Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Science.gov (United States)

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

British Library Electronic Table of Contents (United Kingdom)

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

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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 coupling for resonance assignments of protonated and nonprotonated carbons, respectively. ...

British Library Electronic Table of Contents (United Kingdom)

A mixture of long-chain hydrocarbons constituted by nonacosane (29C, 7.5%), hentriacontane (31C, 48.3%), and tritriacontane (33C, 30.1%), the ester 1?-acetyloxymethylpentacosa-20?-enyl 10-hydroxydecanoate (2), ?-amyrin (3), friedelin (4), and lupeol (5), and 3?-hydroxy-D:B-friedo-olean-5-ene (6) were identified as constituents of fruits of Maytenus salicifolia Reissek (Celastraceae). The structural formula and the stereochemistry of compound 6 were established by the data obtained through 1H and 13C NMR spectroscopy, including DEPT-135 and 2D (HMQC, HMBC, and NOESY) experiments. By analysis of the spectral data, it was possible to correct seven chemical shift assignments of compound 6, which were erroneous attributed and published in the scientific literature.

International Nuclear Information System (INIS)

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

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 ...

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

KoreaScience (Korea)

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British Library Electronic Table of Contents (United Kingdom)

The 1H NMR, electronic absorption, and luminescence spectra, as well as voltammograms of the reduction and oxidation of the complexes [Pd(C?N)(N?N)]ClO4 and [Pd(C?N)(?-OOCCH3)]2 [where (C?N)? is deprotonated 2-phenyl-4,5-dihydro-1,3-oxazole, and N?N is ethylenediamine or 2,2?-bipyridine (bpy)] were compared. Magnetic nonequivalence of protons in the dihydrooxazole ring and upfield shift of the corresponding signals were observed as a result of anisotropic effect of the ring current in palladated phenyl substituents in the [Pd(C?N)(?-OOCCH3)]2 complex having a C 2 symmetry. One-electron reduction wave of [Pd(C?N)bpy]+ was assigned to ligand-centered electron transfer to the ?* orbital of 2,2?-bipyridine, and two oxidation waves of [Pd(C?N)(?-OOCCH3)]2 were attributed to successive one-elect...

Energy Technology Data Exchange (ETDEWEB)

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

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

Science.gov (United States)

... position must not be penalized in their NCO Evaluation Report (NCOER). ... failure to perform MOS-, SQI-, or ASI-related duties after counseling. ...

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

KoreaScience (Korea)

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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 ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared

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,

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

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...

Science.gov (United States)

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

International Nuclear Information System (INIS)

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

British Library Electronic Table of Contents (United Kingdom)

Cache locking technique is often utilized to guarantee a tighter prediction of Worst-Case Execution Time (WCET) which is one of the most important performance metrics for embedded systems. However, in Multi-Processor Systems-on-Chip (MPSoC) systems with multi-tasks, Level 2 (L2) cache is often shared among different tasks and cores, which leads to extended unpredictability of cache. Task assignment has inherent relevancy for cache behavior, while cache behavior also affects the efficiency of task assignment. Task assignment and cache behavior have dramatic influences on the overall WCET of MPSoC. This paper proposes joint task assignment and cache partitioning techniques to minimize the overall WCET for MPSoC systems. Cache locking is applied to each task to guarantee a precise WCET. We pr...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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.

UK PubMed Central (United Kingdom)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

Science.gov (United States)

The Directive establishes a single manager for the Department of Defense Military Working Dog Program, provides policy, prescribes procedures, and assigns responsibilities.

Science.gov (United States)

... Abstract : Fifty-nine Grenada veterans currently assigned to the 82nd Airborne Division and the 1st and 2nd Battalions of the 75th Ranger Regiment ...

Science.gov (United States)

... Ward, William E. Brigadier General, Assistant Division Commander (Support), 82nd Airborne Division, Fort Bragg, North Carolina, Chief, Office of ...

Science.gov (United States)

... Ward, William E. Brigadier General, Assistant Division Commander (Support), 82nd Airborne Division, Fort Bragg, NC, Chief, Office of Military ...

Science.gov (United States)

7.5.6 Conclusions of the Generic Metroplex Queueing Simulation . ...... the systemwide arrival delays incurred at the metroplex terminal-area ...... assignment rules, estimated nominal transit speeds or times by domain, and stochastic ...

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

International Nuclear Information System (INIS)

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

UK PubMed Central (United Kingdom)

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

UK PubMed Central (United Kingdom)

³¹P nuclear magnetic resonance (NMR) spectroscopy was used to monitor the response of oil palm (Elaeis guineensis) and carrot (Daucus carota) cell suspensions...Full Text Available

British Library Electronic Table of Contents (United Kingdom)

A joint experimental and theoretical analyses based on the grounds of DFT anharmonic potential and the use of a variational method allow us to revisit and assign the gas phase spectra of vinylarsine in the mid-IR area until 6300cm-1. Several weak and very weak bands corresponding to overtones and combinations are newly observed and assigned in complement to the fundamental bands.

International Nuclear Information System (INIS)

Over the five year period of performance, thirteen task assignments were issued by the DOE to ARINC Research. During the two year base period seven tasks were assigned. Two task assignments were issued for each of the three consecutive one year option periods. Associated with all task assignments were multiple subtasks, some of which required significant effort. These subtasks are appropriately cited in this report under their respective task assignments as principal work activities or deliverables. The technical and management support provided to the DOE under this contract focused on two general areas: (1) appraisal activities and (2) non-appraisal activities. Support to appraisals included planning, document review, developing lines-of-inquiry, interviewing, data collection, report writing, and follow-up. Such work was executed both on-site at the DOE facility under review and ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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)

Image subtraction techniques, in conjunction with [75Se]selenomethionine (75Se) scintigraphy, have recently been suggested to be a potentially valuable tool for localization of parathyroid abnormalities. With use of these techniques, we prospectively studied 15 patients scheduled for parathyroid operations. Postoperatively, all were normocalcemic. Anterior scintiscans of the neck were divided into quadrants, and regions of enhanced uptake were assigned to one or more quadrants. On this basis, by chance alone a minimum of 25% of single-gland enlargements would be assigned to the correct quadrant of the neck. We found that by use of 75Se scanning only 8 of 22 abnormal glands (36%) were assigned to the quadrant of the neck in which they were found intraoperatively. In no case was a clearly visualized focus of parathyroid activity encountered. These results do not justify the continued use of 75Se scintigraphy with or without ...

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)

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.

Energy Technology Data Exchange (ETDEWEB)

Synaptobrevin is a synaptic vesicle protein that has an essential role in exocytosis and forms the SNARE complex with syntaxin and SNAP-25. We have analyzed the structure of isolated synaptobrevin and its binary interaction with syntaxin using NMR spectroscopy. Our results demonstrate that isolated synaptobrevin is largely unfolded in solution. The entire SNARE motif of synaptobrevin is capable of interacting with the isolated C-terminal SNARE motif of syntaxin but only a few residues bind to the full-length cytoplasmic region of syntaxin. This result suggests an interaction between the N- and C-terminal regions of syntaxin that competes with core complex assembly.

