) were studied using steady-state and time-resolved fluorescence techniques. For the analysis of tricyclic base and cis/trans tetracyclic cations of the alkaloids, NMR and X-ray crystallography were used. - Highlights: ? We describe fundamental fluorescence characteristics of alkaloids protopine and allocryptopine. ? We analyzed the pH-dependent transitions and cis/trans isomerization. ? These two alkaloids can be better distinguished by their fluorescence decay characteristics. ? The fluorescence parameters are related to the NMR and crystallographic structural data.

UK PubMed Central (United Kingdom)

The product-operator formalism is the most commonly used tool for describing and designing multidimensional NMR experiments. In spite of its relative simplicity and sound theoretical underpinnings,...Full Text Available

International Nuclear Information System (INIS)

... Commission, Rio de Janeiro Rio de Janeiro, RJ (Brazil) 26-27 Nov 1998 1

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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 followed to avoid ...

International Nuclear Information System (INIS)

Page 1. ANALYSIS OF REACTION MIXTURE OF LAURIC ACID WITH MONO-

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)

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

Science.gov (United States)

None of the materials presently in common use for polarized proton targets has a pure carbon nuclear background. The alcohols and diols contain some oxygen, and the ammonia and amine-based materials contain nitrogen and/or other noncarbon species. In the latter cases the noncarbon nuclei are measurably polarized as a concomitant of the process used to polarize the hydrogen nuclei. The relative simplicity of a pure carbon background would be advantageous for most types of scattering experiments and perhaps crucial for some. In addition to simplifying the kinematics of background events, pure carbon is relatively easy to prepare as a dummy'' target for background subtraction. Also, in such a target material, [sup 13]C-enrichment would yield a clean polarized [sup 13]C material. In this note I explore the possibilities for such materials, touching upon only what I consider to be the ...

British Library Electronic Table of Contents (United Kingdom)

We operate a new NEC 250kV single-stage accelerator mass spectrometer (SSAMS) next to our established 5MV tandem. This permits good comparison of 14C-AMS and challenges SSAMS performance. Initial SSAMS ion-optical deficiencies have been addressed by shimming the injection magnet and 3permil 14C/13C measurement with background limited by sample chemistry is routine. Higher-precision analysis is also achievable. A problematic measurement interference remains, however. The small spectrometer was procured to add measurement capacity, and for experiments with positive ions, but is now the preferred instrument for both convenience and measurement quality.

International Nuclear Information System (INIS)

The effects of a daily 3-g supplement of betaine on kinetic aspects of L-[2H3-methyl-1-13C]methionine (MET) metabolism in healthy young adult men were explored. Four groups of four subjects each were given a control diet, based on an L-amino acid mixture supplying 29.5 and 21.9 mg.kg-1.d-1 of L-methionine and L-cystine for 4 d before the tracer study, conducted on day 5 during the fed state. Two groups received the control diet and two groups received the betaine supplement. Tracer was given intravenously (iv) or orally. The transmethylation rate of MET (TM), homocysteine remethylation (RM), and oxidation of methionine were estimated from plasma methionine labeling and 13C enrichment of expired air. RM tended to increase (P = 0.14) but the TM and methionine oxidation were significantly (P less than 0.05) higher after betaine supplementation when estimated with the oral tracer. No differences were ...

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This works evaluates by punctuation the performance in conventional Brazilian industries radiation protection area which make use of small industrial gauges and industrial radiography. It proposes, procedures for industry self-evaluation, besides a new radiation protection plans pattern for the small industrial gauges area. The data source where inspection reports of Dosimetry Radiation Protection Institute/Nuclear Energy Commission conventional Brazilian industries' radiation protection plans, beyond visitation to the inspection place. The performance evaluation has been realized both in the administrative and operational aspects of the industries. About of 60% of the industries have a satisfactory register control which does not happen to the operational control. The performance evaluation advantage is that industries may self-evaluate, foreseeing Dosimetry Radiation Protection Institute's regulation inspections, correcting its irregularities, automatically ...

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In order to evaluate the effects of radioactivity on active vegetal substances, samples of Fennel (Foeniculum vulgare Miller., fructus), Guarana (Paulinia cupana, Kunth, semen), Gingko (gingko biloba, L., folium), and Kawa-Kawa (Piper methysticum G. Forst, rhizoma), were treated with scaling doses (0 to 25 KGy) of gamma radiation (Co{sup 60}). The 'blind test' methodology was used. The active substances from each sample were analysed by qualitative and quantitative methods after radiation. There were no significant differences seen between the control sample (0 KGy) and the irradiated samples. Microbe contamination was significantly reduced, about 10000 CFU/g, with the initial 5 KGy dose. It was concluded that gamma radiation can be used as an alternative procedure to reduce microbiologic contamination in medicinal plants. Before this procedure can be extended to other medicinal plants, more specific analytical methods are recommended to verify possible structural ...

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Perforated thermoplastic masks are used to provide patients immobilization. This procedure inserts a material in the path of the radiation beam, that attenuates and modifies the beam fluence and flatness. The present study evaluates the increase in skin dose as a result of using thermoplastic masks. Relative doses were measured on the surface of a solid water phantom, in the presence and absence of masks. These masks were stretched according to deformation patterns observed in clinical routine. The measurements were obtained with a plane-parallel chamber (Markus type 23343) and radiochromic film (EBT Gafchromic) for 6MV X-rays from a linear accelerator, and for a radiation beam from a cobalt therapy unit. The results showed that thermoplastic masks, whose thickness varied between 2 and 3 mm, increased the dose on the surface by a factor of 3. Due to the variations in the skin dose distribution, clinical procedures were suggested to minimize radiobiological damages in subcutaneous ...

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Red mud is a by-product of the alkaline extraction of aluminum from the bauxite and represents a renewed environmental problem due the significant annual throughput by the plants. In the present work, the pozzolanic properties of Brazilian red mud fired at 600, 700, 800 and 900 deg C were investigated by monitoring lime consumption using DTA analysis and Brazilian standard methodology NBR 5772 (1992). Products and kinetics of hydration were determined in cement pastes produced with 5 and 15% red mud using x-ray diffraction and DTA analysis. Compressive strength and capillary absorption tests were realized on mortars constituted by 5, 10 and 15% red mud in replacement of cement. When calcined at 600 deg C, the red mud develops good pozzolanic properties, and the compressive strength of mortars produced with this waste meet values in accordance with regulatory standard. These results shown than red mud can be used, in partial replacement of cement, as new construction material to produce ...

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This work is directly to analysis of atmosphere surrounding Ipiranga Refinery; witch is located in the city of Rio Grande, in estate of Rio Grande do Sul. The refinery is surrounded by neighborhood, witch are impacted by atmospheric emissions of refinery. The objective of this work is correlating the refinery to the inhabitants that lives near the refinery, using an environmental sustainability index. This work will be achieve by analysis of Polycyclic Aromatic Hydrocarbons (PAH) bounded in particulate matter with diameter of 100 {mu}m (PTS), the acquisition of health data on the city hospitals and correlation of this data with PAH concentrations in Particulate Matter. The Samples were obtain by FEPAM, witch have three samples sites in the center of city. The samples was obtained by a High Volume Sampler equipped with quartz fiber filters. The meteorological data important to this work, like wind direction and speed, will be obtain in Meteorological Station on FURG. The results expect ...

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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, when combined with TROSY- and CRINEPT-based experimental ...

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)

The homologous sequences observed for many calcium binding proteins such as parvalbumin, troponin C, the myosin light chains, and calmodulin has lead to the hypothesis that these proteins have homologous...Full Text Available

UK PubMed Central (United Kingdom)

The conformation of the self-complimentary DNA dodecamer d(br5CGbr5CGAATTbr5CGbr5CG) has been investigated in a variety of salt and solvent conditions by one and two-dimensional 1H NMR. In low salt...Full Text Available

UK PubMed Central (United Kingdom)

Major breakthroughs have recently been reported that can help overcome two inherent drawbacks of NMR: the lack of sensitivity and the limited memory of longitudinal magnetization. Dynamic nuclear polarization...Full Text Available

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

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

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

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.).

