Energy Technology Data Exchange (ETDEWEB)

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

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.

British Library Electronic Table of Contents (United Kingdom)

The structure of the O-antigen polysaccharide (PS) from Escherichia coli O177 has been determined. Component analysis together with 1H and 13C NMR spectroscopy experiments was used to determine the structure. Inter-residue correlations were determined by 1H,13C-heteronuclear multiple-bond correlation and 1H,1H-NOESY experiments. PS is composed of tetrasaccharide repeating units with the following structure: 2)-a-l-Rhap-(13)-a-l-FucpNAc-(13)-a-l-FucpNAc-(13)-b-d-GlcpNAc-(1 An a-l-Rhap residue is suggested to be present at the terminal part of the polysaccharide, which on average is composed of 20 repeating units, since the 1H and 13C chemical shifts of an a-linked rhamnopyranosyl group could be assigned by a combination of 2D NMR spectra. Consequently, the biological repeating unit has a 3-...

Energy Technology Data Exchange (ETDEWEB)

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Energy Technology Data Exchange (ETDEWEB)

The research has involved the characterization of catalyst acidity, [sup 2]D NMR studies of Bronsted acid sites, and kinetic, calorimetric, and spectroscopic studies of methylamine synthesis and related reactions over acid catalysts. Approach of this work was to explore quantitative correlations between factors that control the generation, type, strength, and catalytic properties of acid sites on zeolite catalysts. Microcalorimetry, thermogravimetric analysis, IR spectroscopy, and NMR spectroscopy have provided information about the nature and strength of acid sites in zeolites. This was vital in understanding the catalytic cycles involved in methylamine synthesis and related reactions over zeolite catalysts.

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.

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 ...

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.

Energy Technology Data Exchange (ETDEWEB)

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International Nuclear Information System (INIS)

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

CERN Document Server

We have measured $p_t$-dependent two-particle number correlations on azimuth and pseudorapidity for eleven centralities of $\\sqrt{s_{NN}} = 62$ and 200~GeV Au-Au collisions at STAR. 2D fits to these angular correlations isolate the azimuth quadrupole amplitude, denoted $2 v_2^2 \\{ 2D \\} ( p_t )$, from localized same-side correlations. Event-plane $v_2 ( p_t )$ measurements within the STAR TPC acceptance can be expressed as a sum of the azimuth quadrupole and the quadrupole component of the same-side peak. $v_2 \\{ 2D \\} ( p_t )$ can be transformed to reveal quadrupole $p_t$ spectra which are approximately described by a fixed transverse boost and universal L\\'evy form nearly independent of centrality. A parametrization of $v_2 \\{ 2D \\} ( p_t )$ can be factored into centrality and ...

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

Energy Technology Data Exchange (ETDEWEB)

It is the intention of this paper to point to some of the problems due to molecular motion and to suggest a few solutions to those problems. A few examples will be presented of model systems which demonstrate the effects of motion on the NMR spectroscopy and a very qualitative example of severe spectral distortion in fulvic acids will be shown. In the following discussions we will use concepts derived from the oft repeated thermodynamic picture shown in figure 1. When dealing with a homogeneous, pure compound this picture is sufficient but in a heterogeneous mixture, it is likely that there will be different compounds and different domains all with slightly different versions of figure 1 with poor thermodynamic contact between them. Thus optimal conditions for cross polarization in one domain may be totally inappropriate for another. 59 refs., 10 figs.

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...

British Library Electronic Table of Contents (United Kingdom)

Two ent-rosane- (cuzcol, 1 and 6-dehydroxycuzcol, 2) and a abietatriene- (salvadoriol, 3) type diterpenoids have been isolated from Maytenus cuzcoina and Crossopetalum uragoga, respectively, along with five known diterpene compounds (4-8). Their stereostructures have been elucidated on the basis of spectroscopic analysis, including 1D and 2D NMR techniques, and computational data. The absolute configuration of cuzcol was determined by application of Riguera ester procedure. This is the first instance of isolation of ent-rosane diterpenoids from species of the Celastraceae. The isolated diterpenes were found to be potent anti-tumour-promoter agents, and carnosol (7) also showed a remarkable chemopreventive effect in an in vivo two-stage carcinogenesis model.

British Library Electronic Table of Contents (United Kingdom)

Eremostachys laciniata (L) Bunge (family: Lamiaceae alt. Labiatae; subfamily: Lamioideae) is one of the 15 endemic Iranian herbs of the genus Eremostachys. A decoction of the roots and flowers of E. laciniata has traditionally been taken orally for the treatment of allergies, headache and liver diseases. Three antibacterial iridoid glucosides, phloyoside I (1), phlomiol (2) and pulchelloside I (3) have been isolated from the rhizomes of this plant. The structures of these compounds were elucidated unequivocally by a series of 1D and 2D NMR analyses. The antibacterial activity and brine shrimp toxicity of these compounds were assessed using the resazurin microtitre assay and the brine shrimp lethality assay, respectively. All three iridoid glycosides 1-3 exhibited from low to moderate level...

International Nuclear Information System (INIS)

Using the linearized augmented-plane-wave (LAPW) -calculated electron and positron charge densities for YBa_2Cu_3O_7, the Brillouin-zone-reduced electron-positron momentum density is computed and the zone-reduced two-dimensional angular correlation of annihilation radiation (2D ACAR) spectrum is produced. The calculations show that the relative weights of the Fermi-surface discontinuities are substantially altered due to the positron preferentially sampling the Cu-O chain region. In addition, the reduced 2D ACAR spectrum contains large k-dependent wave-function effects. The theoretical zone-reduced 2D ACAR spectrum is compared to the several existing experimental spectra. It is concluded that, at present, positron-annihilation experiments do not provide consistent and clear evidence for the existence and shapes of Fermi surfaces in ...

Energy Technology Data Exchange (ETDEWEB)

The first preparation and characterization of the platinum (II) complexes containing five phosphorus ligands are reported herein. The complexes are represented by the formulae (Pt(PP/sub 3/)(P(OR)/sub 3/)Cl/sub 2/, where R = Me or Et, and (Pt(PP/sub 3/)(PEt/sub 3/))Cl/sub 2/. The /sup 31/P spectra of the complexes are presented. 10 references, 2 tables.

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 ...

Energy Technology Data Exchange (ETDEWEB)

Aqueous solutions of 2-amino-2-hydroxymethyl-1,3-propanediol (AHPD), a sterically hindered amine, was examined as a potential CO{sub 2} absorbent and compared with the most commonly used absorbent, monoethanolamine (MEA) solution, through equilibrium solubility measurements and {sup 13}C NMR spectroscopic analyses. The solubilities of CO{sub 2} in aqueous 10 mass % AHPD solutions were higher than those in aqueous 10 mass% MEA solutions above 4 kPa at 298.15 K, but lower below 4 kPa. The solubility difference between these two solutions increased with the CO{sub 2} partial pressures above the crossover pressure. Equilibrated CO{sub 2}-MEA-H{sub 2}O and CO{sub 2}-AHPD-H{sub 2} solutions at various CO{sub 2} partial pressures ranging from 0.01 to 3000 kPa were analyzed by {sup 13}C NMR spectroscopy. AHPD contains more hydroxyl groups than nonhindered MEA, and hence the chemical shifts in its {sup 13}C NMR ...

International Nuclear Information System (INIS)

Polypeptides, copolymers of #alpha#-amino acids and #alpha#-hydroxy acids, could prove to be a valuable new class of synthetic biodegradable polymers. In this paper. steps in synthesis of poly (dl-lactide-co-3, 6-dimethylmorpholine-2,5-dione) from dl-lactide and dl-3,6-dimethylmorpholine-2,5-dione was explained. dl-Lactide was synthesized from lactic acid. In the reaction of 2-bromopropionyl chloride and dl-alanine, N-(2-bromopropionyl)-dl-alanine was prepared and this material was converted to its salt and finally this salt was converted to 3,6-dimethylmorpholine-2,5-dione in a sublime r. These two monomers, that is d l-lactide and dl-3,6-dimethylmorpholine-2,5-dione was polymerized by ring-opening polymerization. F T-IR, "1H NMR, "1"3C NMR Spectra were used for structure elucidation of all intermediate compounds and final product.