International Nuclear Information System (INIS)

The authors have performed a preliminary design for a persistent GHz NMR magnet at 23.5 T and 1.8 K operating conditions. In this paper the authors shall address the issues of realistic conductor selection, the coil design, the magnetic and mechanical analysis of the coil, and the required field uniformity. In addition, they shall describe the GHz magnet cryostat with a practical 1.8 K J-T refrigerator system. Finally vibration isolation system and field shield design and its associated field harmonics will be analyzed.

UK PubMed Central (United Kingdom)

Current genome-wide association studies (GWAS) are moving towards the use of large cohorts of primary cell lines to study a disease of interest and to assign biological relevance to the genetic signals...Full Text Available

International Nuclear Information System (INIS)

There are 173 three quasiparticle rotational bands, out of which 38 bands display signature splitting and sometimes a signature inversion also. The observed signature splitting is basically due to the higher order Coriolis coupling and calculation based on particle rotor model (PRM) are in progress

UK PubMed Central (United Kingdom)

While making economic choices, individuals assign subjective values to the available options. Values computed in different behavioral conditions, however, can vary substantially. The same person...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

This conference was held December 4--8, 1994 in Asilomar, California. The purpose of this meeting was to provide a forum for exchange of state-of-the-art information concerning the prediction of protein structure. Attention if focused on the following: comparative modeling; sequence to fold assignment; and ab initio folding.

Energy Technology Data Exchange (ETDEWEB)

The 1976 version of Nuclear Data Sheets for A = 99 (76Bu07) has been revised. Detailed level and decay schemes, arguments for J..pi.. assignments, and experimental data are presented. copyright 1988 Academic Press, Inc.

UK PubMed Central (United Kingdom)

Background Little is known about how migrants adapt to first-world public health systems. In Norway, patients are assigned a registered general practitioner (RGP) to provide basic care...Full Text Available

UK PubMed Central (United Kingdom)

In a cross-over study, participants (n=59) were randomly assigned to receive either 100 kcal packs or standard size packages of snacks for 1-week. After a minimum of a 1-week washout period,...Full Text Available

Science.gov (United States)

processes, we construct a stochastic dynamic model for air- craft counts in ... Also , queueing models for the arrival of aircraft at ... A queueing model has also been used to study ...... Assignment and Aircraft-Sequencing Algorithms in Terminal ...

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...undertake missions and tasks (on either a...Secretary of Defense to task the DoD Components...the Chairman of the Joint Chiefs of Staff any commitment of military forces assigned to the Unified... (9) Military forces employed in MSCA...approval from higher headquarters, local military...

British Library Electronic Table of Contents (United Kingdom)

Background Stimulated by the concept of Natural Orifice Transluminal Endoscopic Surgery (NOTES), minimizing the access even further has become a new trend in minimally invasive surgery. We compare our recently described new method of endoscopic single-access adrenalectomy with the conventional retroperitoneoscopic approach in a matched-pairs study. Methods Fifty single-access retroperitoneoscopic adrenalectomies (SARA) were performed in 47 selected patients suffering from Conn?s adenomas (n?=?20), pheochromocytomas (n?=?15), Cushing?s adenomas (n?=?6), and other diseases (n?=?6). For SARA, a single 2-cm skin incision beneath the 12th rib was used. Following creation of the retroperitoneal space with the rigid endoscope, dissection was carried out single-handed. Another 47 patients served a...

International Nuclear Information System (INIS)

Environmental Impact Assessment (EIA) must account for legally protected and endangered species. Uncertainties relating to the validity and sensitivity of EIA arise from predictions and valuation of effects on these species. This paper presents a validity and sensitivity analysis of a model (BIO-SAFE) for assessment of impacts of land use changes and physical reconstruction measures on legally protected and endangered river species. The assessment is based on links between species (higher plants, birds, mammals, reptiles and amphibians, butterflies and dragon- and damselflies) and ecotopes (landscape ecological units, e.g., river dune, soft wood alluvial forests), and on value assignment to protected and endangered species using different valuation criteria (i.e., EU Habitats and Birds directive, Conventions of Bern and Bonn and Red Lists). The validity of BIO-SAFE has been tested by comparing predicted effects of landscape changes on the diversity of protected and ...

Energy Technology Data Exchange (ETDEWEB)

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.

International Nuclear Information System (INIS)

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

CERN Document Server

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

International Nuclear Information System (INIS)

A dense silica glass was prepared by consolidating a highly dispersed silicic acid powder (particle size 1H magic-angle spinning (MAS) NMR confirmed an increase in hydroxyl groups in the sample prepared by SPS relative to that of the conventional SiO2 reference glass. Aside from the comparably high water content, we conclude from the similarity of the IR-reflectance and the 29Si MAS NMR spectra of the SPS sample and the corresponding spectra of the conventionally prepared silica glass, that the short- and medium-range order is virtually the same in both materials. Raman spectroscopy, however, suggests that the number of three- and four-membered rings is significantly smaller in the SPS sample compared to the conventionally prepared sample. Based on these results we conclude that it is possible to prepare glasses by compacting amorphous powders by the SPS process. The SPS process may therefore enable the preparation of glasses with compositions ...

Energy Technology Data Exchange (ETDEWEB)

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

Science.gov (United States)

Two new triterpene glycosides, patagonicosides B and C (2 and 3, resp.), together with the known patagonicoside A (1), have been isolated from the EtOH extract of the sea cucumber Psolus patagonicus. The structures of the new compounds were established on the basis of extensive NMR spectroscopic analysis ((1)H- and (13)C-NMR, (1)H,(1)H-COSY, HMBC, HSQC, TOCSY, and NOESY), HR-ESI-MS data, and chemical transformations. Compounds 1-3 and their desulfated analogs showed antifungal activities against the phytopathogenic fungus Cladosporium cladosporoides in a dose-dependent fashion. PMID:21404430

International Nuclear Information System (INIS)

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

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)

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...

British Library Electronic Table of Contents (United Kingdom)

Purpose We assess the outcome in 46,XX men with congenital adrenal hyperplasia who were born with Prader 4 or 5 genitalia and assigned male gender at birth. Materials and Methods After receiving institutional review board approval and subject consent we reviewed the medical records of 12 men 35 to 69 years old with 46,XX congenital adrenal hyperplasia, of whom 6 completed social and gender issue questionnaires. Results All subjects were assigned male gender at birth, were diagnosed with virilizing congenital adrenal hyperplasia at age greater than 3 years and indicated a male gender identity with sexual orientation to females. Ten of the 12 subjects had always lived as male and 2 who were reassigned to female gender in childhood subsequently self-reassigned as male. Nine of the 12 men had ...

International Nuclear Information System (INIS)

Tris(8-quinolinolato)aluminum(III) (Alq3) shows electronic absorption bands at 378, 360 (in a 1:1 mixed solvent of methanol and ethanol (ME) at 77 K), 334, 316, 300, 263, 255.8, and 233 nm in ethanol at room temperature. According to the polarized fluorescence excitation spectrum together with MO calculations, for instance, the 360 nm band is assigned to an LL CT transition (an intramolecular charge transfer transition between two ligands), and the 378 nm band to an LM/ML CT one (an intramolecular charge transfer transition between ligand and metal). Alq3 shows a broad fluorescence band peaking at around 478 nm in the ME matrix at 77 K. The emission spectrum measured with a phosphoroscope has two emission bands at 567 and 478 nm. The 567 nm band accompanies vibronic bands at 578 and 605 nm, being safely assigned to a phosphorescence of Alq3. The lifetimes of the 478 and 567 nm bands are both 5.4 ms. The lifetime of the 478 nm band together with ...