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)

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. Freude and J. Haase ''Quadrupole effects in solid-state NMR'' ...

International Nuclear Information System (INIS)

The elastic and inelastic scattering of "1"4C at 51 MeV from targets of "4"0Ca, "5"6Fe, "6"0Ni, "6"6Zn and "8"8Sr has been measured using a Q3D spectrometer. The "1"4C-nucleus potentials have been derived by optical-model analysis of the observed elastic scattering; the inelastic scattering differential cross sections were interpreted in the distorted-wave Born approximation and also in the coupled-channels approach. The analysis yields "1"4C-nucleus potentials that closely resemble "1"2sup(,)"1"3C and "1"6O potentials. (orig.).

International Nuclear Information System (INIS)

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

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PETROBRAS/TRANSPETRO Pipelines and Terminals have 500 regular employees and 5.064 out sourced workers in its Southeast Division. The out sourced employees work under 125 contracts involving a wide range of activities such as maintenance, pipeline operation, pipeline launching, engineering, administrative and auxiliary services. Among these workers, 1.200 peoples are subjected to occupational exposure, which may be present in the industrial process or in the products transported in our pipelines, e.g. industrial noise, sulfidric gas, toluene, xylene and benzene (recognized as a carcinogen according to ACGIH and Brazilian Ministry of Labour). Our PPRA (acronym in Portuguese for Occupational Exposure Prevention Program) involves the workforce and fosters health by anticipation, recognition, evaluation and control of the situations that may result in injuries. Further actions include the procurement of equipment for detection of these agents not only in the air but also diluted in liquids ...

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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 ...

International Nuclear Information System (INIS)

#beta#-SiAlON was synthesized from a zeolite by NH_3 gas nitridation and its formation mechanism was investigated using X-ray diffraction and "2"9Si and "2"7Al NMR spectroscopy. It was revealed that most of the Si and Al atoms react to form #beta#-SiAlON via amorphous forms of Si-Al-O-N and O-SiAlON. Nitridation using NH_3 gas is an effective means of preventing mullite formation and promoting the introduction of nitrogen into aluminosilicate materials at lower temperatures than temperatures required by the carbothermal reduction nitridation process. Further, the NMR spectra showed that the siliceous part of the system changed into low z-value of Si_6_-_zAl_zO_zN_8_-_z (#beta#-SiAlON) and the incorporation of Al components into the #beta#-SiAlON was promoted in the later stages of the reaction. (author)

CERN Document Server

We report $^{7}$Li pulsed NMR measurements in polycrystalline and single crystal samples of the quasi one-dimensional S=1 antiferromagnet LiVGe$_2$O$_6$, whose AF transition temperature is $T_{\\text{N}}\\simeq 24.5$ K. The field ($B_0$) and temperature ($T$) ranges covered were 9-44.5 T and 1.7-300 K respectively. The measurements included NMR spectra, the spin-lattice relaxation rate ($T_1^{-1}$), and the spin-phase relaxation rate ($T_2^{-1}$), often as a function of the orientation of the field relative to the crystal axes. The spectra indicate an AF magnetic structure consistent with that obtained from neutron diffraction measurements, but with the moments aligned parallel to the c-axis. The spectra also provide the $T$-dependence of the AF order parameter and show that the transition is either second order or weakly first order. Both the spectra and the $T_1^{-1}$ data show that $B_0$ has at most a small effect on the alignment of the AF ...

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 aluminum content. The maxima in catalytic ...

International Nuclear Information System (INIS)

Effects of #gamma#-irradiation on synthetic polymers and paper used as packaging materials for irradiated food have been studied by NMR. Polystyrene, polybutadiene and some copolymers were studied before and after the #gamma#-irradiation treatment and in the presence or absence of antioxidants and stabilisers. In the absence of additives, the effect of #gamma#-irradiation on polystyrene is negligible even irradiating at high doses. In turn, the role of antioxidants and stabilisers is crucial in polybutadiene and butadiene-containing copolymers. Wood pulp paper was also studied by NMR. Preliminary measurements on #gamma#-irradiated wood pulp sheets show a shortening in the T_2 relaxation time component due to the bound water, i.e. some of the bound water is lost. (author)

International Nuclear Information System (INIS)

The purpose of this work is the elucidation of the f"n electronic structure of neutral mono base adducts derived from tris(#eta#"5-cyclopentadienyl)-lanthanide(III) (Cp_2Ln). The available data on related compounds like bis adducts and anionic mono adducts of the same moiety was also analyzed. The first aim was to derive the experimental crystal field splitting pattern from optical, magnetooptical and magnetochemical measurements and to reproduce it using an empirical Hamiltonian operator. The eigenvalues and eigenvectors obtained in this manner were used for a quantitative interpretation of the magnetochemical, EPR- and NMR-spectroscopic properties. For the latter subject it was necessary to develop an own procedure for the NMR analysis of paramagnetic compounds. This method is based on factor analysis and as demonstrated in the second part of this work, is clearly superior to all previous procedures. (orig.).

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...

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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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Reaction kinetics for the displacement of 5-aminoquinoline (5-Aq) and diethyl sulfide (SEt{sub 2}) from cis-[PtPh{sub 2}(CO)(L)] (L = 5-Aq or SEt{sub 2}) by aliphatic amines was measured for a wide array of amines. Reaction products were characterized by IR and NMR spectroscopies and crystalk structures of selected products were reported. Steric effects on the substitutions were discussed.

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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.

UK PubMed Central (United Kingdom)

Phospholamban (PLB) is a 52-amino acid integral membrane protein that helps to regulate the flow of Ca²⁺ ions in cardiac muscle cells. Recent structural studies on the PLB pentamer...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Analysis of published NMR relaxation data of /sup 6/Li and /sup 7/Li in Li/sub 3/N leads to a unique model fo Li/sup +/ hopping along the c-axis. It is one in which an ion goes directly from one Li(1) plane to another Li(1) plane by passing through the intermediate Li(2) plane.

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

British Library Electronic Table of Contents (United Kingdom)

Besarhanamides A (1) and B (2) are fatty acid amides purified from the marine cyanobacterium, Lyngbya majuscula, collected from Pulau Hantu, Singapore. The structure determination of these secondary metabolites was carried out using extensive 2D NMR spectral data as well as chemical manipulations including the Marfey's method. In addition, besarhanamide A exhibited moderate toxicity with LD50 at 13mM in the brine shrimp toxicity bioassay.

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Identifying stable isotope variation and mineralogical changes in fractured rock may help establish the history of climatic and geomorphological processes that might affect the isolation properties of a waste repository site. This study examines the use of the stable isotope ratios of oxygen ({sup 18}O/{sup 16}O) and carbon ({sup 13}C/{sup 12}C) in authigenic minerals as hydrogeochemical tools tracing low-temperature rock-water interaction in variably-saturated fractured stuff. Isotopic compositions of fracture-filling and rock matrix minerals in the Apache Leap tuff, near Superior, Arizona were concordant with geothermal temperatures and in equilibrium with water isotopically similar to present-day meteoric water and groundwater. Oxygen and carbon isotope ratios of fracture-filling, in unsaturated fractured tuff, displayed an isotopic gradient believed to result from near-surface isotopic enrichment due to evaporation rather than the effects ...

British Library Electronic Table of Contents (United Kingdom)

A series of new non-discoid chiral copper(ii)-salen type complexes, [Cu((4-CnH2n+1O)2salen)], n = 14, 16, 18 and salen = N,N'-cyclohexane bis (salicylideneiminato), containing 4-substituted alkoxy tails in the side aromatic rings and a cyclohexane spacer, have been prepared and their mesogenic properties investigated. The compounds were characterised by Fourier transform infra-red spectroscopy, 1H and 13C nuclear magnetic resonance spectroscopy, UV-vis spectroscopy and fast atom bombardment mass spectrometry. Mesomorphic properties of these compounds were studied by polarising optical microscopy, differential scanning calorimetry and X-ray diffraction (XRD). The ligands are non-mesogenic but the complexes exhibited enantiotropic rectangular columnar mesophases (Colr) with extended temperat...