Energy Technology Data Exchange (ETDEWEB)

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 ...

International Nuclear Information System (INIS)

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

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)

Short communication.

Energy Technology Data Exchange (ETDEWEB)

The adhesion of microorganisms onto materials surface mediated by extracellular polymeric substances (EPS) lead to an important modification of the metal-solution interface. The requirement of modern civilization with the heightened sense of environmental responsibilities and quality of life can be met by using some eco-friendly microbiocides with different spectra of activity. Some N{sub 2}O{sub 2} donor Schiff base compounds were synthesized and characterized by IR, NMR and ESR spectroscopy. These compounds were found effective in controlling the growth of biofilm of E. coli, Pseudomonas fluorescens and Thiobacillus thiooxidans on copper surface. The optimum concentration of these compounds are in the range of 1--10 ppm. Various electrochemical, microbiological and surface-analytical techniques were used to monitor the biofilm in the presence of microbiocides.

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 ...

International Nuclear Information System (INIS)

The oxygen vacancies distribution in the rigid lattice and the thermally activated motion of oxygen atoms are studied in La1-xSrxGa1-xMgxO3-x (x=0.00; 0.05; 0.10; 0.15 and 0.20) compounds. For that 71Ga, 25Mg and 17O NMR was performed from 100 K up to 670 K, and ion conductivity measurements were carried out up to 1273 K. The comparison of the electric field gradients at the Ga- and Mg-sites evidences that oxygen vacancies appear exclusively near gallium cations as a species trapped below room temperature in local clusters, GaO5/2-#square#-GaO5/2. These clusters decay at higher temperature into mobile constituents of the structural octahedra Ga(O5/6#square#1/6)6/2. At the same time, the nearest octahedral oxygen environment of magnesium cations persists at different doping levels. The case of two adjacent vacant anion sites is found highly unlikely within the studied doping range. The thermally activated oxygen motion starts to develop above room temperature as is ...

Science.gov (United States)

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

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)

Absorption and emission measurements at liquid-helium temperature, liquid-nitrogen temperature and room temperature have been performed on tetragonal scheelite-type rare earth sodium double molybdates Na[sub 5]RE(MoO[sub 4])[sub 4] and on RE-doped Na[sub 5]Gd(MoO[sub 4])[sub 4] samples. The rare earth occupies one single crystallographic position with S[sub 4] as point symmetry. The spectra were analysed according to the crystal field theory. From the experimental data, nearly complete energy level schemes of the Pr[sup 3+] and Nd[sup 3+], on the 4f [sup 2] and 4f [sup 3] configurations were derived. Very good correlation was obtained between the experimental and simulated energy level schemes, first for the approximated D[sub 2d] and then for the true S[sub 4] symmetries. The crystal field parameters vary smoothly with the atomic number of the rare earth, when compared with those determined previously for Eu[sup 3+] in the ...

International Nuclear Information System (INIS)

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

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...

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

Short communication.

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

KoreaScience (Korea)

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Science.gov (United States)

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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 ...

UK PubMed Central (United Kingdom)

BackgroundRecessive mutations in guanylate cyclase-1 (Gucy2d) are associated with severe, early onset Leber congenital amaurosis-1(LCA1). Gucy2d...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundIn current comparative proteomics studies, the large number of images generated by 2D gels is currently compared using spot matching algorithms. Unfortunately, differences...Full Text Available

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)

A multi-technique approach was employed to study a decorated Egyptian wooden sarcophagus (XXV?XXVI dynasty, Third Intermediate Period), belonging to the Museo del Vicino Oriente of the Sapienza University of Rome. Portable non-invasive unilateral NMR was applied to evaluate the conservation state of the sarcophagus. Moreover, using unilateral NMR, a non-invasive analytical protocol was established to detect the presence of organic substances on the surface and/or embedded in the wooden matrix. This protocol allowed for an educated sampling campaign aimed at further investigating the state of degradation of the wood and the presence of organic substances by 13C cross polarization magic angle spinning (CPMAS) NMR spectroscopy. The composition of the painted layer was analysed by optical micr...

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...

International Nuclear Information System (INIS)

The aim of this paper was to describe ability to intercalation of laboratory prepared carbon composites and their constituents. In work the following materials were tested; pinch-based fibres of P-120 and K-1100 manufacturer's designations, carbon matrix and resulting composites. To prepare a matrix of composites, phenol-formaldehyde resin (Z) and pinch-based precursor (PAK) were used. After initial carbonization, the carbon matrix was heated to 2150 "oC i to improve ability to the future intercalation. Three kinds of composites (P/Z, K/Z and K/PAK), with two directional reinforcement (2D), were prepared. All carbon samples were intercalated with copper chloride(II). To study the structure of all materials, before and after intercalation, X-ray diffraction method was used. It enabled to measure microstructure parameters (L_c and L_a), interplanar distance (d_0_0_2) thickness of an intercalation layer (d_i). Before intercalation, graphite fibers ...

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, ...

CERN Document Server

We present deep images of dust continuum emission at 450, 800, and 850 micron of the dark cloud LDN 1689N which harbors the low-mass young stellar objects (YSOs) IRAS 16293-2422A and B (I16293A and I16293B) and the cold prestellar object I16293E. Toward the positions of I16293A and E we also obtained spectra of CO-isotopomers and deep submillimeter observations of chemically related molecules with high critical densities. To I16293A we report the detection of the HDO 1_01 - 0_00 and H2O 1_10 - 1_01 ground-state transitions as broad self-reversed emission profiles with narrow absorption, and a tentative detection of H2D+ 1_10 - 1_11. To I16293E we detect weak emission of subthermally excited HDO 1_01 - 0_00. Based on this set of submillimeter continuum and line data we model the envelopes around I16293A and E. The density and velocity structure of I16293A is fit by an inside-out collapse model, yielding a sound speed of ...

Energy Technology Data Exchange (ETDEWEB)

Amino acids other than those that serve as ligands have been found to influence the chemical properties of transferrin iron. The catalytic ability of pyrophosphate to mediate transferrin iron release to a terminal acceptor is largely quenched by modification non-liganded histine groups on the protein. The first order rate constants of iron release for several partially histidine modified protein samples were measured. A statistical method was employed to establish that one non-liganded histidine per metal binding domain was responsible for the reduction in rate constant. These results imply that the iron mediated chelator, pyrophosphate, binds directly to a histidine residue on the protein during the iron release process. EPR spectroscopic results are consistent with this interpretation. Kinetic and amino acid sequence studies of ovotransferrin and lactoferrin, in addition to human serum transferrin, have allowed the tentative assignment of His-207 in the N-terminal domain and His-535 ...

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

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Evaluation and interpretation of CT colonography is based on both 2D and 3D techniques. The 2D techniques are popular mainly because the time needed for evaluation is short. The 3D techniques allow better definition than the 2D techniques, especially of polyps close to folds or at the base of a fold. The evaluation strategies generally accepted so far (primarily 2D, with 3D for problem cases, or vice versa) demand knowledge of both 2D and 3D techniques. Newer 3D visualization techniques help make it possible to acquire more complete and faster recording particularly of areas that are not easily accessible to endoscopic examination. These user-friendly developments are thus well suited to improving the detection and the security of detection of polyps. It must be remembered that ...

CERN Document Server

Motivated by the numerical investigations of Laval, Dubrulle & Nazarenko (1999), we develop a quasilinear theory of the 2D Euler equation and derive an integro-differential equation for the evolution of the coarse-grained vorticity. This equation respects all the invariance properties of the Euler equation and conserves angular momentum in a circular domain and linear impulse in a channel (as well as in an infinite domain). The explicit energy is not rigorously conserved as it is partly transfered into fine-grained fluctuations but the total energy is conserved. We prove a H-theorem for the Fermi-Dirac entropy and make the connection with statistical theories of 2D turbulence.

British Library Electronic Table of Contents (United Kingdom)

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

Science.gov (United States)

For coupled quantum wires and dots, tunneling effects and coherent transport for quantum computing are being studied. In 2D systems, electron-hole bilayers for exciton...