Energy Technology Data Exchange (ETDEWEB)

The establishment of the domestic market in Europe requires rules for the assignment of orders, with which a standardization of the rules of competition can be achieved and with which a discrimination of individual bidders can be prevented. Clients and contractors of power station equipments equally are affected by the definitions for the assignment of orders. The contribution under consideration is a regulation for the procurement of steam turbine systems. It is a supplement of the European standard DIN EN 45510:1998. The regulation integrates the former terms of delivery of association of the electricity industry (VDEW) for steam turbines as well as the collection and evaluation of a multiplicity of experiences of the VGB regulations.

British Library Electronic Table of Contents (United Kingdom)

Certified reference materials (CRMs) play a critical role in validating the accuracy of nutrient data for food samples. A number of available food CRMs of differing matrix composition have assigned concentrations for various nutrients, along with associated uncertainty intervals (UIs) for those values. These CRMs have been used extensively in the United States Department of Agriculture?s (USDA) ongoing National Food and Nutrient Analysis Program (NFNAP) to monitor the accuracy of assays of key foods and nutrients consumed in the United States. A total of 690 assigned values for individual nutrients, including proximates, vitamins, macroelements, microelements, fatty acids, amino acids, and selected phytochemicals (e.g., carotenoids), were compiled from the certificates of analysis for 63 C...

International Nuclear Information System (INIS)

The decay of "1"0"1Mo to levels in "1"0"1Tc has been studied using the three-parameter (#gamma#-#gamma#-t) coincidence system of HpGe-HpGe detectors. From the coincidence data, the new decay scheme was constructed. The previously reported 104.70, 105.95 and 774.15 keV #gamma# rays were observed, and have been assigned to the decay scheme for the first time. A newly observed 1508.01 keV #gamma# ray has also been assigned to the scheme for the first time. The intensities of #beta#"- and the values of log ft to most levels were calculated

International Nuclear Information System (INIS)

A large portion of the work performed at nuclear power plants follows standardized flow paths. For example, although components on which the maintenance crew works differ from one assignment to the next, all assignments basically follow the same process: requesting, reviewing, planning, scheduling, executing, testing, and documenting the work. In general, the term open-quotes work processclose quotes is used to refer to a standardized sequence of tasks designed within the operational environment of an organization to achieve a specific goal. The predictable nature of work processes suggests that a systematic analysis can be conducted to identify the desirable design of the process and to develop performance measures with respect to the strengths and weaknesses in the process. Furthermore, because of the close relationship of the work process to plant performance and plant safety, it is believed that such an analysis will facilitate the ...

International Nuclear Information System (INIS)

Excited states in the T_z=(1/2) nucleus "8"5Mo have been observed for the first time with the reaction "5"8Ni("3"2S,#alpha#n#gamma#) at 105 MeV. #gamma#-ray transitions in this nucleus have been assigned unambiguously by combining the information from the GASP #gamma#-ray array, the ISIS silicon ball, and the n-Ring neutron detector. Two band structures have been observed in this nucleus; they continue the smooth evolution of the known bands from the lighter N=43 isotones and have been tentatively assigned spins and parity on this basis. After reaching a maximum of collectivity at "8"3Zr, the trend with increasing mass is reversed, showing a smaller collectivity at "8"5Mo. The rotational behavior of the observed bands is discussed on the basis of the projected shell model calculations.

DEFF Research Database (Denmark)

Wharton's jelly contains large amounts of hyaluronic acid, and glucosamine is an important constituent of this macromolecule. In order to evaluate the placental vascular effects of this aminosugar, small chorionic and stem villous arteries were dissected from placental specimens obtained at normal term vaginal deliveries (n = 15). Ring preparations were mounted in organ baths, and isometric wall tensions were measured. Glucosamine and its epimer galactosamine (5 X 10(-4) to 10(-2) M) produced marked relaxation of contractions induced by PGF2 alpha (10(-5) M) in both chorionic and stem villous arteries. The effect was unchanged after pretreatment with atropin, propranolol and indomethacin. The relaxant effect of the neutral sugar mannose was less pronounced compared with that of the hexosamines. Total tissue concentrations of placental hexosamines have been reported within the range needed to produce placental vascular relaxation in the present ...

International Nuclear Information System (INIS)

Purpose: To describe CT appearances in patients with unilateral cleft lip and palate (CLP) 20 years after bone graft surgery. Material and Methods: Eighteen consecutive patients with unilateral CLP were examined. All patients had been treated with primary closure, both in infancy and early childhood, supplemented with bone grafting at the age of around 10 years. The CT examination of the upper jaw included a dental CT program. The CT appearances of the cleft side were compared with those of the untreated non-cleft side. Results: Abnormal CT appearances included skew nasal aperture (n=17), nasal septal deviation (n=17), low floor of nasal aperture (n=15) at or towards the cleft side, and deviation of anterior nasal spine towards the non-cleft side (n=18). The posterior part of the bone cleft was visible in all patients, and the dental arch was V-shaped in 8. Conclusion: Although adherence to the present treatment protocol is considered to give ...

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

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 ...

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

UK PubMed Central (United Kingdom)

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

UK PubMed Central (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

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 spectra were strongly ...

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)

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 ...

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High-spin states in {sup 202}Pb and {sup 203}Pb have been investigated by in-beam {gamma}-ray spectroscopy following the reaction {sup 198}Pt({sup 9}Be,xn). A search for magnetic rotational bands in these isotopes confirmed one of the two bands previously assigned to {sup 202}Pb and revealed a new band in this isotope. No evidence for magnetic rotation has been found in {sup 203}Pb. (orig.)

Energy Technology Data Exchange (ETDEWEB)

A generalized method for the design of excitation control or a power system stabilizer (PSS) based on complex frequency is described. The method selects PSS parameters such that exact assignment of eigenvalues associated with the mechanical modes of oscillation to desired locations is achieved. Numerical examples are used to illustrate the concepts of the proposed new technique.

Science.gov (United States)

In 1987, the U.S. Congress assigned the Secretary of Defense the job of determining requirements for and managing the National Defense Stockpile (NDS) of 'strategic and critical' non-fuel materials (S&CMs). Since then, the Institute for Defense Analyses (...

Science.gov (United States)

Today you will learn about the parts of DNA and what DNA, genes and chromosomes are. Today you will learn what DNA, genes and chromosomes are and the parts of the DNA molecule. Look at all of the websites, take whatever notes you need to. At the end of the assignment, be able to describle DNA, the parts of DNA, genes and chromosomes. Covers Biology Core Curriculum, ...

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 ...

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.

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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 ...

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The pozzolanic behaviour of compound-activated red mud-coal gangue has been investigated through TG, DTA, XRD, FTIR and {sup 27}Al 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 Ca{sub 3}Al{sub 2}O{sub 6} center dot xH{sub 2}O. From TG analysis results, it is thought that the high amount of Ca(OH){sub 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. {sup 27}Al MAS NMR proved to be an effective technique to obtain valuable ...