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Using a Q3D magnetic spectrometer the elastic and inelastic scattering of /sup 12/C on /sup 88/Sr and the neutron pick-up (/sup 12/C, /sup 13/C) has been studied. The spin alignment of the inelastically excited 2/sup +/ state of /sup 12/C (4.43 MeV) has been deduced from the line shapes broadened by the ..gamma..-decay in flight. Thus for each m-substate a full angular distribution was obtained. The m = 1 substate shows a shifted interference minimum, which is explained by the different strength of the Coulomb and nuclear amplitudes in the m-substates. The analysis of the data on elastic scattering, inelastic scattering, alignment and the neutron transfer can be described consistently with one choice of the optical model parameters.

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The origin of natural gas in the Japanese oil and gas fields are geochemically studied. Samples are taken from structural natural gas, surface gas seepage, water-dissolved natural gas and coal-field gas of the Japan Sea coast area. The origins of primary hydrocarbons are classified into bacteria gas and thermogenic gas, the latter being subclassified into gas in oil production zone with the per million deviation of the carbon isotope (/sup 13/C/sup 1/) of methane less than -35 and those gases with maturity higher than this. Surface gas seepage is subjected to migration and bacterial oxidation. Coal gas is similar to oil gas. The CO/sub 2/ concentration is 0 - 2% and /sup 13/CO/sub 2/ deviations from -30 - +30. The origin can be barely estimated from the isotopic composition because of the wide secondary change in the composition. The origin and migration of gas from the gas field of northern Niigata are not similar to those in the southern ...

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A stable isotope mass-balance of dissolved inorganic carbon during a blue-green algae bloom in a softwater lake demonstrates that at low partial pressure of carbon dioxide there must be a large net negative carbon isotope fractionation between atmospheric CO/sub 2/ and the CO/sub 2/ absorbed by lake water at pH = 9.5. Chemical enhancement of CO/sub 2/ invasion at high pH by the reaction CO/sub 2/ + OH/sup -/ ..-->.. HCO/sub 3//sup -/ at large apparent film thicknesses may result in carbon isotope fractionation approaching that for a hydroxide solution. This phenomenon, coupled with a decrease in the photosynthetic fractionation, forced the surface water of a softwater lake to achieve increasingly negative delta /sup 13/C values during an algal bloom, which is in the opposite sense to the trend that results from photosynthesis under less extreme conditions. This and other similar systems must operate under non-equilibrium (kinetic) ...

International Nuclear Information System (INIS)

The cross sections for /sup 250/Fm, /sup 244-246/Cf, /sup 242-244/Cm, and /sup 242/Am/sup g/ produced by the /sup 12/C+ /sup 242/Pu and the /sup 16/O+ /sup 238/U reactions leading to the same compound nucleus of /sup 254/Fm have been measured by using radiochemical methods. The excitation functions show that the difference between the /sup 12/C+ /sup 242/Pu and the /sup 16/O+ /sup 238/U reactions can be attributed mainly to the Coulomb barriers. Our results were compared with others reported previously for /sup 22/Ne+ /sup 232/Th, /sup 12/C+ /sup 238/U, /sup 12/C+ /sup 240,241/Pu, /sup 13/C+ /sup 241/Pu, /sup 16/O+ /sup 233/U, and /sup 16/O+ /sup 242/Pu reaction systems, and support a mechanism involving transfer of #alpha#-particle clusters (C,Be,He) from projectile to target for the production of Cf and Cm isotopes.

CERN Document Server

We have performed multicanonical Monte Carlo simulations of C-peptide of ribonuclease A. It is known by CD and NMR experiments that this peptide has high alpha-helix content in aqueous solution and that the side-chain charges of residues Glu-2$^-$ and His-12$^+$ play an important role in the stability of the alpha-helix. In order to confirm these experimental implications, we have used two analogues of the peptide with charged and neutral side chains of Glu-2 and His-12. Two dielectric functions, distance-dependent and constant, are considered to study the effects of solvent contributions. All the simulations were started from random initial conformations. Various thermodynamic quantities such as average helicity as a function of residue number and average distance between two side chains as a function of temperature are calculated. The results are found to be in accord with the implications of CD and NMR experiments. The lowest-energy ...

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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 equilibrium population or to ...

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 and Al[6] in ...

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 maximum in T_c. (orig.).

International Nuclear Information System (INIS)

The available experimental data on the specific heat, magnetic susceptibility, magnetization, valence, NMR Knight shift and relaxation rate, and the quadrupolar moment of YbPd_2Si_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_2Si_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-T properties. These three doublets should have a splitting of the order of the Kondo temperature, i.e., about 100 K. A simple resonant-level model ...

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The /sup 31/P NMR method was first applied to characterize in vivo phosphorylation of H1 and H5 in calf thymus and chicken erythrocytes as well as in vitro phosphorylation of H1 and H5 by cAMP-dependent protein kinase. The amino acid residues phosphorylated in vivo in the histones were exclusively serine residues, and the mole fraction of phosphoserine was estimated to be 0.34 and 0.27 per molecule of calf thymus H1 and chicken erythrocyte H5, respectively. Interestingly, chicken erythrocyte H1 was not phosphorylated in vivo. Three H1 subtypes from calf thymus H1 varied in the /sup 31/P NMR spectra, and the bisected fragments of calf thymus H1 and chicken erythrocyte H5 exhibited characteristic spectral patterns, indicating that there are considerable diversities of the degree of phosphorylation and phosphorylation sites in very-lysine-rich histones. Furthermore, it was found that the microenvironment of phosphoserine residues phosphorylated in ...

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The effect of the external pH on the intracellular pH in mung bean (Vigna mungo (L.) Hepper) root-tip cells was investigated with the T P nuclear magnetic resonance (NMR) method. The T P 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.

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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 ascites. We hope that ...

Science.gov (United States)

The dealumination of mordenite by acidification (HCl, HNO/sub 3/) and by SiCl/sub 4/ and steaming treatments is followed by high-resolution magic-angle-spinning solid-state /sup 29/Si and /sup 27/Al NMR spectroscopy. The combined use of these techniques leads to the determination of the silicon-aluminum ordering. It is demonstrated that aluminum atoms preferentially occupy tetrahedral positions in the four-membered rings of the mordenite structure. In addition, a mechanism of dealumination can be inferred, consisting in removing the aluminum atoms two by two from the four-membered rings. It is also possible to compute the number of SiOH groups left in the unit cell after the progressive removal of aluminum atoms: four groups per extracted Al atom are generated in the beginning of dealumination and this number gradually decreases to two, suggesting that a structural reorganization must necessarily occur for substantial dealumination. These silanol groups are also ...

Science.gov (United States)

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

International Nuclear Information System (INIS)

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)

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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.

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XVTa and XXTa nuclei were oriented at low temperature as dilute impurities in Fe. The magnetic hyperfine splitting frequencies = B sub(HF)/Ih of the XVTa and XXTa ground states have been measured to be 320.45(11) and 317.552(55) MHz by using the technique of NMR-ON. Taking the known hyperfine field of Y Ta in Fe, the magnetic moments have been deduced: ( XVTa, 7/2 ) =2.270(45) and ( XXTa, 7/2 ) =2.250(45) sub(N). These values of the magnetic moments are discussed in the framework of the rotational model.

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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.