UK PubMed Central (United Kingdom)

The processes of neuronal outgrowth and guidance have typically been studied in classic 2D cell culture systems that do not recapitulate topographical cues present in the in vivo extracellular matrix...Full Text Available

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No abstract prepared.

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A 2-D model has been proposed to investigate the approximate estimation of the natural convection heat loss from modified cavity receiver of without insulation (WOI) and with insulation (WI) at the bottom of the aperture plane in our previous article. In this paper, a 3-D numerical model is presented to investigate the accurate estimation of natural convection heat loss from modified cavity receiver (WOI) of fuzzy focal solar dish concentrator. A comparison of 2-D and 3-D natural convection heat loss from a modified cavity receiver is carried out. A parametric study is carried out to develop separate Nusselt number correlations for 2-D and 3-D geometries of modified cavity receiver for estimation of convective heat loss from the receiver. The results show that the 2-D and 3-D are comparabl...

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No abstract prepared.

Energy Technology Data Exchange (ETDEWEB)

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

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

International Nuclear Information System (INIS)

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

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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-

UK PubMed Central (United Kingdom)

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

UK PubMed Central (United Kingdom)

In this study, bone mineral density (BMD) of normal (CON), ovariectomized (OVX) and partially nephrectomized (NFR) rats was measured by ³¹P NMR spectroscopy; bone matrix density was...Full Text Available

UK PubMed Central (United Kingdom)

Here we report the first ¹H NMR metabolomics studies on excised lungs and bronchoalveolar lavage fluid (BALF) from mice exposed to crystalline silica. High resolution ¹H...Full Text Available

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

International Nuclear Information System (INIS)

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

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A summary of the basic principles of K-matrix theory and examples of its applications to atomic spectra are discussed. (AIP)

British Library Electronic Table of Contents (United Kingdom)

A two-dimensional (2D) lattice model with anisotropic resonant microstructures is found to provide an anisotropic band gap structure. A 2D continuum with anisotropic effective mass density is introduced to represent this lattice system. Two methods are proposed to derive the equivalent continuum. In the first method, the effective mass density of the equivalent continuum is obtained by matching the dispersion relations for harmonic waves propagating in the principal directions. The second approach employs an approximate estimation of the effective mass density by volume-averaging an effective mass that represents the resonant microstructure. For both equivalent continuum models, the effective mass density is frequency-dependent and may become negative in certain frequency ranges. Subsequen...

British Library Electronic Table of Contents (United Kingdom)

Abstract Background: Obstructive sleep apnea (OSA), a highly prevalent condition, is independently associated with increased risks of developing type 2 diabetes mellitus (T2D) and metabolic syndrome. It is unclear, however, if the severity of OSA has any impact on glycemic control among patients with T2D. We therefore aimed to determine the independent association between OSA severity and glycosylated hemoglobin (HbA1c) in patients with T2D. Methods: This was an observational cross-sectional study of 52 consecutive patients attending the diabetes obesity clinic between January 2008 to February 2010 with risk factors for sleep apnea and who underwent polysomnography study. Clinical, demographic, and lifestyle data were recorded using a questionnaire. Results: Prevalence of OSA in this clini...

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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 ...

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

Science.gov (United States)

An inclusion complex between imazalil (IMZ), a selected fungicide, and cyclomaltoheptaose (beta-cyclodextrin, betaCD) was obtained using supercritical fluid carbon dioxide. The best preparation conditions were determined, and the inclusion complex was investigated by means of 1H NMR spectroscopy in aqueous solution and 13C CPMAS NMR spectroscopy in the solid state. Information on the geometry of the betaCD/IMZ complex was obtained from ROESY spectroscopy, while the dynamics of the inclusion complex in the kilohertz range was obtained from the proton spin-lattice relaxation times in the rotating frame, T(1rho) (1H). PMID:14553984

International Nuclear Information System (INIS)

... 3 reactions mev range 10-100 neutron spectra neutrons nuclear reaction

Science.gov (United States)

... significantly lower limits of detection. The complex fluorescence spectra of these constructs indicated that only a portion ...

UK PubMed Central (United Kingdom)

We propose new method of assessment of histological images for medical diagnostics. 2-D image is preprocessed to form 1-D landscapes or 1-D signature of the image contour and then their complexity is...Full Text Available

International Nuclear Information System (INIS)

The diffusion of ion beam injected self-interstitials (I) and their interaction with impurities in crystalline Si has been investigated and modeled. In particular, the I-substitutional carbon (C) interactions have been studied, using a molecular-beam-epitaxy grown Si_1_-_yC_y layer interposed between the shallow I-source and a deeper B-spike (marker for I-concentration). Substitutional C atoms are shown to trap I's, to be removed from their substitutional sites, and to form stable precipitates into the C-rich region. The I-trapping mechanism was quantitatively studied by a simulation code. The reactions causing trapping and deactivation are described. In addition, the boron markers approach was extended to the two dimensional (2D) diffusion. High resolution scanning capacitance microscopy was used for quantitative measurements of the 2D boron transient enhanced diffusion induced on a boron delta array ...

UK PubMed Central (United Kingdom)

Relatively few studies have been reported that document how proprioception varies across the workspace of the human arm. Here we examined proprioceptive function across a horizontal planar workspace,...Full Text Available

UK PubMed Central (United Kingdom)

Insulin resistance in skeletal muscle is a key phenotype associated with type 2 diabetes (T2D) for which the molecular mediators remain unclear. We therefore conducted an expression analysis of human...Full Text Available

UK PubMed Central (United Kingdom)

Motivation: Cell tracking is an important method to quantitatively analyze time-lapse microscopy data. While numerous methods and tools exist for tracking cells in 2D time-lapse images,...Full Text Available

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In the present work, we describe application of binary pseudo-random gratings (BPRG) and arrays (BPRA) as effective 1D and 2D test surfaces suitable for calibration of different surface profilometers, including a number of interferometric microscopes and scatterometers.

Energy Technology Data Exchange (ETDEWEB)

A 2-D model has been proposed to investigate the approximate estimation of the natural convection heat loss from modified cavity receiver of without insulation (WOI) and with insulation (WI) at the bottom of the aperture plane in our previous article. In this paper, a 3-D numerical model is presented to investigate the accurate estimation of natural convection heat loss from modified cavity receiver (WOI) of fuzzy focal solar dish concentrator. A comparison of 2-D and 3-D natural convection heat loss from a modified cavity receiver is carried out. A parametric study is carried out to develop separate Nusselt number correlations for 2-D and 3-D geometries of modified cavity receiver for estimation of convective heat loss from the receiver. The results show that the 2-D and 3-D are comparable only at higher angle of ...

Science.gov (United States)

... and mean rainfall rates, Rm, in the liquid hydrometeor layers using the .... large latitudinal movement of cirrus cloud cover with the changing seasons. ... We study the statistical distribution of PSCs by particle composition using .... the high resolution Cloud Particle Imager (CPI) and standard PMS 2D-C and ...

Energy Technology Data Exchange (ETDEWEB)

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

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)

The pattern of biodegradation and the chemical changes occurring in the macromolecular fraction of domestic sludge during autothermal thermophilic aerobic digestion (ATAD) was monitored and characterised...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

We investigate the formation of nanostructures in 2D strained alloys on face centered cubic (111) surfaces by means of equilibrium Monte Carlo simulations. In the framework of an off-lattice model, we consider one monolayer of two bulk-immiscible adsorbates A and B with negative and positive misfit relative to the substrate, respectively. Simulations show that the adsorbates partly self-organize into island or stripe-like patterns. We show how these structures depend on the relative misfits, interaction, and concentration of components. The morphology is quite different for phase separation and intermixing regimes.

Science.gov (United States)

A computer model of an electrothermal accelerator has been developed which applies to the plasma generator as well as the gun barrel, and it for the first time allows study of the interdependent physical processes in both components simultaneously. The code comprises a 2D transient description of the plasma arc, a 2D, two-phase interior ballistics module, and a preprocessor delivering the required plasma physical data. Some results on the flow field, pressure and temperature in a typical accelerator are presented, and probable limitations on the performance of such a system are discussed. The code is to be applied to different concepts of electrothermal chemical guns.

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.