British Library Electronic Table of Contents (United Kingdom)

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

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)

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

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

Energy Technology Data Exchange (ETDEWEB)

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

Science.gov (United States)

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

Science.gov (United States)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

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

Energy Technology Data Exchange (ETDEWEB)

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

Science.gov (United States)

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

International Nuclear Information System (INIS)

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

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 ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

The decay of "1"0"1Mo to levels in "1"0"1Tc has been studied using the three-parameter (#gamma#-#gamma#-t) coincidence system of HpGe-HpGe detectors. According to the coincidence data, the decay scheme was modified. The positions of 221.80, 318.00, 377.90, 452.50, 515.42, 1011.05 and 1759.72 keV transitions have been arranged again, the transition positions of 104.70, 105.95 and 774.15 keV gamma-rays have been assigned for the first time, the positions of 169.00, 590.91, 980.52 and 1431.68 keV transitions have been reconfirmed, the 1508.01 keV gamma-ray was observed simultaneously for the first time and its transition position has been assigned. The #beta#-intensities and the values of log ft of most levels were calculated. (author)

International Nuclear Information System (INIS)

The Yb"3"+-doped non-linear rare-earth calcium oxoborate crystals GdCa_4O (BO_3)_3 (GdCOB) and YCa_4O(BO_3)_3 (YCOB) were investigated by low-temperature absorption and selective excitation spectroscopy. The selective excitation and emission spectra revealed the spectral features of the main Yb"3"+ centre and the principal minority one in both crystals. The energy level schemes for these centres in both hosts, as well as structural assignments, were proposed. It was established that the minority centre, which represents about 10% of the total intensity and was assigned to Yb"3"+ in a Ca"2"+ site, is not a trap but an energy donor for the main centre. Common features of and differences between the vibronic structure of the two centres in GdCOB and YCOB are discussed. The existence of additional features in YCOB:Yb spectra is pointed out. (author)

Energy Technology Data Exchange (ETDEWEB)

Radixin is a cytoskeletal protein that may be important in linking actin to the plasma membrane. Recent cloning of the murine and porcine radixin cDNAs revealed a protein highly homologous to ezrin and moesin. The authors have cloned and sequenced the human radixin cDNA and found the predicted amino acid sequence for the human protein to be nearly identical to those predicted for radixin in the two other species. By Southern analyses of Chinese hamster x human somatic cell hybrid DNA and of PCR products derived from hybrids, the coding gene (RDX) was mapped to 11q. Fluorescence chromosomal in situ hybridization with a cDNA plasmid further localized this gene to band 11q23. However, PCR amplification with [open quotes]radixin-specific[close quotes] primers on the hybrid DNA panel yielded an additional, very similar DNA sequence that was further characterized by direct sequencing of PCR products. This sequence represents a truncated version and the respective locus (RDXP2) was ...

CERN Document Server

This paper studies neighbor discovery problem in wireless networks. A novel scheme, called compressed neighbor discovery is proposed, which assigns each node a unique signature and let nodes simultaneously transmit their signatures during the discovery period. The query node then determines, based on the superposition of the signatures, a small number of nodes as its neighbors, out of a large number of nodes in the network. This is fundamentally a sparse recovery problem. Using the proposed scheme, a single frame time suffices to achieve reliable discovery for large networks. This is in contrast to conventional schemes, where each node repeatedly transmits its identity with random delay, so that a receiver can identify each neighbor at least once without collision. Two practical, low-complexity discovery schemes are studied. The first scheme assigns sparse pseudo-random on-off signatures to the nodes, so that each node can listen to the channel ...

British Library Electronic Table of Contents (United Kingdom)

Purpose - The purpose of this research is to investigate the influence of psychological contracts on the adjustment and organisational commitment of expatriates during international business assignments. The study also aims to investigate the influence of psychological barriers to expatriate adjustment. Design/methodology/approach - A unique survey questionnaire was developed to collect data from 219 Taiwanese business expatriates during the first quarter of 2007. A LISREL analysis is used to test the hypotheses of the research framework. Findings - The study finds that: perceived fulfilment of the psychological contracts of expatriates significantly influences both their adjustment to foreign situations and their organisational commitment; psychological barriers to adjustment have a negat...

International Nuclear Information System (INIS)

Neutron-rich He-, Li-, and Be-isotopes in the vicinity of the drip-line have been studied by "1"2C- and "1"4C-induced multi-nucleon transfer reactions on "1"0Be and "1"3","1"4C-targets. This study revealed unknown excited states in "8","1"0He, "1"0","1"1Li and in "1"3","1"4Be. Both excitation energies and widths have been measured. In some cases most probable spins and parities could be assigned to the particle-unstable states observed. (orig.).

Energy Technology Data Exchange (ETDEWEB)

In the present work the geometry of annular ducts with asymmetrical longitudinal fins is optimized in order to enhance the heat transfer under laminar coolant flow conditions. The heat transferred is also maximized for a given amount of material or hydraulic resistance. Polynomial profiles are assigned to the two lateral fin surfaces. Velocity and temperature distributions on the annular duct cross section are determined with the help of a finite-element model. A global heat transfer coefficient and an equivalent Nusselt number are then calculated. Lastly, optimum asymmetrical fins obtained by means of a genetic algorithm are shown for different situations and their performance is compared with those of optimum symmetrical fins.

International Nuclear Information System (INIS)

Discrepancies between the energy level schemes of "1"0"9Cd determined by radioactive decay studies and "1"1"0Cd(d, t) reaction studies were investigated by a new study of the "1"1"0Cd(d, t) reaction. Sixteen triton groups were found, J/sup pi/ assignments were made, and spectroscopic factors and fullnesses of single particle states were determined and compared with those for isotonic nuclei. The results remove or clarify all previous discrepancies.

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This document is a Maintenance Implementation Plan (MIP) for the T Plant Facility complex located in the 200 West Area of the Hanford Reservation in Washington state. This plan has been developed to provide a disciplined approach to maintenance functions and to describe how the T Plant facility will implement and comply with the regulations according to US DOE order 4330.4B, entitled Maintenance Management Program, Chapter 2.0 {open_quotes}Nuclear Facilities{close_quotes}. Physical structures, systems, processes, as well as all associated equipment specifically assigned to these groups are included in the MIP.

CERN Document Server

We provide a scenario in which a hidden U(1) gauge boson constitutes dark matter of the Universe and decays into the standard-model particles through a kinetic mixing with an $U(1)_{B-L}$ gauge boson. Interestingly, our model can naturally account for the steep rise in the positron fraction recently reported by PAMELA. Moreover, we find that due to the charge assignment of $U(1)_{B-L}$, only a small amount of antiprotons are produced in the decay, which is also consistent with the PAMELA and other observational data.

British Library Electronic Table of Contents (United Kingdom)

This paper is aimed to present a fuzzy decision making approach to deal with the performance measurement in supply chain systems. In the manufacturing environment, performance measurement is based on different quantitative and qualitative factors. Some of these factors may have a larger effect on the performance measure than others. Units of measure of the quantitative factors are different such as time, money, percentage, ratio, and counts. Thus, this paper presents a performance measurement approach based on fuzzy set theory and the pair-wise comparison of Analytical Hierarchy Process (AHP), which ensures the consistency of the designer's assignments of importance of one factor over another to find the weight of each of the manufacturing activity in the departmental organization. In the ...