Science.gov (United States)

We have designed a new nucleobase, benzodeazaadenine (BDA) that has a stronger charge transport ability than guanine and is not destroyed during charge transport process. By incorporating this new nucleobase into DNA, we demonstrated a protocol for real DNA nano-wire that is far superior to natural DNA. We also demonstrated that the selectivity for the interaction of Mn(II) ion with guanine N7 in G runs is a HOMO-controlled process, and as a consequence, the selectivity for G-metal ion interactions obtained by 15N-NMR studies would directly reflect the HOMO distribution of G-containing sequences in B-DNA. PMID:12903077

International Nuclear Information System (INIS)

This paper describes the chemical constituents isolated from aerial parts of the plant Galianthe brasiliensis. From a methanol extract, the iridoid glycosides asperuloside, deacetylasperuloside, mixture of Z- and E-6-O-p-coumaroylscandoside methyl ester, the triterpene ursolic acid and the steroids stigmasterol, campesterol, b-sitosterol and 3-O-b-glucopyranosyl sitosterol were isolated. The structures of the natural products were identified on the basis of spectral data, including 2D NMR experiments. The antiproliferative properties of the crude methanolic extract were investigated against a series of nine human cancer cell lines. (author)

Energy Technology Data Exchange (ETDEWEB)

NMR spectroscopy combined with paramagnetic relaxation agents was used to study the positioning of the 40-residue Alzheimer Amyloid {beta}-peptide A{beta}(1-40) in SDS micelles. 5-Doxyl stearic acid incorporated into the micelle or Mn{sup 2+} ions in the aqueous solvent were used to determine the position of the peptide relative to the micelle geometry. In SDS solvent, the two {alpha}-helices induced in A{beta}(1-40), comprising residues 15-24, and 29-35, respectively, are surrounded by flexible unstructured regions. NMR signals from these unstructured regions are strongly attenuated in the presence of Mn{sup 2+} showing that these regions are positioned mostly outside the micelle. The central helix (residues 15-24) is significantly affected by 5-doxyl stearic acid however somewhat less for residues 16, 20, 22 and 23. This {alpha}-helix therefore resides in the SDS headgroup region with the face with residues 16, 20, 22 and 23 directed away ...

International Nuclear Information System (INIS)

The UW-Penning Trap Mass Spectrometer (PTMs) is ideally suited for high precision measurements of atomic masses throughout the periodic table upon using highly-stripped ions. However, at the present time, this device has been applied extensively to the light elements ("1H, "2H, "3H, "3He, "4He, "1"2C, "1"3C, "1"4N, "1"6O) due to their fundamental importance. Atomic masses follow immediately from a comparison with some multiply-charged carbon ion, after correcting for the lost electrons and their corresponding binding energies. For instance, the most recent C"5"+/C"6"+ comparison yielded a discrepancy of -0.30(33) ppb, limited only by the magnetic field instability for a 40-h run. The initial emphasis on hydrogen has now produced a 1-ppb value for the proton's atomic mass and similar work with deuterium has yielded a 2.5-ppb value for the neutron's atomic mass. However, the most significant result is the "3H-"3He mass difference = 18,590.1(17) eV which is determined from independent ...

International Nuclear Information System (INIS)

Nuclear Reaction Analysis (NRA) with deuteron ion beams has been used to probe for ion implanted nitrogen and carbon with high sensitivity in zinc oxide and silicon single crystals. The ion implanted N was measured using 1.4 MeV deuteron ion beams and was found to be in agreement with calculated values. The limit of detection for N in ZnO is 8x1014 ions cm-2. Raman measurements of the ion implanted samples showed three additional modes at 275, 504, and 644 cm-1 compared to the un-implanted ZnO crystals. The NRA and Raman results provided information on the N concentration, depth distribution, and structural changes that occur in dependence on the nitrogen ion fluences. The deuterium induced 12C(d,p)13C reaction was used to measure the carbon impurity/dose in ion implanted silicon. It was found that the use of a large cold shield (liquid nitrogen trap) in the ion implanter chamber greatly reduces the amount of carbon impurity on the surface of ...

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The carbon isotope profiles of shallow-marine carbonates from the Barremian-Aptian Kharaib and Shuaiba formations of the Arabian Gulf region range between 0.5 and 7{per_thousand} {delta}{sup 13}C PDB (Peedee belemnite). Systematic variations can be correlated with isotope profiles reported from Tethyan pelagic limestone sequences. The detailed correspondence between the isotopic signature of the relatively well-dated pelagic limestones and the poorly dated shallow-water limestones from the Arabian Gulf region suggests that global marine carbon isotope changes apparently affected deep-sea and shallow-water carbonate sediments similarly and at a similar time resolution. Although oxygen isotopes have been reset during diagenesis, carbon isotopes appear to have maintained their primary marine signature through time. No evidence has been found to connect carbon isotope trends to subaerial exposure or later meteoric diagenesis. In combination with ...

Science.gov (United States)

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

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The quality of molecular dynamics (MD) simulations of proteins depends critically on the biomolecular force field that is used. Such force fields are defined by force-field parameter sets, which are generally determined and improved through calibration of properties of small molecules against experimental or theoretical data. By application to large molecules such as proteins, a new force-field parameter set can be validated. We report two 3.5 ns molecular dynamics simulations of hen egg white lysozyme in water applying the widely used GROMOS force-field parameter set 43A1 and a new set 45A3. The two MD ensembles are evaluated against NMR spectroscopic data NOE atom-atom distance bounds, {sup 3}J{sub NH{alpha}} and {sup 3}J{sub {alpha}}{sub {beta}} coupling constants, and {sup 1}5N relaxation data. It is shown that the two sets reproduce structural properties about equally well. The 45A3 ensemble fulfills the atom-atom distance bounds derived from ...

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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)

British Library Electronic Table of Contents (United Kingdom)

In the present work, quaternary chitosans as water-soluble compounds were prepared based on three-step process. Schiff bases were firstly synthesized by the reaction between the amino groups of chitosan with aliphatic aldehydes followed by a reduction with sodium borohydride (NaBH4) to form N-(alkyl) chitosans. N,N,N-(dimethyl alkyl) chitosans were then obtained by a reaction of chitosan containing N-butyl, N-pentyl, N-hexyl, N-heptyl, and N-octyl substituents with methyl iodide. The compounds were characterized using IR and NMR spectroscopy. Subsequent experiments were conducted to test their antimicrobial activities against the most economic plant pathogenic bacteria of crown gall disease Agrobacterium tumefaciens, soft mold disease Erwinia carotovora, fungi of grey mold Botrytis cinerea...

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The relationship between microstructure and macro properties of different cementitious materials has been investigated. This study consists of the following tasks: using NMR and IR to better characterize the amorphous and poorly crystalline phases that occur in blended cements; characterizing the microstructure of the hydration products of modified Portland cement as a function of different percentages of pozzolan replacements by ESEM, SEM, and EDS; comparing the properties of blended cement pastes with a control group of normal Portland cements; and studying the engineering aspects of blended cement that are important for identifying and characterizing fundamental phenomena that are responsible for their durability. The overall influence of the nanoscale and microscale structure of blended and Portland cement on the properties of the resultant composite will be discussed.

British Library Electronic Table of Contents (United Kingdom)

Premnalatifolin A (1), a unique icetexane diterpene dimer was isolated from the stem-bark of Indian medicinal plant, Premna latifolia. Its structure and relative stereochemistry were elucidated on the basis of detailed spectroscopic analysis, including HRESIMS and 2D NMR (COSY, HSQC, HMBC, and NOESY) spectra. The compound has dimeric carbon skeleton composed of two icetexane skeletal diterpenes linked via ether bond. Further, premnalatifolin A (1) was also evaluated for its cytotoxicity against cancer cell lines (HT-29, A-431, MCF-7, Hep-G2, PC-3, A-549, B-16 F10, and ACHN), which displayed potent activity against HT-29 and MCF-7 cell lines with the IC50 values of 12.15 and 1.11mg/mL, respectively.

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This paper describes the search for new potential chemotherapeutic agents based on transition metal complexes with planar ligands. In this study, palladium polypyridyl complexes were synthesized and characterized by elemental analysis, NMR, UV-VIS and IR spectroscopies. The interaction of the complexes with DNA was also investigated by spectroscopic methods. All metal-to-ligand charge transfer (MLCT) bands of the palladium polypyridyl complexes exhibited hypochromism and red shift in the presence of DNA. The binding constant and viscosity data suggested that the complexes [PdCl{sub 2}(phen)] and [PdCl{sub 2}(phendiamine)] interact with DNA by electrostatic forces. Additionally, these complexes induced an important leishmanistatic effect on L. (L.) mexicana promastigotes at the final concentration of 10 {mu}mol L{sup -1} in 48 h. (author)

International Nuclear Information System (INIS)

"1"7"5Ta and "1"7"7Ta nuclei were oriented at low temperature as dilute impurities in Fe. The magnetic hyperfine splitting frequencies #nu#="+#mu#B sub(HF)/Ih"+ of the "1"7"5Ta and "1"7"7Ta ground states have been measured to be 320.45(11) and 317.552(55) MHz by using the technique of NMR-ON. Taking the known hyperfine field of "1"8"1Ta in Fe, the magneticmoments have been deduced: "+#mu#("1"7"5Ta, 7/2"+)"+=2.270(45) and "+#mu#("1"7"7Ta, 7/2"+)"+=2.250(45)#mu# sub(N). These values of the magnetic moments are discussed in the framework of the rotational model. (author).