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Subsurface and surface coalfires are a serious problem in many coal-producing countries. Combustion can occur within the coal seams (underground or surface), in piles of stored coal, or in spoil dumps at the surface. While consuming a non renewable energy source, coalfires promote several environmental problems. Among all GHGs that are emitted from coalfires, CO2 is the most significant because of its high quantity. In connection to this environmental problem, the core aim of the present research is to develop a hyperspectral remote sensing and radiative transfer based model that is able to estimate CO2 concentration (ppmv) from coalfires. Since 1960s remote sensing is being used as a tool to detect and monitoring coalfires. With time, remote sensing has proven a reliable tool to identify and monitor coalfires. In the present study multi-temporal, multi-sensor and multi-spectral thermal remote sensing data are being used to detect and monitor coalfires. Unlike the earlier studies, the ...

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'' ...

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Laser desorption (LD) and thermal desorption (TD) mass spectra of the metallofullerenes found in arc-produced primary soots have been studied for a large variety of alkaline earth and lanthanide elements. The metallofullerene ratios found in the LD spectra indicate that two distinct groups are observed: Sc, Y, La, Ce, Pr, Nd, Gd, Tb, Ho, Er, and Lu (group A) and Ca, Sr, Sm, Eu, and Yb (group B). The TD spectra of most of these same soots also separate into two groups that contain the same elements as groups A and B. Group A metallofullerenes show strong signals in both LD and TD spectra. Group B metallofullerenes are distinguished by their presence in the LD spectra but absence in the TD spectra. From the general ionic behavior of the elements of these groups, and recent studies of the endohedral oxidation states, we propose that the oxidation states are +3 for ...

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Optical absorptance spectra of A-15 compounds were taken using a calorimetric technique in the range 0.2 eV to 4.0 eV. Thermomodulation spectra were taken on several A-15 sputtered films.

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Delayed-neutron (DN) energy spectra following thermal neutron induced fission of /sup 239/Pu as a function of time after fission have been measured, using the beta-neutron time-of-flight (TOF) spectrometer at the University of Lowell. Thermal/epithermal neutrons were produced on the 5.5-MV Van de Graaff accelerator using the /sup 7/Li(p,n)/sup 7/Be reaction. Time spectra over the neutron energy range of 0.01-4.0 MeV were measured for seven different time intervals after fission, each interval containing varying contributions from the six delayed neutrons groups. The DN energy spectra following induced thermal fission of /sup 239/Pu are compared to those resulting from induced thermal fission of /sup 235/U for each of the seven delay time intervals. Decomposition of the measured spectra into six-group DN spectra was accomplished employing an iterative least-squares method, ...

International Nuclear Information System (INIS)

Short Communication.

International Nuclear Information System (INIS)

... electrophoresis fission products gamma radiation gamma spectra half-life

International Nuclear Information System (INIS)

This report provides a summary of theoretical and experimental studies of actinide spectra in condensed phases. Much of the work was accomplished at Argonne National Laboratory, but references to related investigations by others are included. Spectroscopic studies of the trivlent actinides are emphasized, as is the use of energy level parameters, evaluated from experimental data, to investigate systematic trends in electronic structure and other properties. Some reference is made to correlations with atomic spectra, as well as with spectra of the (II), (IV), and higher valence states. 207 refs., 39 figs., 38 tabs.

International Nuclear Information System (INIS)

Photoluminescence spectra for solutions containing Sm"3"+ isotope ions in heavy and normal water were studied in the wave length #lambda# = 500-700 nm and for absorption spectra and photoluminescence excitation spectra within the range of #lambda# = 260-600 nm. Differences in molar extinction coefficients for "1"4"4Sm"3"+ and "1"5"4Sm"3"+ were established both in the solutions with D_2O and by transition from the solutions with D_2O to the solutions with H_2O. New possible causes of the identified effects are discussed

International Nuclear Information System (INIS)

... coincidence spectrometry decay excited states gamma spectra half-life

International Nuclear Information System (INIS)

... coupling deformed nuclei gold 195 high spin states iridium 187 moment of

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Tunneling spectroscopy of normal-insulator-superconductor junction is investigated theoretically. In anisotropic superconductors, differently from the case of isotropic superconductor, the effective pair potentials felt by quasiparticles depend on the direction of their motion. By taking this effect into account, it is shown that the conductance spectra strongly depend on the crystal orientation. Using Green`s function method, local density of states (LDOS) in superconductor is also calculated. The close relation between conductance spectra and LDOS is presented. The calculation is compared with experimental spectra of high-{Tc} superconductors.

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The mass-energy spectra of the fragments of thermal fission of {sup 242m}Am are measured using the time-of-flight technique. The resulting mass-yield curve and peak-to-valley ratio agree with radiochemical data. The parameters of the kinetic energy distribution of the fragments are determined for the first time. Data on the fine structure of mass spectra in the region of cold fragmentation are presented. 15 refs., 4 figs.

International Nuclear Information System (INIS)

The Monte Carlo transport codes LAHET and MCNP were used to calculate energy fluence spectra at three neutron therapy facilities. The results compare very favourably with measured data. Kerma spectra and the ratio of ICRU muscle tissue kerma to A-150 kerma, along the carbon to oxygen kerma ratio, were determined. Absorbed dose rate calculations are in reasonable agreement with measured values. Use of these codes to study modifications to existing therapy beams is briefly discussed. (author).

Science.gov (United States)

% In this work we investigated, in the Smooth Particle Hydrodynamics (SPH) framework, the development of spiral structures and shock fronts in the radial flow of accretion discs in close binary systems. These shock waves take place when the initially supersonic radial flow penetrating the disc bulk, reduces substantially its speed becoming suddenly subsonic. To this purpose, keeping constant the mass of the compact primary (M1 = 1 MO ), the separation between the two components and the injection speed at the inner Lagrangian point L1 (close to the local sound speed), we carried out 2D SPH simulations for four values of the stellar mass ratio M2/M1. We worked out 2D models because the damping effect of the artificial viscosity is too strong in 3D. Furthermore, the 2D environment seems the most suitable in order to evidence shock fronts in highly compressible ...

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The temperature dependence of the spontaneous magnetization of epitaxial iron films with a thickness ranging from d=20 to 200nm has been measured. The films are grown on GaAs (100) substrates which are covered by a 150nm thick silver (100) buffer layer. For three-dimensional BCC iron it was observed already in 1929 that saturation of the spontaneous magnetization for T->0 is perfectly described by a T{sup 2} power law. On the other hand, for thin two-dimensional (2D) iron films a T{sup 3/2} law has been established in many recent experimental investigations. In our iron films grown on diamagnetic silver, this dimensionality change occurs at a thickness between d=100 and 200nm. Comparison of the here-observed T{sup 3/2} coefficients with those on iron films grown on paramagnetic tungsten (110) shows that the 2D interactions are {approx}20 times larger in the films on tungsten. Recent results on Fe ...

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The consistency of different instruments and methods for measuring two-dimensional (2D) power spectral density (PSD) distributions are investigated. The instruments are an interferometric microscope, an atomic force microscope (AFM) and the X-ray Reflectivity and Scattering experimental facility, all available at Lawrence Berkeley National Laboratory. The measurements were performed with a gold-coated mirror with a highly polished stainless steel substrate. It was shown that these three techniques provide essentially consistent results. For the stainless steel mirror, an envelope over all measured PSD distributions can be described with an inverse power-law PSD function. It is also shown that the measurements can be corrected for the specific spatial frequency dependent systematic errors of the instruments. The AFM and the X-ray scattering measurements were used to determine the modulation transfer function of the interferometric microscope. ...

International Nuclear Information System (INIS)

Core-collapse supernovae are among Nature's most energetic events. They mark the end of massive star evolution and pollute the interstellar medium with the life-enabling ashes of thermonuclear burning. Despite their importance for the evolution of galaxies and life in the universe, the details of the core-collapse supernova explosion mechanism remain in the dark and pose a daunting computational challenge. We outline the multi-dimensional, multi-scale, and multi-physics nature of the core-collapse supernova problem and discuss computational strategies and requirements for its solution. Specifically, we highlight the axisymmetric (2D) radiation-MHD code VULCAN/2D and present results obtained from the first full-2D angle-dependent neutrino radiation-hydrodynamics simulations of the post-core-bounce supernova evolution. We then go on to discuss the new code Zelmani ...