Energy Technology Data Exchange (ETDEWEB)

The booklet presents general information and practical hints for the task of acquiring and evaluating the data describing investments and other expenditure and activities for pollution abatement measures taken by electric utilities. The information is intended as an aid for establishing standard criteria for assignment and evaluation, and for comparison and classification of pollution abatement measures. As a line of orientation, a catalogue of pollution control measures is given, arranged into the following sections: Fossil-fueled power plants; nuclear power plants (BWR and PWR); hydroelectric power plants; power transmission and distribution. (HSCH)

Science.gov (United States)

Conversion of the United States military to the International System of measurement units is in the very early stages. Little formal planning has been done to articulate the management required to complete the conversion of operational Army and Air Force units. For those operational forces tasked to provide continuous combat readiness throughout metrication, management problems associated with the conversion are particularly difficult because of the nature of these assigned missions. This is the case for the 82nd Airborne Division ready brigade force (DRB) and the Military Airlift Command (MAC) strategic airlift system operating the C-141 and C-5A aircraft.

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Most of the investigations have a theoretical sustenance based on molecular simulation. The area of application of molecular simulation is very wide, in the Materials Technology Department assigned to the Applied Sciences Management have been treated problems about metallic nano structures, glasses, interfaces, and molecules, to sustain and to explain some of the experimental results. Energy calculations are carried out to determine minimum energy structures, for later on to carry out calculations of some of their properties; as well as the images simulation of Electron microscopy and X-ray diffraction. (Author)

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System instability as result of high power generation of one of the largest plants of the Iranian electric power grid prevented the plant to be fully utilized. PSSs were installed on the generating units of the power station, to improve its small signal stability, and enhance the stable generation limit. Domain separation and pole assignment techniques were applied for the PSS design. Several field tests were also carried out to verify its effectiveness. This paper presents the PSS tuning procedure, including the design criteria and some of the field test results.

Science.gov (United States)

This article describes the design and implementation of an online diabetes self-management intervention for a sample of inner-city African Americans with diabetes. Study participants were randomly assigned to the treatment (26) and control (21) conditions. The results indicate that treatment group participants were more likely to achieve positive outcomes in terms of lowered hemoglobin A1c and body mass index measurements than were control group members. These findings support the development of telehealth interventions to promote effective chronic disease management in medically underserved communities.

International Nuclear Information System (INIS)

The patients studied were referred for routine abscess localization with indium-111 labelled autologous leukocytes. One series (n=15) was studied at 1 day after reinjection of labelled cells and a second series (n=9) was studied between 4 hours and 4 days after reinjection of labelled cells. The leukocytes were isolated by a gravity sedimentation method and labelled with In-111 oxinate according to Roevekamp and co-workers. The labelled cell suspension administered to the patient contained between 11 and 15 MegaBq (300-400 microCi). The indium-111 concentration in the liver and spleen was quantitated using a scintillation camera and an on-line computer system. Phantom studies were carried out to obtain conversion factors from geometric mean counts to MegaBq of activity for both liver and spleen. Once determined, the amount of activity in liver and spleen was corrected for physical decay of In-111 and expressed as a percentage of the ...

International Nuclear Information System (INIS)

To analyze the enhancement patterns and morphology of peripheral cholangiocar-cinomas (CCs), as seen on three-phase helical CT. Three-phase helical CT scans of 25 cases of 24 patients with pathologically-proven CCs were retrospectively reviewed. After intravenous administration of contrast media, scans of the hepatic arterial phase (HAP) were obtained at 30 seconds, of the portal venous phase (PVP) at 70 seconds, and of the delayed phase (DP) at 3 minutes. Linear, dense, marginal enhancement was seen in 17 CCs (68%), mainly on HAP images (64%) while thick, band-like, peripheral enhancement was seen in 18 (72%), on either PVP (52%) or DP (44%). Internal enhancement was observed in 23 CCs (92%) on PVP (68%) and/or DP (88%), and 19 CCs (76%) among them showed incomplete enhancement of stippled and/or septated patterns. Most (76%) were seen throughout all three phases to be hypoattenuating, as compared to the surrounding parenchyma. On HAP, wedge-shaped parenchymal enhancement was ...

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.

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

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

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

British Library Electronic Table of Contents (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

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

Energy Technology Data Exchange (ETDEWEB)

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

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

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

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...

British Library Electronic Table of Contents (United Kingdom)

The monoanionic bidentate Schiff base, N-(phenolyl)-benzaldimine (HL), has been employed to synthesize a new vanadium(IV) complex of general composition [VO(L)2] (where L = O, N donor of Schiff base). The ligand and complex have been fully characterized by elemental analyses, molar conductance data, FT-IR, 1H- and 13C-NMR, and UV-Vis spectroscopies. Oxidation of alcohols to their corresponding aldehydes and ketones was conducted by this complex catalyst using Oxone as oxidant under biphasic reaction conditions (CH2Cl2/H2O) and tetra-n-butylammonium bromide as phase transfer agent under air at room temperature.

Science.gov (United States)

We have been piloting web-based multimedia learning modules (MLMs), developed by the Physics Education Research Group at the University of Illinois at Urbana Champaign (UIUC), as a "prelecture assignment" in several introductory physics courses at California State Polytechnic University at Pomona. In this study, we report the results from a controlled study utilizing modules on electricity and magnetism as a part of a blended hybrid-online course. We asked students in the experimental section to view the MLMs prior to attending the face-to-face class, and to make sure this would not result in additional instructional time, we reduced the weekly class time by one-third. We found that despite reduced class time, student-learning outcomes were not hindered; in fact, the implementation of the UIUC MLMs resulted in a positive effect on student performance on conceptual tests and classroom discussion questions. (Contains 4 figures and 1 table.)

CERN Document Server

Many real-world networks are so large that we must simplify their structure before we can extract useful information about the systems they represent. As the tools for doing these simplifications proliferate within the network literature, researchers would benefit from some guidelines about which of the so-called community detection algorithms are most appropriate for the structures they are studying and the questions they are asking. Here we show that different methods highlight different aspects of a network's structure and that the the sort of information that we seek to extract about the system must guide us in our decision. For example, many community detection algorithms, including the popular modularity maximization approach, infer module assignments from an underlying model of the network formation process. However, we are not always as interested in how a system's network structure was formed, as we are in how a network's extant structure influences the ...

British Library Electronic Table of Contents (United Kingdom)

A novel difunctional acylhydrazone has been synthesized by the reaction of 5-methylisoxazole-4-carboyl hydrazine with benzaldehyde and characterized by X-ray crystallography and spectroscopy. The obtained results demonstrate the crystal belongs to triclinic, space group Formula Not Shown . Moreover, the spectroscopic properties were evaluated through density functional theory (DFT) and time-dependent density functional theory (TD DFT) calculations. The results reveal that UV-Vis absorption peaks at 194, 217.5 and 290.5nm are mainly attributed to (p, p)p*, partly (p, p)p* and partly pp*, and predominantly pp*, respectively, with intraligand charge-transfer transition (ILCT) character. The fluorescence emission peak at 485.96nm should be assigned to ILCT. In addition, the results of antibact...

British Library Electronic Table of Contents (United Kingdom)

Objectives: Evaluate the effect of diet, physical exercise, and a daily oral intake of a soy isoflavones extract (Fisiogen) contained 200mg of Glycine max, which corresponded to 80mg of isoflavone (60.8mg of genistein, 16mg of daidzein and 3.2mg of glicitein) on leptin and other adipokines plasma levels in healthy obese postmenopausal women. Methods: A multicentric randomized longitudinal prospective cohort study was conducted in a sample of 87 healthy obese postmenopausal women. Patients were randomly assigned to a 1200kcal diet and exercise group (control group) or a group of 1200kcal diet, exercise, and daily oral intake of daily oral intake of a soy isoflavones extract (Fisiogen) contained 200mg of Glycine max, which corresponded to 80mg of isoflavone (60.8mg of genistein, 16mg of daid...