Energy Technology Data Exchange (ETDEWEB)

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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Protein motions on all timescales faster than molecular tumbling are encoded in the spectral density. The dissection of complex protein dynamics is typically performed using relaxation rates determined at high and ultra-high field. Here we expand this range of the spectral density to low fields through field cycling using the nucleocapsid protein of the SARS coronavirus as a model system. The field-cycling approach enables site-specific measurements of R{sub 1} at low fields with the sensitivity and resolution of a high-field magnet. These data, together with high-field relaxation and heteronuclear NOE, provide evidence for correlated rigid-body motions of the entire {beta}-hairpin, and corresponding motions of adjacent loops with a time constant of 0.8 ns (mesodynamics). MD simulations substantiate these findings and provide direct verification of the time scale and collective nature of these motions.

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Asphaltenes precipitated from an Arabian Mix vacuum residue were hydrocracked in a batch autoclave at 435 and 460{degree}C for 5-90 min. Experiments without catalyst, with modified red mud and with an industrial Co Mo/Al{sub 2}O{sub 3} catalyst were compared. The products were fractionated into gas, naphtha, oil, asphaltenes and coke. Feed asphaltenes and several product fractions were characterised by elemental analysis, by average molecular mass and by {sup 1}H n.m.r. Due to the hydrogenation activity, both catalysts caused - with similar efficiency - the decrease of coke formation and the increase of quantity and quality of oil. 21 refs., 9 figs., 5 tabs.

British Library Electronic Table of Contents (United Kingdom)

The leaf extract from the plant Piliostigma reticulatum was found to exhibit antimicrobial activity against some bacteria and fungi such as Staphylococcus aureus (NCTC 6571), Escherichia coli (NCTC 10418), Bacillus subtilis (NCTC 8236), Proteus vulgaris (NCTC 4175), Aspergillus niger (ATCC 10578) and Candida albicans (ATCC 10231). Upon investigation of the chemical constituents present in the leaf extract, a total of seven compounds were isolated and their structures were unambiguously established by spectroscopic methods including HR-MS and NMR spectrometry. Four of the isolated compounds were novel, namely 6-C-methyl-2-p-hydroxyphenyloxychromonol (piliostigmol), 1, 6,8-di-C-methylquercetin-3,3prime,7-trimethyl ether, 2, 6,8-di-C-methylquercetin-3,3prime-dimethyl ether, 3 and 3prime,6,8,-...

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

The phytochemical investigation of Chomelia obtusa leaves led to the isolation of four triterpenes (3-O-#beta#-D-quinovopyranosyl-28-O-#beta#-D-glycopyranosyl quinovic acid, 3-O-#beta#-D-quinovopyranosyl-28-O-#beta#-D-glycopyranosyl cincholic acid, and a mixture of ursolic and oleanolic acids), two flavonoids (3-O-#beta#-D-glycopyranosyl quercetin, 3-O-[#alpha#-L-rhamnopyranosyl-(1#->#6)-#beta#-D-galactopyranoside] quercetin), besides bornesitol and a mixture of 3,5- and 4,5-O-dicaffeoyl quinic acids. The structures of the isolated compounds were assigned on the basis of spectroscopic data, including two-dimensional NMR methods. The anti-inflammatory and antioxidant activities of the crude methanolic extract and of its fractions were evaluated. This is the first report on the chemical and biological investigation of the Chomelia genus. (author)

British Library Electronic Table of Contents (United Kingdom)

This is a report of extraction and identification of 1-O-alkyl glycerol present in the dried leaves of Bauhinia scandens. Fifty percent aqueous ethanolic extract of the plant at room temperature was fractionated over petroleum ether and diethyl ether. The diethyl ether soluble fraction showed positive bioactivity in Brine Shrimp bioassay. Isolation and purification of the active principle was subsequently done from diethyl ether fraction. The diethyl ether fraction was separated into acidic and neutral part. The acid free fraction was screened to be positive in Brine Shrimp bioassay. The NMR spectra (in CDCl3) indicated the probability of its lipoidal nature. The total lipid fraction was resolved into neutral, glyco, and phospho-lipids by column chromatography. Only the neutral fraction sh...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Structure and magnetic properties of UNi_1_0_-_xFe_xSi_2 intermetallics and "2"9Si nuclear magnetic resonance (NMR) in UNi_1_0Si_2 are investigated in a wide temperature range. Solid solutions in the exactly single-phase tetragonal form, ThMn_1_2 type, exist for x<2. The Ni and Fe atoms occupy the 8(f), 8(i) and 8(j) positions statistically, whereas the U atoms occupy the 2(a) and the Si atoms the 8(j) sites. The lattice parameters roughly follow Vegard's law. The magnetic susceptibility does not exhibit Curie-Weiss behaviour and, at about 630 K, an anomaly in the temperature dependence is observed. At low temperature, other anomalies are observed at 32 K and 45 K, for x=0.5 and 1.0 respectively. These low temperature anomalies are probably connected with magnetic ordering of a ferromagnetic character, whereas that at 630 K might result from the superparamagnetic state of Ni. Two "2"9Si NMR lines in UNi"1"0Si"2 were observed with the Knight ...

Science.gov (United States)

The kainoid amino acids are biologically important compounds because they show remarkable neuroexcitatory and excitotoxic activities. For exhibiting potent activity, the stereochemical relationship of the substituents on the pyrrolidine ring is crucial. We found simple methods for determining the relative stereochemistry of these compounds on the basis of the (1)H NMR chemical shifts of H-2 and H-4 in D(2)O solution. The signals of H-2 appear at fields higher than 4.2 ppm when the compounds have 2,3-trans stereochemistry whereas, in the 2,3-cis compounds, they appear lower than 4.2 ppm, irrespective of the C-4 substituent. This criterion holds when the solution is in the range of pD 3-8. Moreover, when an epimeric pair at C-2 is available and the spectra are recorded at the same or nearly equal pD, the H-2 chemical shift of the 2,3-trans isomer is higher than that of the corresponding 2,3-cis isomer. Similarly, the relative stereochemistry between C-3 and C-4 can ...

Energy Technology Data Exchange (ETDEWEB)

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 sensitive to the ...

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 K and is almost ...

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 indicate significant ...

Energy Technology Data Exchange (ETDEWEB)

Spin-polarized liquid helium-3 is prepared by laser optical pumping in low magnetic field and at room temperature, prior to fast liquefaction of the polarized sample. The use of a new helium-3 cryostat enabled us to obtain liquid helium-3 with polarization rates up to 25 % at well-stabilized temperatures (around 0.5 K). We could thereby study the effect of nuclear polarization on liquid-vapour equilibrium, and particularly on the saturated vapour pressure. Very sensitive capacitive gauges were developed. We estimated (to first order in M{sup 2}) the expected effects when the polarization M is suddenly destroyed. These effects were experimentally observed in helium-3/helium-4 mixtures, in pure helium-3, only a transient increase in pressure has been recorded. We then describe in a third part a preliminary experiment which aimed at determining the longitudinal relaxation time T1 in mixtures. Relaxation on the walls is efficiently reduced by a cesium coating and T1s of order 20 minutes ...