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NMR and CD studies indicate that Mg/sup 2 +/ and Ca/sup 2 +/ are able to change the conformation of tetracycline in DMSO solution. This may affect the in vivo effect of tetracycline. Using /sup 23/Na NMR, the formation constant of NaLAS (LAS represents the anion of lasalocid A) was found to be 80 M/sup -1/ which is much smaller than that in less polar solvents. Spin-lattice relaxation measurements were made to study the binding sites of Gd/sup 3 +/ on Las in ChCl/sub 3/-DMF mixed solvent system. No intermediate conformation (between cyclic and open-chain) was found. LAS was found to be a good second-sphere ligand to inert transition-metal amines. NMR studies suggest that LAS is in cyclic conformation when bound to these metal amines. A new method for the synthesis of spin-labeled anticancer Pt(II) complexes was developed. It is very simple and gives high yield of pure spin-labeled Pt(II) complexes.

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Trichlorfon is an organophosphorus insecticide, which is extensively being used for protection of fruit crops. Trichlorfon is a thermal labile compound, which cannot be easily determined by gas chromatography (GC) and has no suitable group for sensitive detection by high performance liquid chromatography (HPLC). In this study, a {sup 31}P nuclear magnetic resonance ({sup 31}P NMR) has been described for monitoring of trichlorfon without any separation step. The quantitative works of {sup 31}P NMR spectroscopy has been performed in the presence of an internal standard (hexamethylphosphoramide). Limit of detection (LOD) for this method has been found to be 55 mg L{sup -1}, without any sample preparation, and the linear working range was 150-5500 mg L{sup -1}. Relative standard deviation (R.S.D.%) of the method for three replicates within and between days was obtained {<=}9%. The average recovery efficiency was approximately 99-112%. This ...

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 ...

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November 1989, marked the beginning of a new three-year cycle of DOE grant support, in connection with which the program underwent a major reorganization. This document presents the progress on the three objectives of the present program which are: to isolate by the technique of two-dimensional polyacrylamide gel electrophoresis (2-D PAGE), proteins of special interest because of the relative mutability of the corresponding gene, establish the identity of the protein, and, for selected proteins, move to a characterization of the corresponding gene; to develop a more efficient approach, based on 2-D PAGE, for the detection of variants in DNA, with special reference to the identification of mutations in the parents of the individual whose DNA is being examined; and, to continue an effective interface with the genetic studies on the children of atomic bomb survivors in Japan, with reference to both the ...

CERN Document Server

We assess the accuracy and relevance of the numerical algorithms based on the principles of Geometrical Optics (GO) and Physical Optics (PO) in the analysis of reduced-size homogeneous dielectric lenses prone to behave as open resonators. As a benchmark solution, we use the Muller boundary integral equations discretized with trigonometric Galerkin scheme that has guaranteed and fast convergence as well as controllable accuracy. The lens cross-section is chosen typical for practical applications, namely an extended hemiellipse whose eccentricity satisfies the GO focusing condition. The analysis concerns homogeneous lenses made of rexolite, fused quartz, and silicon with the size varying between 3 and 20 wavelengths in free space. We consider the 2-D case with both E- and H-polarized plane waves under normal and oblique incidence, and compare characteristics of the near fields.

Science.gov (United States)

We present here a study based on the migration of protoplanets in an accretion disc of a forming star, as the mainly proposed scenario for the formation of planetary systems. Attention is here focused on the mutual interactions between two protoplanets, both embedded in the accretion disc, as a function of the protoplanets masses, their relative positions, the dynamic properties of the accretion disc particles. The study is performed through a 2D SPH code and preliminary results show an oscillation of the distance between the two protoplanets, together with a slow migration of the two planets towards the central star when two Jupiter-like planets are considered. Less correlated behaviour is observed when at least one of the two protoplanets has an Earth-like mass. The role played by the disc particles initial angular momentum is discussed.

British Library Electronic Table of Contents (United Kingdom)

Objectives To investigate the feasibility and reproducibility of measurements of nasal bone length using a three-dimensional (3D) ultrasound in the first trimester. Methods In a prospective study, 118 consecutive pregnant women attending for Down syndrome screening at 11-13 + 6 weeks were recruited. They had successful fetal nasal bone measurement by two-dimensional (2D) ultrasound by four operators. Three-dimensional volumes were recorded in the mid-sagittal plane of fetal profile by the fifth operator and examined using multiplanar techniques. Another independent investigator randomly compared his measurements with one of the four operators. Results In the subsequent 3D examination, the nasal bone length could be examined in 94 cases (79.7%). The mean difference between the 2D and 3D mea...

Energy Technology Data Exchange (ETDEWEB)

There is an ever increasing demand to perform flow simulations that incorporate the complete details of geometry as well as sophisticated flow physics. This has led to the development of numerical algorithms that can simulate the actual flow phenomena with greater fidelity. However, the success of these algorithms hinges on the grid that models the geometry. Grid generation methods for 2-D models have long existed and the general lack of complexity of the simpler 2-D models has not quite challenged the efforts in this area. However, demands for generating better 3-D geometric models for flow simulations involving complex geometries have completely changed the perspective of grid generation strategies. As a consequence, grid generation efforts have earned equal significance as that of numerical solver efforts.

Science.gov (United States)

Migration of protoplanets inside an accretion disc of a forming star is the most probable scenario for planetary system formation according to current models. Unsolved problems exist, concerning migration times and mechanisms. We report here the results of a 2D hydrodynamic study within an SPH scheme, analysing migration of an Earth-like or a Jupiter-like planet inside an inviscid sub-Keplerian accretion disc, as a function of the initial specific angular momentum of the infalling accretion disc matter. Particle capture by the protoplanet causes a rapid migration, within a few orbits, for the Earth like planet, and about 104 orbits for the Jupiter like planets. The effect of a planet pseudo-atmosphere is also discussed.

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)

Energy Technology Data Exchange (ETDEWEB)

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

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)

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...

International Nuclear Information System (INIS)

We measured neutron time-of-flight spectra from 90 MeV protons and 140 MeV alpha particles bombarding thin targets of Al, Ni, Zr, and Bi at laboratory angles between 20_0 and 135_0. The low-energy (5 to 45 MeV) portions of the spectra were measured with 5 cm diameter by 5 cm deep NE-213 counters at 1 m flight paths with n-#betta# pulse-shape discrimination. The high-energy (35 to 150 MeV) portions of the spectra were measured with 12.7 cm diameter by 10.2 cm deep NE-102 counters at flight paths of 2.0 to 5.0 m. The proton-induced measured neutron spectra reveal three distinct energy regions: a low-energy evaporation region, a high-energy region dominated by the quasifree scattering process, and an intermediate-energy region dominated by multistep, preequilibrium processes. In the latter two regions, the spectra show strong angular dependence. The alpha-particle induced neutron ...

Energy Technology Data Exchange (ETDEWEB)

The WBURN (2-D, 2-group, coarse mesh) code is developed to analyze the equilibrium core characteristics of CANDU-PHWR. The equilibrium characteristics of Wolsung reactor computed by using WBURN are compared with the values given in the Wolsung FSR. The changes of equilibrium core characteristics caused by the variation of design parameters for operating conditions are also investigated. The numerical results indicate that the average discharge irradiation in the Wolsung reactor can be increased up to about 5%.

International Nuclear Information System (INIS)

The rare earth antimonates RE_3Sb_5O_1_2 constitute an isostructural series, where the rare earth site symmetry is S_4. The spectroscopic properties of pure or doped compounds of this family are studied in order to derive their energy level schemes and to simulate them through the crystal field theory, by using the approximated D_2_d potential. The paramagnetic susceptibilities are calculated with the derived wavefunctions and compared to experiment.

Science.gov (United States)

A flutter-motion equation is presently derived for a 2D composite sandwich panel considering the total lateral displacement of the plate as the sum of the displacement due to bending of the plate, and that which is due to shear deformation at the core. The effects of core thickness and stacking sequence of the faces on the flutter boundary of the plate are discussed; it is shown that the sandwich panel greatly improves the flutter boundary over that of a composite laminate panel, provided it has sufficient core thickness.