International Nuclear Information System (INIS)

After the publication of the 2nd progress report of geological disposal of TRU waste in Japan, policy and general scheme of future study for the waste disposal in Japan was published by ANRE and JAEA. This annual report summarized aim and progress of individual problem, which was assigned into JAEA in the published policy and general scheme. The problems are as follows; characteristics of TRU waste and its geologic disposal, treatment and waste production, quality control and inspection methodology for waste, mechanical analysis of near-field, data acquisition and preparation on radionuclides migration, cementitious material transition, bentonite and rock alteration in alkaline solution, nitrate effect, performance assessment of the disposal system and decomposition of nitrate as an alternative technology. (author)

British Library Electronic Table of Contents (United Kingdom)

ABSTRACT Aim The study aimed to test simultaneously our understanding of the effects of bupropion sustained-release (SR) treatment on putative mediators and our understanding of determinants of post-quit abstinence, including withdrawal distress, cigarette craving, positive affect and subjective reactions to cigarettes smoked during a lapse. The specificity of bupropion SR effects was also tested in exploratory analyses. Design Data from a randomized, placebo-controlled clinical trial of bupropion SR were submitted to mediation analyses. Setting Center for Tobacco Research and Intervention, Madison, WI, USA. Participants A total of 403 adult, daily smokers without contraindications to bupropion SR use. Intervention Participants were assigned randomly to receive a 9-week course of bupropion...

Energy Technology Data Exchange (ETDEWEB)

A high pressure piezometer is described with which pVT-measurements on solutions of gases in liquids like oils can be performed at pressures and temperatures up to 2000 bar and 440 K, respectively. The present investigations deal mainly with the system squalaneCO/sub 2/ at different mole fractions, but also with squalaneN/sub 2/. The high accuracy of the measurements reveals a pronounced structure of the pV-curves in dependence on temperature and mole fraction. At larger mole fractions is the unequivocal assignment of the phases ambiguous, and the representation of the experimental data in terms of an equation of state not possible for the whole pressure and temperature range. However, for solutions with lower mole fractions could be determined the saturation pressures and the isothermal compressibility in the unsaturated region. Furthermore, the molar excess volumes of the mixture have been calculated and the phase behaviour has been discussed briefly. (orig.)

British Library Electronic Table of Contents (United Kingdom)

N-doped TiO2 has been prepared by use of sol?gel systems containing titanium alkoxide, with nitric acid as the nitrogen source. The time needed for gelation of the systems was drastically reduced by ultrasonic irradiation. The peaks assigned to the nitrate and nitrous ions were observed by FT-IR measurement during the sol?gel reaction. The N-doping was confirmed by the observation of N?O peaks in the XPS spectrum of the sample heated at 400??C. The nitrate ion acted as an oxidizer of the ethanol solvent and titanium species. The TiO2 became doped with nitrogen oxide species as a result of reduction of nitrate ion incorporated into the dried gel samples. These results indicated that the added nitric acid was reduced during the sol?gel transition and heating process, and the resulting NO spe...

British Library Electronic Table of Contents (United Kingdom)

The Real-Time Specification for Java (RTSJ) is silent on multiprocessor issues. It attempts not to preclude multiprocessor implementations but provides no direct support. Many areas of the RTSJ leave an implementation considerable freedom on how it provides the defined functionality. One such area is the asynchronous event handling (AEH) model. Events are fired and associated handlers are scheduled for execution in response; handlers have defined scheduling parameters and deadlines. The primary goal of the AEH model is to support a lightweight real-time concurrency model. Hence handlers, in general, do not have dedicated threads. Rather, the implementation is responsible for ensuring that all handlers meet their deadlines. Typically real-time threads are assigned to execute handlers by the...

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We report localization of the human cone transducin (GNAT2) gene using fluorescence in situ hybridization on chromosome 1 in band p13. The recent assignment of a gene for Stargardt disease to the same chromosomal region by linkage analysis prompted us to investigate the possible role of GNAT2 in the pathogenesis of this disease. We investigated 66 unrelated patients for mutations in the coding region of the GNAT2 gene using polymerase chain reaction-single strand conformation polymorphism analysis (SSCP) and direct sequencing. No disease-specific mutations were found, indicating that GNAT2 is probably not involved in the pathogenesis of most cases of Stargardt disease. 19 refs., 1 fig., 1 tab.

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A 4.0 kb TaqI fragment of cosmid EFD64 isolated by a HBV-3 oligonucleotide was subcloned into AccI site of pUC18. MspI identifies 5 allelic VNTR polymorphism with bands between 2.6 and 4.6 kb. RsaI, TaqI, EcoRI, BamHI, HindIII and PvuII identify the same VNTR polymorphism. With RsaI, 80% heterozygosity were observed in 80 unrelated Caucasians. This RFLP pEFD64.2 has been assigned to chromosome 3 by linkage analysis with loci (APOD) known to span this chromosome. Co-dominant segregation for the RsaI RFLP was observed in 40 three generation families. RFLPs were observed under the normal hybridization and washing condition.

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

The resonant scattering of bremsstrahlung #gamma#-rays by a SrCO_3 target has been studied for #gamma#-ray energies of 5-11 MeV. Six #gamma#-transitions of energies between 6-8 MeV, which indicate six resonant states in "8"8Sr, were observed. The relative intensities of the resonantly scattered #gamma#-rays at 125 and 150"0 were found to be compatible only with the assignment of spin 1 to the six states. Radiative widths of the resonant states were deduced. The possibility that these states are components of the giant M1 resonance in "8"8Sr is discussed. (orig.).

British Library Electronic Table of Contents (United Kingdom)

Clin. Otolaryngol. 2009, 34, 438-446. Objective: To determine whether economic costs associated with a conservative management strategy for unilateral acoustic neuroma offer an economic advantage over active management options. Design: Cost and sensitivity analysis on a prospective cohort. Setting: Single centre study within a tertiary referral centre in Toronto, Canada. Participants: 72 patients (32 males, 40 females) aged 36 to 78 years with unilateral acoustic neuroma were assigned initially to a conservative management strategy. Entry criteria were small tumour size (less than 15mm in the cerebellopontine angle), patient preference and/or significant co-morbidity. Interventions: MRI scanning was performed every 6 months for the first year, annually subsequently and then every 2-3 years...

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The intrinsic energy levels in the doubly odd isotopes of Np with mass number 238 and of Am with mass numbers 240, 242 and 244 are calculated using the zero-range neutron-proton residual interaction whose parameters are evaluated using the atomic masses and the ground state Gallagher-Moszkowski splitting energy in each case. A configuration dependence of the residual interaction is in evidence in several cases. The results are compared with the experimental data and the comparison is used to check on the two-particle configuration assignments to the intrinsic states in the respective spectra. Encouraged by the nature and the degree of the agreement of the theory with the available experimental data, predictions are made about the expected location of the as yet unobserved two-quasiparticle states in these nuclei.