International Nuclear Information System (INIS)

It has been previously stated that the minimum physiological recommendations for the indispensable amino acids in health adults, as proposed by FAO/WHO/UNU in 1985, are far too low, except for the methionine. An amino acid stable isotopic kinetic study was conducted to seek further experimental support to this hypothesis. Twenty healthy young men received an l-amino acid based diet, supplying 140 mg N.kg"-"1.d"-"1, patterned on egg protein for 1 week, then for 3 weeks either i) a pattern based on current international recommendations (FAO diet, n=7), ii) a the tentative Laboratory of Human Nutrition of the Massachusetts Institute of Technology, new amino acid recommendation pattern (MIT diet, n=7) or iii) again the egg hen pattern (EGG diet, n=6). All subjects were again studied for one final, consecutive week of the egg diet. At the end of the initial week, at the first and third week with the three experimental diets,and after three days following the return of the egg diet, an 8 h ...

International Nuclear Information System (INIS)

The effect is reported of seven inorganic oxide additives on both the formation mechanism and the densification of X-Sialon prepared by a silicothermal process. The oxides were added to the starting mixture of halloysite clay, alumina and elemental silicon at a level of 1 wt% of the calculated final product, and fired in nitrogen at 1200-1500 deg C. The formation of X-Sialon was monitored by thermal analysis, powder XRD and 2"7"Al and "2"9Si solid state MAS NMR The effects of the additives are temperature dependent and influence the various stages of the reaction by differing degrees. The oxides which best promote the formation of crystalline X-Sialon (Y_2O_3, CaO and MgO) are also those which facilitate the conversion of initially-formed Si_3N_4 to SiO_2N_2 and SiO_3N units. Densification is most enhanced by Y_2O_3 CaO and CeO_2; MgO exerts its maximum effect on sintering at lower temperatures. Copyright (1998) Australasian Ceramic Society

DEFF Research Database (Denmark)

The syntheses of N-alkylated deoxynojirimycin and 1,5-dideoxy-1,5-iminoxylitol derivatives having either a D- or an L-erythritol-3-sulfate functionalized N-substituent are reported. The alkylating agent used was a cyclic sulfate derivative, whereby selective attack of the nitrogen atom at the least hindered primary center afforded the desired ammonium salt. In aqueous solution, these salts were configurationally labile at the ammonium center. Sulfonium and/or selenonium analogues of the ammonium salts were prepared by analogous reactions. The chalcogen salts were obtained as mixtures of diastereomers, separable in some cases, differing only in the stereochemistry at the configurationally stable sulfur or selenium atoms. Proof of configuration and conformation of each compound was obtained by detailed NMR experiments. The compounds are six-membered ring analogues of salacinol, a known sulfonium-salt glucosidase inhibitor. Evaluation of the target compounds for ...

Energy Technology Data Exchange (ETDEWEB)

The structural change of the (100-x)(0.6Li{sub 2}S{center_dot}0.4SiS{sub 2})centre dotxLi{sub 3}PO{sub 4} oxysulfide glassesduring crystallization was analyzed by means of solid-state nuclear magnetic resonance (NMR) and X-ray photoelectron spectroscopy (XPS). The unique tetrahedral units of SiO{sub n}S{sub 4-n} (n=1,2,3) and PO{sub n}S{sub 4-n} (n=1,2,3) present in the glass samples vanished and the SiS{sub 4}, PS{sub 4}, SiO{sub 4} units increased with proceeding of the crystallization process. Nonbridging sulfur and oxygen atoms decreased while bridging oxygens and S{sup 2-} increased with proceeding of the crystallization process. Large structural difference between the glass and the corresponding crystallized sample explained the high stability against crystallization found in the oxysulfide glass with the composition of X=5. (author)

Science.gov (United States)

1,2,3-Trisilacyclopenta-1,4-diene 2, featuring three skeletal Si atoms in the five-membered ring, was synthesized by the thermolysis of the 1,2,3-trisilabicyclo[1.1.0]butane derivative 1 at 130 degrees C in the presence of hex-3-yne. Possessing the properties of nonconjugated cyclopentadiene, 2 readily underwent reduction with KC(8), which was followed by treatment with LiBr to form the lithium salt of 1,2,3-trisilacyclopentadienide 3(-)*[Li(+)(thf)], from which the ketone-coordinated derivative 3(-)*[Li(+)(O=C(t)Bu(2))] was prepared. Both 3(-)*[Li(+)(L)] (L = thf, O=C(t)Bu(2)) are classified as novel 6pi-electron aromatic systems based on their characteristic X-ray crystal and NMR spectral data. Addition of 12-crown-4 to 3(-)*[Li(+)(thf)] resulted in the unexpected formation of 4(-)*[Li(+)(12-crown-4)(2)], featuring the unprecedented cyclic disilenide ion 4(-). PMID:19378994

International Nuclear Information System (INIS)

Lithium isotopes are used as the raw material of tritium which is the fuel for fusion power generation and the material for fusion reactors, accordingly those are indispensable for future nuclear fusion power generation. As for boron isotopes, the neutron absorption corss section is very large, therefore, they are used for shielding neutrons and controlling fast neutron reactors. In order to further develop the utilization of nuclear power, it is important to develop the technology for separating and refining light element isotopes in large amount. In fiscal year 1995, the relation of the ion sieve characteristics of inorganic ion exchanger and the behavior of lithium isotope separation was examined. The behavior of forming boron complex of polyol amine was examined by B-11 NMR. These experiments and the results are reported. It was shown to be feasible that lithium is adsorbed from seawater, and isotopes are concentrated. Titanium phosphate and its heat treated ...

Energy Technology Data Exchange (ETDEWEB)

A series of 2-alkylthiopyrine-4-carbothioamides were synthesized, and their anti-fungal potency was tested. The chemical structures were proved by infrared spectroscopy (IR) and {sup 1}H nuclear magnetic resonance ({sup 1}H-NMR) data and by elemental analysis. The minimal inhibitory concentration (MIC) and minimal fungicidal concentration (MFC) assessment were used for the estimation of potential activity in vitro. The study comprising 21 clinical isolates of fungi showed that two compounds exhibited fair inhibitory activity against some yeasts and dermatophytes. Selective fungistatic activity against non-dermatophytes (MIC = 3.12-25.0 {mu}g/mL) was found also in another compound. None of the above compounds showed inhibitory activity against non-dermatophyte filamentous fungi. Microbiological activity of 2-alkylthiopyridine-4-carbothioamides appears to be mainly related to hydrophobicity of alkyl in position 2. (authors). 10 refs., 8 tabs.

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)

Energy Technology Data Exchange (ETDEWEB)

Accomplishments for the quarter are presented for the following areas of research: oil shale, tar sand, coal, advanced exploratory process technology, and jointly sponsored research. Oil shale research includes; oil shale process studies, environmental base studies for oil shale, and miscellaneous basic concept studies. Tar sand research covers process development. Coal research includes; underground coal gasification, coal combustion, integrated coal processing concepts, and solid waste management. Advanced exploratory process technology includes; advanced process concepts, advanced mitigation concepts, and oil and gas technology. Jointly sponsored research includes: organic and inorganic hazardous waste stabilization; development and validation of a standard test method for sequential batch extraction fluid; operation and evaluation of the CO[sub 2] HUFF-N-PUFF Process; fly ash binder for unsurfaced road aggregates; solid state NMR analysis of Mesa Verde Group, ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

A discussion of how stress and strain affect the quantities which can be measured in an NQR experiment shows that, for stresses of the magnitude to be expected at depths up to about 10,000 feet, quadrupole coupling constants will fall in the range of 1 to 10 kHz for both the sodium and chloride ions in NaCl. The most promising system involves pulsed nuclear double resonance detection; and alterative is to observe the quadrupolar splitting of the NMR signal. Choices to be made in the measurement and mapping techniques are discussed. The well-known perturbation of the homogenous stress field in the neighborhood of a borehole is shown to be advantageous from the point of view of obtaining directional information on the stress. Construction and operation of a borehole stress sensor are considered. The NQR technique seems feasible for measuring the magnitude and direction of underground stress with a resolution of about 25 psi, or 2.5% at 1000 psi. Downhole ...

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.