International Nuclear Information System (INIS)

2D MEDICI simulator is used to investigate hardening solutions to single-event burnout (SEB). SEB parametric dependencies such as carrier lifetime reduction, base enlargement, and emitter doping decrease have been verified and a p"+ plug modification approach for SEB hardening of power MOSFETs is validated with simulations on actual device structures.

UK PubMed Central (United Kingdom)

ObjectiveWe wanted to assess the usefulness of four-dimensional (4D) ultrasonography (US), i.e., real-time three-dimensional US, as an adjunct for performing various US-guided interventional...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The role of dietary calcium and phosphorus in modifying the intestinal absorption of lead and also the effect of lead ingestion on the metabolism of cholecalciferol were studied in chicks. The efficiency of absorption of /sup 203/Pb and /sup 47/Ca was increased when the animals were fed a low calcium diet and treated with cholecalciferol. The synthesis of the vitamin D-induced calcium-binding protein (CaBP) was correspondingly increased. When the chicks were depleted of vitamin D and repleted with 1,25-dihydroxycholecalciferol (1,25(OH)/sub 2/D/sub 3/) as their only source of the vitamin, the absorption of both /sup 47/Ca and /sup 203/Pb was unaffected by dietary calcium levels, and no change in CaBP levels occurred. Low dietary intake of phosphorus resulted in an increase in /sup 47/Ca and /sup 203/Pb absorption and in CaBP synthesis when the animals were treated with cholecalciferol. However, when the birds were repleted with 1,25(OH)/sub ...

UK PubMed Central (United Kingdom)

The first enzyme-catalyzed reaction leading from indole-3-acetic acid (IAA) to the myo-inositol esters of IAA is the synthesis of indole-3-acetyl-1-O-;2;-d-glucose...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

While tritium exposure to the site-workers in Wolsung NPP is up to about 40% of the total personnel exposure, Ministry of Science and Technology has asked tritium removal facility for requirement of post heavy-water reactor construction. For the purpose of essential removal of tritium from the Wolsung heavy-water reactor system, a preliminary study on the cryogenic Ar-N{sub 2} and H{sub 2}-D{sub 2} distillation process for development of liquid-phase catalytic exchange cryogenic hydrogen distillation process technology. The Ar-N{sub 2} distillation column showed good performance with approximately 97% of final Ar concentration, and a computer simulation code was modified using these data. A simulation code developed for cryogenic hydrogen isotopes (H{sub 2}, HD, D{sub 2}, HT, DT, T{sub 2}) distillation column showed good performance after comparison with the result of a JAERI code, and a H{sub 2}-D{sub ...

International Nuclear Information System (INIS)

Power devices such as MOSFETSs and IGBTs, include parasitic structures that can give rise to destructive failures such as breakdown and latch-up. To determine a suitable strategy for device radiation hardening, simulation software like MEDICI-2D can be used to model the effects of technological modifications and device parameters that are difficult to measure experimentally. (authors).

International Nuclear Information System (INIS)

We present in this paper the computer code BACCHUS, to analyze the thermal-hydraulics in a rod bundle in single or two-phase flow regime. The model is 2-D and uses the porous body approach. The two-phase model is an extension of the classical homogeneous model, and includes a differential non-equilibrium equation. Results are shown for the extension of the boiling region in a 19-pin bundle. (orig.).

Scientific Electronic Library Online (English)

Abstract in english This paper presents an HP-Adaptive Procedure with Hierarchical formulation for the Boundary Element Method in 2-D Elasticity problems. Firstly, H, P and HP formulations are defined. Then, the hierarchical concept, which allows a substantial reduction in the dimension of equation system, is introduced. The error estimator used is based on the residual computation over each node inside an element. Finally, the HP strategy is defined and applied to two examples.

Energy Technology Data Exchange (ETDEWEB)

We propose a novel scheme for scalable solid state quantum computing, where superconducting microwave transmission line resonators (cavities) are arranged in a two-dimensional grid on the surface of a chip, coupling to superconducting qubits (charge or flux) at the intersections. We analyze how tasks of quantum information processing can be implemented in such a topology, including efficient two-qubit gates between any two qubits on the grid and elements of fault-tolerant computation.

Energy Technology Data Exchange (ETDEWEB)

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.

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

The susceptibility of solid "3He is deduced from multiple echoes observed in pulsed NMR experiments. It follows a Curie Weiss law at high temperature, increases faster than this law below 5 mK and drops abruptly around 1 mK. (Auth.).

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

Emission spectra obtained for three irradiated granular quartz samples under 1.43 eV excitation exhibited the 2.2 and 3.1 eV emission bands characteristic of feldspars. Excitation spectra of these same samples and several others show the 1.44 eV resonance typical of feldspars. This provides convincing evidence that the 2.2 and 3.1 eV infrared stimulated luminescence observed in these granular quartz samples arises from feldspar inclusions.

International Nuclear Information System (INIS)

Delayed neutron energy spectra have been measured for six delay-time intervals following the fast fission of "2"3"8U nuclei. The delay-time intervals span the range 0.17 to 10.2 seconds following initial fission while the measured spectra span neutron energies from 10 keV to 4 MeV. The experiment was performed utilizing the UMass/Lowell 5.5 MV Van de Graff accelerator to produce fast neutrons for inducing fission in a "2"3"8U lined fission chamber. The fission fragments were flushed via a helium jet stream to a well-shielded counting room where they were deposited onto a moving tape (magnetic audio tape) and transferred to a beta-neutron time-of-flight spectrometer. By adjusting the tape speed, composite delayed neutron time-of-flight spectra were measured for several different delay-time intervals. These measurements involved beta-neutron coincidences with "6Li-loaded glass scintillators for neutron energies from 10 keV to ...

International Nuclear Information System (INIS)

The uncertainty of the elemental analysis is one of the major factors governing the utility of on-line Prompt Gamma Neutron Activation Analysis (PGNAA) in the blending and sorting of bulk materials. In this paper, a general method applicable to Gamma spectra processing is presented and applied to PGNAA in mineral industry. Based on the Fourier transform of spectra and their de-correlation in the Fourier space (the improvement of the conditioning of the correlation matrix), processing of overlapping of characteristic peaks minimizes the propagation of random errors, which optimizes the accuracy and decreases the detection limits of elemental analyses. In comparison with classical methods based on the linear combinations of relevant regions of spectra the improvement may be considerable, especially when several elements are interfering. The method is applied to four case stories covering both borehole logging and on-line ...

International Nuclear Information System (INIS)

In recent years sufficient new spectra of actinides in their numerous valence states have been measured to encourage a broader scale analysis effort than was attempted in the past. Theoretical modelling in terms of effective operators has also undergone development. Well established electronic structure parameters for the trivalent actinides are being used as a basis for estimating parameters in other valence states and relationships to atomic spectra are being extended. Recent contributions to our understanding of the spectra of 4+ actinides have been particularly revealing and supportive of a developing general effort to progress beyond a preoccupation with modelling structure to consideration of the much broader area of structure-bonding relationships. We summarize here both the developments in modelling electronic structure and the interpretation of apparent trends in bonding. 60 refs., 9 figs., 1 tab.

International Nuclear Information System (INIS)

... alpha beams energy-level transitions gamma spectra iridium 187 iridium 189

International Nuclear Information System (INIS)

The report considers experimental and theoretical works on studying the energy spectra of prompt neutrons emitted in spontaneous fission and neutron induced fission of Minor Actinides. It is noted that neutron spectra investigations were done for only a small number of such nuclei, most measurements, except those of Cf-252, having been carried out long ago by obsolete methods and imperfectapparatus. The works have no detailed description of experiments, analysis of errors, detailed numerical information about results of experiments. A conclusion is made that the available data do not come up to modern requirements. It is necessary to make new measurements of fission prompt neutron spectra of transuranium nuclides important for the objectives of working out a conception of minor actinides transmutation by means of special reactors. (author).

Energy Technology Data Exchange (ETDEWEB)

The first application of optical Stark modulation has been applied to measure spatially precise Stark-modulated IR absorption spectra in a flame.