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AbstractBackground: So far, infliximab (IFX) therapy for the treatment of Crohn's disease (CD) has generally been guided by clinical symptoms. Data on treatment response as ascertained by endoscopy in IFX therapy are scarce. The aims of this study were to measure the endoscopic response rate during IFX induction and maintenance therapy in luminal CD, and also evaluate the role of endoscopy in monitoring IFX therapy. Methods: Data obtained from 71 patients with active luminal CD and treated with IFX were analyzed retrospectively. The endoscopy findings were scored according to mucosal activity as: 0 (remission), 1-2 (mild), 3-4 (moderate), and 5-6 (severe). A positive endoscopic response was determined by a decrease in score of at least two points and mucosal healing was assigned a score of...

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Summary Background There is a need for new artemisinin-based combination therapies that are convenient, effective, and safe. We compared the efficacy and safety of pyronaridine-artesunate with that of artemether-lumefantrine for treatment of uncomplicated P falciparum malaria. Methods This phase 3, parallel-group, double-blind, randomised, non-inferiority trial was undertaken in seven sites in Africa and three sites in southeast Asia. In a double-dummy design, patients aged 3-60 years with uncomplicated P falciparum malaria were randomly assigned in a 2:1 ratio to receive pyronaridine-artesunate once a day or artemether-lumefantrine twice a day, orally for 3 days, plus respective placebo. Randomisation was done by computer-generated randomisation sequence in blocks of nine by study centre....

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During sporting events, injured athletes often return to competition after icing because of the reduction in pain. Although some controversy exists, several studies suggest that cryotherapy causes a decrease in muscle activity, which may lead to a higher risk of injury upon return to play. The purpose of this study was to investigate the effect of a 20-min knee joint cryotherapy application on the electromyographic activity of leg muscles during a single-leg drop jump in twenty healthy subjects, randomly assigned to an experimental and a control group. After the pre-tests, a crushed-ice bag was applied to the knee joint of the experimental group subjects for 20min, while the control group subjects rested for 20min. All subjects were retested immediately after this period and retested again...

International Nuclear Information System (INIS)

The activities "1"0"1Mo and "1"0"1Tc produced from neutron capture by natural Mo were chemically separated and studied using Ge(Li) #gamma#-ray detectors. Out of 185 transitions observed in the decay of "1"0"1Mo, 170 were assigned to 44 excited levels in "1"0"1Tc. For the decay of "1"0"1Tc, 26 of 27 transitions were placed among 10 excited levels in "1"0"1Ru. The interpretation of the "1"0"1Tc level scheme using the shell-model approach is not satisfactory even for a five-particle calculation. Systematics of odd-A level structures in the region of A=101 indicate that the level structure of "1"0"1Tc could be due partly to the onset of collective effects.

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The Formula Not Shown system of Formula Not Shown was first observed in auroral emissions by Meinel in 1950. Although the Formula Not Shown band system has been reinvestigated since this first spectral study, no laboratory spectrum of the (2,1) vibronic band has been obtained. We have recently built a continuous-wave cavity ringdown spectrometer, and as a first test of this spectrometer we observed the (2,1) band of Formula Not Shown in a positive column discharge cell. Many lines of the first positive band system of Formula Not Shown were also identified during the process of assigning this spectrum. The relative intensities of the Formula Not Shown and Formula Not Shown bands were found to change with discharge cell pressure, and so each spectral region was observed at two pressures to a...

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The N{sub 1s} XPS band of pyridine chemisorbed on Al-ZSM-5 zeolite was found to be properly deconvoluted into three component peaks. In a previous contribution these three components were assigned to pyridine chemisorbed on two kinds of Bronsted acid sites and one Lewis acid site. This analysis is extended here to Fe-ZSM-5 and B-ZSM-5. Isomorphous substitution of Fe for Si or Al in the zeolite framework leads to a slight decrease in the binding energy of the N{sub 1s} Lewis component. In the case of B substitution a decrease in the binding energy of all three N{sub 1s} components is observed.

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Spatial skills are a central component of intellect and show marked individual differences. There is evidence that variations in the spatial language young children hear, which directs their attention to important aspects of the spatial environment, may be one of the mechanisms that contributes to these differences. To investigate how play affects variations in language, parents and children were assigned to 1 of 3 conditions: free play with blocks, guided play, or play with preassembled structures (Study 1). Parents in the guided play condition produced significantly higher proportions of spatial talk than parents in the other two conditions, and children in the guided play condition produced significantly more spatial talk than those in the free play condition. Study 2 established baseli...

International Nuclear Information System (INIS)

The level structure of "2"1"2Bi has been studied by observing the alpha decay of "2"1"6At which is in secular equilibrium with "2"2"0Fr and "2"2"4Ac. Eight states are observed and tentatively assigned to the configuration #pi#h_9_/_2#nu#(g_9_/_2)"3 and three to the configuration #pi#h_9_/_2#nu#(g_9_/_2)"2i_1_1_/_2. These two lowest configurations in "2"1"2Bi are compared with the corresponding configurations in "2"1"0Bi and the calculations of Warburton.

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This paper presents a new mathematical model for designing distribution networks in a supply chain system considering service level constraint optimizing strategic decisions (location), tactical decisions (inventory), and assigning decisions. In real-world cases, demand, traveling time or any parameters in classical models may change over the period of time. So, considering uncertainty yields more flexibility for the results and the proposed model. In our study, environmental uncertainty is described by discrete scenarios. In this model, we have service level constraint in order to prevent inventory lost in distribution centers (DCs). Also, we assume that customer's demand is stochastic with Poisson distribution function and DCs have coverage radius constraints thus any DC cannot service a...

CERN Document Server

This paper gives a concise overview of evolutionary algorithms for multiobjective optimization. A substantial number of evolutionary computation methods for multiobjective problem solving has been proposed so far, and an attempt of unifying existing approaches is here presented. Based on a fine-grained decomposition and following the main issues of fitness assignment, diversity preservation and elitism, a conceptual global model is proposed and is validated by regarding a number of state-of-the-art algorithms as simple variants of the same structure. The presented model is then incorporated into a general-purpose software framework dedicated to the design and the implementation of evolutionary multiobjective optimization techniques: ParadisEO-MOEO. This package has proven its validity and flexibility by enabling the resolution of many real-world and hard multiobjective optimization problems.

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

Science.gov (United States)

The 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 ...

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

The fundamentals and the technical application methods of the imaging procedures are discussed in detail with regard to their application in medicine. The development of the X-ray contrast media has led to a better tolerance and a significant reduction of risks. Problems relating to radiation protection and radiation exposure are discussed critically. The general point gives an overview of the radiological examination methods and is meant to deepen the understanding of the special techniques and their rationally determined application. The following special part deals with diagnosing of organs in the region of the neck and the thorax. The general basis is the conventional radiological examination. The great increase in information achieved by means of the new imaging methods becomes clear if we look at the diagnostics of the soft tissue of the neck. Computerized tomography and NMR imaging open the view at the fine structures of the mediastinum. Mammography is an ...