British Library Electronic Table of Contents (United Kingdom)

Abstract Four new dimeric naphtho--pyrones, named rubasperone D (1), rubasperone E (2), rubasperone F (3), and its atropisomer rubasperone G (4), together with four known monomeric naphtho--pyrones, TMC 256 A1 (5), rubrofusarin B (6), fonsecin (7), and flavasperone (8), were isolated from the mangrove endophytic fungus Aspergillus tubingensis (GX1-5E) cultivated in solid rice medium. Their structures were elucidated by spectroscopic methods, including IR, 1D- and 2D-NMR, and MS. In the in vitro cytotoxicity assays, 5 displayed inhibitory activities against tumor cell lines of MCF-7, MDA-MB-435, Hep3B, Huh7, SNB19, and U87-MG with IC50 values between 19.92 and 47.98-M. Compounds 1, 6, and 8 also showed mild cytotoxic activity.

Energy Technology Data Exchange (ETDEWEB)

This paper presents a series of structural modifications of soybean oils for lubricant. The reaction was monitored and products were confirmed by NMR and FTIR. The structural modification is carried out in four stages, (1) synthesis of soybean oil isooctyl ester from soybean oil; (2) synthesis of epoxy-soybean oil isooctyl ester from soybean oil isooctyl ester; (3) synthesis of hydroxylated products from epoxy soybean oil isooctyl ester with fatty acid; (4) esterification of the hydroxylated product with anhydride. Rheological behaviour of the products was measured. Pour points of the products (3) were observed as low as -24 C (lauric acid) and -15 C (isooctanoic acid) respectively. When the hydroxyl groups in the products were esterified with and acid anhydride, the pour points were became higher, which were -21 C (lauric acid) and -6 C (isooctanoic acid) without pour point depressant, and -27 C (lauric acid) and -24 C (isooctanoic acid) with 1% of pour point ...

Energy Technology Data Exchange (ETDEWEB)

This richly illustrated toolbook and atlas contains information on all aspects of nmr diagnostic imaging of benign or malignant neoplasms of female and male mammary glands. It offers pinpointed guidance and insight for vocational training and continuing training of radiology assistants, students and medical radiologists. (orig./AJ) [German] Die MRT als hochaufloesendes und schaedigungsfreies Diagnostikum gewinnt gerade in der emotional stark besetzten Mammadiagnostik zunehmend an Bedeutung. Dennoch beherrschen nur wenige Zentren im deutschsprachigen Raum diese Technik, die - eine hohe Reproduzierbarkeit bei fehlender Belastung fuer die Patientin bietet, - invasive Karzinome bereits ab einer Groesse von 5 mm mit hoher Zuverlaessigkeit ausschliessen kann und - gerade bei widerspruechlichen Befunden zwischen klinischer Untersuchung, Roentgenmammographie und perkutaner Biopsie eine wesentliche Entscheidungshilfe bieten kann. Aus einem der fuehrenden Zentren in der ...

British Library Electronic Table of Contents (United Kingdom)

A new cis-dioxomolybdenum complex MoO2(DMLA)2 (DMLA=N,N-dimethyllactamide) has been synthesized and characterized by X-ray crystallography, H NMR and IR spectroscopies and electronic structure calculations at DFT/B3LYP level. This compound (chemical formula C10H20MoO6N2) crystallizes in the orthorhombic space group P212121 with Z=4, a=6.9357(2)?, b=11.8761(4)?, c=17.7251(5), V=1460.00(8)?3 and renders a slightly distorted octahedral structure with two long Mo-O bonds (2.253(3)? and 2.257(3)?) trans to each of the MoO groups and with two short Mo-O bonds of 1.942(3)4? cis to them. The MoO bond length are 1.715(3) and 1.704(3)?). Each lactamide ligand is bidentate; they are coordinated in their deprotonated form with the carbonyl oxygen occupy...

Energy Technology Data Exchange (ETDEWEB)

Bis(diphenylphosphino)phenylamine can be selectivity oxidized by S or Se in toluene or hexane solvents to the monooxidized thioyl or selenoyl products Ph[sub 2]PN(PH)PPh[sub 2]=E, (E = S, Se). These compounds act as bidentate chelate ligands toward metal complexes forming (CO)[sub 4]M(LL) (M = Mo, W), CO(Cl)Rh(LL), and Cl[sub 2]M(LL), (M = Pt, Pd) where (LL) is the thioyl or selenoyl derivative of the aminobis(phosphine). IR and NMR data are given for all complexes. The carbonyl infrared stretching frequencies show that the chelates form with the phosphine cis to any CO which is present. The [sup 31]P NMR of all complexes of two doublets except for the Rh complexes wherein the Rh spin also couples to phosphorous to produce two doublets of doublets. The [sup 2]J[sub PP] values range from 56 to 112 Hz. [sup 1]J[sub PSe] coupling provide valuable assistance for the assignment of the phosphorus resonances which range widely from 55 to 126 ppm for ...

International Nuclear Information System (INIS)

Beach rocks are observed frequently on the tropical and subtropical sandy beaches where they express thin beds dipping seaward at less than 15 degrees. They consist of beach sediments including fossil shells, fragments of corals, diatoms and other biocarbonates, and are well cemented within the inter-tidal zone with calcium carbonate originated in sea water. Therefore, they are not only good indicators which show the past sea level, but also provide good sample material for radiocarbon dating. The locations of beach rocks give us an optimum condition studying a carbon cycle between land and marine environment by analyzing their isotope fractionations. In order to estimate the origin of calcium carbonate which worked as an adhesive when beach rocks were formed and to estimate the formative ages of beach rocks, a total of 330 fossil corals, fossil shells and calcarenite or calcirdite samples were collected from 128 sites of 16 islands consisting of the Nansei Islands, southwest of Japan. ...

International Nuclear Information System (INIS)

Chorismate mutase, a branch-point enzyme in the aromatic amino acid pathway of Saccharomyces cerevisiae, and also a mutant chorismate mutase with a single amino acid substitution in the C-terminal part of the protein have been purified approximately 20-fold and 64-fold from overproducing strains, respectively. The wild-type enzyme is activated by tryptophan and subject to feedback inhibition by tyrosine, whereas the mutant enzyme does not respond to activation by tryptophan nor inhibition by tyrosine. Both enzymes are dimers consisting of two identical subunits of M_r 30,000, each one capable of binding one substrate and one activator molecule. Each subunit of the wild-type enzyme also binds one inhibitor molecule, whereas the mutant enzyme lost this ability. The enzyme reaction was observed by "1H NMR and shows a direct and irreversible conversion of chorismate to prephenate without the accumulation of any enzyme-free intermediates. The kinetic data of the ...

International Nuclear Information System (INIS)

By observing the diffusion of a heat pulse along a 10-cm column of normal liquid "3He with the aid of two vibrating wire thermometers, it has been possible to measure the heat capacity C and thermal conductivity K of the liquid in the temperature range from T /sub c/ to 10 mK and at pressures of 0.21, 4.39, 9.97, 20.01, and 29.32 bar. By using a Pt NMR thermometer, an LCMN thermometer, and a "3He melting curve thermometer calibrated using the melting curve given by Greywall in 1983, a temperature scale has been established and (1) it has been shown that this melting curve is consistent in the temperature range 5-22 mK with the Korringa law for the Pt thermometer with a Korringa constant of 29.8 +/- 0.2 sec mK, (2) departures have been observed from the Curie-Weiss law for LCMN at low temperatures, and (3) values of the superfluid transition temperature have been obtained that are about 4% lower than the Helsinki values. The measured heat capacities agree well with ...

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 ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

The organization of organic semiconductor molecules in the active layer of organic electronic devices has important consequences to overall device performance. This is due to the fact that molecular organization directly affects charge carrier mobility of the material. Organic field-effect transistor (OFET) performance is driven by high charge carrier mobility while bulk heterojunction (BHJ) solar cells require balanced hole and electron transport. By investigating the properties and device performance of three structural variations of the fluorenyl hexa-peri-hexabenzocoronene (FHBC) material, the importance of molecular organization to device performance was highlighted. It is clear from {sup 1}H NMR and 2D wide-angle X-ray scattering (2D WAXS) experiments that the sterically demanding 9,9-dioctylfluorene groups are preventing {pi}-{pi} intermolecular contact in the hexakis-substituted FHBC 4. For bis-substituted FHBC compounds 5 and 6, {pi}-{pi} intermolecular ...