International Nuclear Information System (INIS)

(Dec 1973). United States Chevarier, A. Chevarier, N. Demeyer, A.

International Nuclear Information System (INIS)

(1 Oct 1979). German Democratic Republic Alekseeva, OK Onishchuk, VA

Science.gov (United States)

By W. Wayne Scott. Langley Research Center. SUMMARY. Thin- and thick-target bremsstrahlung spectra are presented for electron energies up to 7.0 MeV. ...

International Nuclear Information System (INIS)

From self-consistent band structure calculations using the 'augmented plane wave'(APW) method, the density of states can be decomposed into local partial (according to azimuthal quantum number l) components, the l-character densities. Within the APW formalism the intensity of X-ray emission spectra is determined by radial transition probabilities and l-character densities of such valence states, which reside inside the same atomic sphere as the core vacancy and whose quantum number l differs by +-1 from the one corresponding to the core state. By taking into account lifetime broadening of the core and valence states and also the instrumental broadening the computed spectra (non-metal K-, vanadium K- and Lsub(III)-spectra) agree well with experiment. (orig.).

International Nuclear Information System (INIS)

Of some interest is the comparison between the actinide nuclide burning up (fission) rates such as americium 241, americium 242, curium 244, and neptunium 237, in the reactors with fast or thermal neutron spectra.

Energy Technology Data Exchange (ETDEWEB)

In this paper para boson-fermion supersymmetry is exemplified in simple oscillator systems. The parasupercharge satisfies the ordinary supersymmetry algebra. The parabosonic and parafermionic oscillators do not commute and the energy spectra are non-trivial for even the one level system. The authors calculate the partition functions and compare with those for the non-supersymmetric systems.

International Nuclear Information System (INIS)

An original evaluating method of gain degradation has been found for neutron irradiated transistors. It establishes a correlation between degradation and the product of two coefficients: spectra factor and an electrical parameter which is measured or directly deduced from manufacturer's data. Equivalence for several type of spectra (fission, 14MeV and degradation sensitivity to electrical parameters values of individual components of a batch are obtained.

International Nuclear Information System (INIS)

The complexing of paramagnetic salts of molybdenum and tungsten with tri-tert-butylphenyl ester of 1,2-naphthoquinone-diazide-(2)-5-sulfochloride is studied by PMR and EPR methods. From the changes of half-widths of lines in PMR spectra and analysis of g-factor in EPR spectra, the kinetic and thermodynamic parameters of the complexing are determined, and the composition of the complexes formed is established, and the schemes of their formation are suggested.

Energy Technology Data Exchange (ETDEWEB)

Energy spectra of the Bragg reflection of the Moessbauer ..gamma..-radiation from the /sup 57/Fe/sub 3/BO/sub 6/ weakly ferromagnetic monocrystal are studied. A strong effect of the interference transitions in iron nuclei, being in non-equivalent positions, on the spectra form is revealed. The measurement results are compared with theoretical calculations.

International Nuclear Information System (INIS)

Intrinsic crossluminescence (CRL) of CsBr, CsCl, and of BaF_2 was investigated with electron-beam and synchrotron radiation excitation. From the CRL spectra, the excitation spectra and the reflectivity, energy level schemes were deduced. Extrinsic CRL was observed changing either the initial (CsCl:Br"-) or the final (RbCl:Cs"+; KCl:Cs"+) state of CRL by doping. (author).

Energy Technology Data Exchange (ETDEWEB)

The gamma-ray spectrum following neutron capture on /sup 87/Sr was measured at 3 neutron energies: E/sub n/ = thermal, 2 keV, and 24 keV. Gamma rays were detected in a three-crystal Ge(Li)-NaI-NaI pair spectrometer. Gamma-ray intensities deduced from these spectra by spectral unfolding are presented.

International Nuclear Information System (INIS)

Neutron time-of flight spectra were measured from 90 MeV protons and 140 MeV alpha-particle bombardment of Al, Ni, Zr, and Bi at laboratory angles between 20"0 and 130"0. The proton induced neutron spectra reveal three distinct energy regions; a low energy evaporation region, a high-energy region dominated by quasi-free scattering processes and an intermediate-energy region dominated by multi-step, pre-equilibrium processes. In the latter two regions, the spectra show strong angular dependence. The alpha-induced neutron spectra show these same distinct energy regions plus an exponential fall-off above the beam energy per nucleon. The high-energy portions of the forward-angle neutron and proton cross sections are in ratios consistent with the assumption that single nucleon-nucleon scattering dominates. For heavy-mass targets, the low-energy evaporation regions show neutron yields larger than proton ...

Energy Technology Data Exchange (ETDEWEB)

The authors investigate the breakdown luminescence spectra in reverse-biased p-n heterojunctions based on gallium and aluminum phosphides and arsenides for the purpose of determining their behavior as lasing and photodetection materials. Data are given on temperature coefficients, band gap structure, bremsstrahlung, hot carrier mobility and photon emission, and transition and recombination parameters.

Energy Technology Data Exchange (ETDEWEB)

Neutron and gamma ray energy spectra were measured using an NE-213 scintillator at depths of 7.2, 15.2, and 22.2 cm in a tissue-equivalent phantom which was uniformly irradiated on one face by deuterium--tritium (DT) neutrons. Coupled neutron--gamma ray multigroup discrete-ordinates calculations were performed using semi-infinite slab geometry. These calculations were used to supplement the measured spectra below 1 MeV. Similar calculations were performed to study the perturbation in the phantom due to the detector. The measured and calculated spectra were used to determine the kerma distributions for neutrons and gamma rays at each location. The gamma radiation was determined to contribute more than 10% of the total dose at each depth. The calculated kerma also reveals that a knowledge of the gamma ray spectra below 1 MeV is desirable. Key words: neutron--gamma spectra, ...

International Nuclear Information System (INIS)

Theoretical interpretation of fast-charged-particle spectra, observed in the #alpha#-particle-induced reactions on the s-d shell nuclei (A = 24-28), in terms of the Intranuclear Cascade Model and the GDH exciton model (ALICE) is presented. The de-excitation of the excited residual nuclei is accounted for by the evaporation process. The theoretically predicted fast-proton and #alpha#' spectral shapes compare reasonably well with the corresponding measured spectra. However, the magnitude depends critically (as expected) on the reaction cross section employed by the model. As a first step to improve the model predictability of the reaction products, a closer look at the calculation of the #alpha#-particle reaction cross sections was undertaken. A microscopic approach using the optical theorem of Glauber's theory was employed to estimate the #alpha#-induced reaction cross sections for the light target nuclei under consideration. The calculated ...

Energy Technology Data Exchange (ETDEWEB)

Plutonium-containing compounds vary widely in isotopic content, and as a result, the dose as function of isotopic content also varies considerably. Determination of the dose from neutrons, decay and capture gammas from plutonium in the form of compounds thus requires that the spontaneous fission and ({alpha},n) source and spectra from each individual isotope be known. To facilitate dose calculations from plutonium-containing compounds, we have calculated the spontaneous fission and ({alpha},n) sources and spectra for 1 g of each of the plutonium isotopes in the form of either PuF{sub 4} or PuO{sub 2}. As {sup 241}Am is often a component in a mixture of plutonium isotopic compounds, the source and spectra from 1 g of {sup 241}Am mixed with PuF{sub 4} or PuO{sub 2} has also been determined. Using these results, the neutron source and spectra may be determined for any sample composition. 2 refs., 3 tabs.

CERN Document Server

In the present study, applications of the SPH method to industrial related issues are considered by starting from an existing open source 2D SPH code, namely the SPHYSICS code, which offers an effective ground for numerical developments, which are performed in order to bring an answer to industrial problems, such as simulations of solid/fluid coupling in a free surface flow context. The purpose of the present paper is therefore to expose the numerical developments which yield an enhanced version (referred to as "SPHYSIC2") of the initial code. Firstly, the different features added to obtain the operational code needed for engineering applications are described, and so are the problems raised on this way, offering a kind of review of SPH methods for engineers. Secondly, the validation of the proposed code is partially presented with two well known but difficult test cases, namely the classical "dam break" and "wedge entry" problems. Thirdly, ...