Energy Technology Data Exchange (ETDEWEB)

(-)-N6-(R-4-Hydroxyphenylisopropyl)adenosine (HPIA) was iodinated with NaI and trace /sup 125/I. Mono- and diiodinated reaction products and the starting material were separated by high pressure liquid chromatography and the structures of the reaction products were verified by NMR. (-)-N6-(R-Phenylisopropyl)adenosine (PIA), IHPIA, and I2HPIA decreased rat atrial contractility with ED50 values of 24, 28, and 33 nM, respectively. The contractile effects of these compounds were competitively blocked by theophylline (KI . 7.9 microM), but were not affected by adenosine deaminase. IHPIA also inhibited (-)isoproterenol-stimulated cyclic AMP accumulation in adipocytes with an ED50 (10 nM) and to an extent (83%) nearly identical to PIA. (/sup 125/I)HPIA prepared using carrier-free /sup 125/I bound to adenosine receptors on membranes from rat cerebral cortex, adipocyte ghosts, and heart ventricles. Binding was inhibited stereospecifically by PIA and by other adenosine ...

International Nuclear Information System (INIS)

Methanosarcina thermophila, a nonmarine methanogenic archaebacterium, can grow in a range of saline concentrations. At less than 0.4 M NaCl, Ms. thermophila accumulated glutamate in response to increasing osmotic stress. At greater than 0.4 M NaCl, this organism synthesized a modified #beta#-amino acid that was identified as N"v"a"r"-"e"p"s"i"l"o"n-acetyl-#beta#-lysine by NMR spectroscopy and ion-exchange HPLC. This #beta#-amino acid derivative accumulated to high intracellular concentrations (up to 0.6 M) in Ms. thermophila and in another methanogen examined - Methanogenium cariaci, a marine species. The compound has features that are characteristic of a compatible solute: it is neutrally charged at physiological pH and it is highly soluble. When the cells were grown in the presence of exogenous glycine betaine, a physiological pH and it is highly soluble. When the cells were grown in the presence of exogenous glycine betaine, a physiological compatible solute, ...

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 MgAl_2O_4 correspond to an order-disorder ...

Science.gov (United States)

We describe the synthesis of metal-chelating polymers (MCPs) with four different pendant polyaminocarboxylate ligands (EDTA, DTPA, TTHA, DOTA) and an orthogonal end-group, either a fluorescein molecule or a bismaleimide linker for antibody attachment. Polymer characterization by a combination of (1)H NMR, UV/vis absorption measurements, and thermal gravimetric analysis (TGA) indicated that each chain of the fluorescein-terminated polymers contained one dye molecule. These polymer samples were loaded with three different types of lanthanide ions as well as palladium and platinum ions. The numbers of metal atoms per chain were determined by a combination of UV/vis and conventional ICP-MS measurements. The experiments with lanthanide ions demonstrated that a net anionic charge on the polymer is important for water solubility. These experiments also showed that at least one type of lanthanide ion (La(3+)) is capable of forming a bimetallic complex with pendant DTPA ...

Energy Technology Data Exchange (ETDEWEB)

The characterization of monoammine(nitroimidazole)platinum(II) complexes of structure (PtCl{sub 2}(NH{sub 3})(NO{sub 2}Im)) (NO{sub 2}Im = 1-((((2-hydroxyethyl)amino)carbonyl)methyl)-2-nitroimidazole, Etanidazole (I), 1-(2-nitro-1-imidazolyl)-3-methoxy2-propanol, Misonidazole (II), and 1-(2-hydroxyethyl)-2-methyl-5-nitroimidazole, Metronidazole (III)) is reported. Both is cis and trans isomers may be isolated for II and III. The crystal structure of cis-amminedichloro(1-((((2-hydroxyethyl)amino)carbonyl)methyl)-2-nitroimidazole)platinum(II) has been determined by X-ray diffraction. The crystals are orthorhombic, space group Pnab with cell dimensions a = 14.867 (7) {angstrom}, b = 9.915 (5) {angstrom}, c = 19.015 (9) {angstrom}, and Z = 8. The structure was refined to R = 0.062 and R{sub w} = 0.052. Platinum has the expected square-planar coordination. The Pt-Cl bond trans to the nitroimidazole ligand is shorter (2.269 (3) {angstrom}) than normal. The dihedral angle between the platinum ...

Energy Technology Data Exchange (ETDEWEB)

This paper presents thermodynamic and kinetic data collected for aqueous blends of piperazine (PZ), an ethylamine, and potassium carbonate (K{sub 2}CO{sub 3}). Mixtures of K{sup +} and PZ have been investigated in a wetted-wall column at 40 to 80{sup o}C, typical conditions for an industrial absorber. The addition of 0.6 m PZ to 20 wt% (3.6 m) K{sub 2}CO{sub 3} increases the rate of CO{sub 2} absorption by a factor of ten from the value in unpromoted solutions at 60{sup o}C. The addition of PZ increases the heat of absorption from 4 kcal/mol in 3.6 m K{sup +} to 10 kcal/mol when 0.6 m PZ is added. The capacity, ranging from 0.4 to 0.7 mol-CO{sub 2}/kg-H{sub 2}O, approaches that of monoethanolamine (MEA) solutions and seems to be a strong function of K{sup +} concentration. Speciation of the solution was obtained using proton nuclear magnetic reasonance (NMR), verifying and quantifying the presence of three PZ species. An equilibrium model and a rate model were ...

International Nuclear Information System (INIS)

High-resolution "1H and "3"1P nuclear magnetic resonance spectroscopy has been used to investigate the binding of 2,3-diphosphoglycerate to human normal adult hemoglobin and the molecular interactions involved in the allosteric effect of the 2,3-diphosphoglycerate molecule on hemoglobin. Individual hydrogen ion NMR titration curves have been obtained for 22-26 histidyl residues of hemoglobin and for each phosphate group of 2,3-diphosphoglycerate with hemoglobin in both the deoxy and carbonmonoxy forms. The results indicate that 2,3-diphosphoglycerate binds to deoxyhemoglobin at the central cavity between the two #beta# chains and the binding involves the #beta#2-histidyl residues. Moreover, the results suggest that the binding site of 2,3-diphosphoglycerate to carbonmonoxyhemoglobin contains the same (or at least some of the same) amino acid residues responsible for binding in the deoxy form. As a result of the specific interactions with 2,3-diphosphoglycerate, the ...

Energy Technology Data Exchange (ETDEWEB)

Addition of the silane PPh[sub 2]CH[sub 2]CH[sub 2]SiMe[sub 2]H (chelH, 1a) to Pt(COD)[sub 2] (COD = cycloocta-1,5-diene) affords in high yield the cis-bis chelate Pt(chel)[sub 2] (2); formation of the same product from Pt(COD)(X)Y (X = Y = Me; X = Me, Y = Cl) has been shown by NMR spectroscopy ([sup 1]H, [sup 31]P, [sup 195]Pt) to proceed via prior coordination of chelH through P to afford Pt(chelH)[sub 2](X)(Y) (cis and trans isomers) and through intermediacy of PtH(chel)[sub 2]Cl (22) in which P trans to Si at Pt(IV) leads to an exceptionally low [sup 2]J(Pt-P) = 1084 Hz. Cleavage of Pt-Si bonds in 2 by HCl can be controlled to give the monochelate species Pt(chel)(chelH)Cl (7), from which chelH is displaced by PMe[sub 2]Ph, or trans-PtH(PPh[sub 2]CH[sub 2]SiMe[sub 2]Cl)[sub 2]Cl (9). Products related to 9 result from Pt-Si bond cleavage by I[sub 2] or MeI. Using the analogue PPh[sub 2]CH[sub 2]CH[sub 2]SiMe(Ph)H (1c) of 1a, the analogue Pt-[PPh[sub 2]CH[sub ...