Energy Technology Data Exchange (ETDEWEB)

In the development of the man-made island siting technology of nuclear power plants, assessing the stability of the seawall against large ocean waves and earthquakes is indispensable. Concerning with the seismic stability of the seawall, prediction of the deformation like sliding and settlement of the seawall during earthquake including the armour units in front of the caisson becomes important factor. For this purpose, the authors have developed the two-dimensional DEM-FEM coupled analysis method (SEAWALL-2D) to predict the deformation of the seawall covered with the armour units during earthquake. In this method, movements of the armour units are calculated in DEM analysis part and deformation of the caisson, rubble moundsand seabed and back fill are calculated in FEM analysis part taking the nonlinearity of the soil materials based on the effective stress into account. Numerical simulations of dynamic centrifuge model tests of the seawall ...

Environmental Research Database

Objectives1. The study of the automatic alignment of electrically charged optical fibres.~%~~%~2. The design and construction of a prototype system for assembly of the fibres.~%~~%~3. The fabrication of a proof-of-principle 4-by-4 fibre array.~%~~%~4. The test and characterisation of the prototype fibre bundle in terms of translational and angular positioning accuracy.~%~~%~5. A paper design of a full-scale automated system.~%~~%~6. Enable commercial exploitation.~%~DescriptionThis multidisciplinary programme aims to investigate and develop an 'adventurous' process for manufacturing 2-D optical fibre arrays, with at least an order of magnitude improvement in the positional and angular tolerances of the mono-mode fibres compared to conventional techniques. Manufacturable, dense 2-D optical fibre arrays are essential ...

Energy Technology Data Exchange (ETDEWEB)

Groom-Bailey decomposition analysis was carried out to investigate regional 3-D galvanic distortion on MT data in the central part of Northeastern Japan. Measuring sites were located nearly along the east-west line crossing Northeastern Japan. Three measuring lines (A, B, C) from the north to the south were prepared, and only data on the C line were analyzed in this paper. As a result, twist and shear were estimated to be not zero depending on local distortion in most of the sites. It was thus clarified that this method is not always perfect. This method was effective for regional 2-D structures, however, its application was doubtful to complicated 3-D underground structures in Japan. In order to obtain more accurate results, 2-D analysis using the impedance including no local distortion effect was necessary after the preliminary Groom-Bailey decomposition analysis. The direction of the wide area ...

CERN Document Server

Current theories on planetary formation establish that giant planet formation should be contextual to their quick migration towards the central star due to the protoplanets-disc interactions on a timescale of the order of $10^5$ years, for objects of nearly 10 terrestrial masses. Such a timescale should be smaller by an order of magnitude than that of gas accretion onto the protoplanet during the hierarchical growing-up of protoplanets by collisions with other minor objects. These arguments have recently been analysed using N-body and/or fluid-dynamics codes or a mixing of them. In this work, inviscid 2D simulations are performed, using the SPH method, to study the migration of one protoplanet, to evaluate the effectiveness of the accretion disc in the protoplanet dragging towards the central star, as a function of the mass of the planet itself, of disc tangential kinematics and of the presence of a planet ``pseudo-atmosphere''. To this ...

CERN Document Server

We present Sauron 2D spectrography of the central 1.5 kpc of the nearby Sey2 galaxy NGC1068, encompassing the well-known NIR inner bar. We have successively disentangled the respective contributions of the ionized gas and stars, thus deriving their 2D distribution and kinematics. The [OIII] and Hbeta emission lines exhibit very different spatial distribution and kinematics, the latter following inner spiral arms with clumps associated with star formation. Strong inwards streaming motions are observed in both the Hbeta and [OIII] kinematics. The stellar kinematics also exhibit clear signatures of a non-axisymmetric tumbling potential, with a twist in both the velocity and h3 fields. We re-examined the long-slit data of Shapiro et al (2003) using pPXF: a strong decoupling of h3 is revealed, and the central decrease in h4 hinted in the Sauron data is confirmed. These data also suggest that NGC1068 is a ...

Energy Technology Data Exchange (ETDEWEB)

Our studies have shown that endotoxin intratracheally instilled into the rat lung induces proliferation of alveolar type II cells. In that study, the alveolar type II cells. In that study, the alveolar type II cell hyperplasia occurred 2 d after instillation of endotoxin and persisted for a further 2 d. After hyperplasia, the lung remodeled and returned to a normal state within 24-48 h. Understanding the mechanisms involved in the remodeling process of this transient hyperplasia may be useful to identify molecular changes that are altered in neoplasia. The purpose of the present study was to corroborate induction of epithelial cell hyperplasia by endotoxin and to delineate mechanisms involved in tissue remodeling after endotoxin-induced alveolar type II cell hyperplasia. In conclusion, immonostaining with cyclin D1 and cytokeratin shows that endotoxin induced epithelial cell proliferation and resulted ...

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Although ultrasonic testing inspection technology and tools have improved significantly, there is still a need for more reliable detection, monitoring, and accurate sizing of crack-like and planar defects, complex corrosion damage, and detection of secondary features within deformed pipe. Ultrasonic two dimensional (2D) matrix phased array technology offers some unique advantages that make the technology promising for improving detection and sizing of pipeline flaws resulting from welding or from in-service damage. Ultrasonic modeling and simulation has been conducted to evaluate the detection and sizing capabilities of 2D matrix arrays for various pipeline inspection concepts. Simulations have been performed using both flexible and rigid array probes. Inspection concepts using rigid probes were evaluated for inspections from both the outside and inside pipe surfaces, while flexible probes were ...

International Nuclear Information System (INIS)

Electron elastic and collisional excitation cross sections from the ground state of potassium are calculated using the noniterative integral-equation method of Henry, Rountree, and Smith [Comput. Phys. Commun. 23, 233 (1981)] in the electron energy range 4#<=#E#<=#200 eV. Configuration-interaction target wave functions that take account of correlation and polarization effects are used to represent the ground state and the six lowest excited states 4p "2P degree, 5s "2S, 3d "2D, 5p "2P degree, 4d "2D, and 6s "2S. Elastic and discrete excitation cross sections are obtained in a seven-state close-coupling (7CC) approximation. The 7CC elastic and excitation cross sections are compared and contrasted. Near threshold the elastic cross section dominates the resonance, 4s "2S#->#4p "2P degree, and the sum of the other remaining excitation cross sections. Comparison of our total cross sections with some ...

CERN Document Server

The combination of large thickness ($>3$ $\\mu$m), large--area uniformity (75 mm diameter), high growth rate (up to 0.4 $\\mu$m/min) in assemblies of complex--shaped nanowires on lithographically defined patterns has been achieved for the first time. The nanoscale and the microscale have thus been blended together in sculptured thin films with transverse architectures. SiO$_x$ ($x\\approx 2$) nanowires were grown by electron--beam evaporation onto silicon substrates both with and without photoresist lines (1--D arrays) and checkerboard (2--D arrays) patterns. Atomic self--shadowing due to oblique--angle deposition enables the nanowires to grow continuously, to change direction abruptly, and to maintain constant cross--sectional diameter. The selective growth of nanowire assemblies on the top surfaces of both 1--D and 2--D arrays can be understood and predicted using simple geometrical shadowing ...

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 ...

Energy Technology Data Exchange (ETDEWEB)

GSTD1 is one of several insect glutathione S-transferases capable of metabolizing the insecticide DDT. Here we use crystallography and NMR to elucidate the binding of DDT and glutathione to GSTD1. The crystal structure of Drosophila melanogaster GSTD1 has been determined to 1.1 {angstrom} resolution, which reveals that the enzyme adopts the canonical GST fold but with a partially occluded active site caused by the packing of a C-terminal helix against one wall of the binding site for substrates. This helix would need to unwind or be displaced to enable catalysis. When the C-terminal helix is removed from the model of the crystal structure, DDT can be computationally docked into the active site in an orientation favoring catalysis. Two-dimensional {sup 1}H,{sup 15}N heteronuclear single-quantum coherence NMR experiments of GSTD1 indicate that conformational changes occur upon glutathione and DDT binding and the residues that broaden upon DDT ...

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 ...

Energy Technology Data Exchange (ETDEWEB)

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