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A series of pentaamminerhodium(III) complexes, Rh(NH/sub 3/)/sub 5/Z/sup n+/, has been prepared with 80% enrichment in /sup 15/N (Z = H/sub 2/O, OH/sup /minus//, Cl/sup /minus//, Br/sup /minus//, I/sup /minus//, NH/sub 3/, /minus/ONO/sup /minus//, /minus/NO/sub 2//sup /minus//, /minus/NCS/sup /minus//, /minus/SCN/sup /minus//, /minus/NCO/sup /minus//, CN/sup /minus//). The /sup 1/H-decoupled /sup 15/N NMR spectra show two doublets (from coupling to /sup 103/Rh) with approximate intensity ratio 4:1. /delta//sub N/ and /sup 1/J(rh-N) are sensitive to Z, especially for the unique amine trans to Z. Good correlations exist between /delta//sub N/ in this series of /delta//sub N/ in this series and /delta//sub N/ in the corresponding cobalt(III) complexes Co(NH/sub 3/)/sub 5/Z/sup n+/ and platinum(II) complexes Pt(NH/sub 3/)/sub 3/Z/sup m+/, J(Rh-N) trans to Z also correlates well with H(Pt-N) trans to Z in the platinum series. 16 refs., 2 figs., 1 tab.

Science.gov (United States)

We briefly reviewed and summarized the experimental study on {beta}-delayed proton decays published by our group over the last 8 years, namely the experimental observation of {beta}-delayed proton decays of nine new nuclides in the rare-earth region near the proton drip line and five nuclides in the mass 90 region with N{approx}Z by utilizing the p-{gamma} coincidence technique in combination with a He-jet tape transport system. In addition, important technical details of the experiments were provided. The experimental results were compared to the theoretical predictions of some nuclear models, resulting in the following conclusions. (1) The experimental half-lives for {sup 85}Mo, {sup 92}Rh, as well as the predicted 'waiting point' nuclei {sup 89}Ru and {sup 93}Pd were 5-10 times longer than the macroscopic-microscopic model predictions of Moeller et al. [At. Data Nucl. Data Tables 66,131(1997)]. These data considerably influenced the predictions of the mass ...

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The ortho-metalated Pt(II) complexes Pt(ppy)(CO)Cl (1), Pt(ptpy)(CO)Cl (2), and Pt(ppy)(Hppy)Cl (3) (where ppy and ptpy are respectively the ortho-C-deprotonated forms of 2-phenylpyridine and 2-p-tolylpyridine and Hppy is 2-phenylpyridine) have been prepared. The CO ligand is coordinated trans to the nitrogen atom of the ortho-metalated ligand and exerts a strong trans effect resulting in a relatively long Pt-N bond [2.114(19) {angstrom}]. This structure shows both the bidentate ppy ligand and the monodentate Hppy with the nitrogens of these ligands trans to each other. The UV/vis electronic absorption spectra of 1-3 have intense bands in the near-UV region ({approximately}375 nm) which have been assigned as metal to ligand charge transfer (MLCT) transitions, and higher energy bands were assigned as ligand-centered transitions. Each complex exhibits relatively long-lived structured emissions in the solid state at ambient temperature and at 77 K ...

International Nuclear Information System (INIS)

The utility of recording Raman spectroscopy under liquid nitrogen, a technique we call Raman Under Nitrogen (RUN), is demonstrated for ferrocene, uranocene and thorocene. Using RUN, low temperature (liquid nitrogen cooled) Raman spectra for these compounds exhibit higher resolution than previous studies and new vibrational features are reported. The first Raman spectra of crystalline uranocene at 77 K are reported using excitation from argon (5145 ) and krypton (6764 ) ion lasers. The spectra obtained showed bands corresponding to vibrational transitions at 212, 236, 259, 379, 753, 897, 1500, and 3042 cm-1 , assigned to ring-metal-ring stretching, ring-metal tilting, out-of-plane CCC bending, in-plane CCC bending, ring-breathing, C-H bending, CC stretching and CH stretching, respectively. The assigned vibrational bands are compared to those of uranocene in THF and thorocene. All vibrational frequencies of the ligands, except the 259 cm-1 ...

International Nuclear Information System (INIS)

A rat thyrotropin (thyroid-stimulating hormone, TSH) receptor cDNA was isolated that encoded a protein of 764 amino acids, M_r 86,528. Transfection of the cDNA caused COS-7 cells to develop a TSH-sensitive adenylate cyclase response and the ability to bind "1"2"5I-labeled TSH; both activities were similar to those of rat FRTL-5 thyroid cells and not duplicated by lutropin. The gene represented by the cDNA was assigned to mouse chromosome 12 and human chromosome 14. Northern analyses identified two species of mRNA, 5.6 and 3.3 kilobases, in FRTL-5 thyroid cells; the transcripts appeared to differ only in the extent of their 3' noncoding sequences. There were minimal amounts of the two mRNAs in rat ovary, and neither was detected in RNA preparations from rat testis, liver, lung, brain, spleen, and FRT thyroid cells, which do not have a functional TSH receptor. TSH decreased both mRNA species 3- to 4-fold within 8 hr in FRTL-5 thyroid cells; down-regulation was ...

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The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a ...

International Nuclear Information System (INIS)

We briefly reviewed and summarized the experimental study on #beta#-delayed proton decays published by our group over the last 8 years, namely the experimental observation of #beta#-delayed proton decays of nine new nuclides in the rare-earth region near the proton drip line and five nuclides in the mass 90 region with N#approx#Z by utilizing the p-#gamma# coincidence technique in combination with a He-jet tape transport system. In addition, important technical details of the experiments were provided. The experimental results were compared to the theoretical predictions of some nuclear models, resulting in the following conclusions. (1) The experimental half-lives for "8"5Mo, "9"2Rh, as well as the predicted 'waiting point' nuclei "8"9Ru and "9"3Pd were 5-10 times longer than the macroscopic-microscopic model predictions of Moeller et al. [At. Data Nucl. Data Tables 66,131(1997)]. These data considerably influenced the predictions of the mass abundances of the nuclides produced in the ...

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The synthesis of (1',3'-{sup 3}H)4-(4'-azido-5',6',7',8'-tetrahydro-5'5'8',8'-tetramethyl-2'-anthracenyl)benzoic acid is described. This retinoid was designed as a photoaffinity probe of the receptor sites of cellular retinoic acid-binding protein and the nuclear retinoic acid receptor protein. The ({sup 3}H)azidoretinoid was prepared from 1,2,3,4-tetrahydro-1,1,4,4-tetra-methyl-7-(4-methylphenyl)-5-nitroanthracene in five steps in 15% yield (89% radiochemical purity by HPLC). {sup 1}H and {sup 3}H NMR was used to confirm the sites of {sup 3}H substitution on the ring. (author).

International Nuclear Information System (INIS)

The interaction of the herbicide paraquat dichloride (P Q, substrate) with p-tert-butylcalix arenas (L, receptor) was investigated in both the solution and solid states. The isolated paraquat calixarene complexes were characterised by UV-visible, 1H NMR, ESI-Ms, Luminescence and IR spectroscopies and elemental analysis. The stoichiometry of complexes 1 and 2 was 1:1 (1 herbicide: 1 calixarene) and both revealed a biexponential luminescence decay with lifetimes depending on the size and the conformational particularity of the calixarenes. Molecular modelling suggested that both calixarenes interact with the herbicide through cation-? interaction. P Q in included in the p-tert butylcalix a rene cavity, a situation favoured by its pinched conformation in polar solvent while it is partially included in the p-tert butylcalix a rene cavity because of its in-out cone conformation. The theoretical results, in particular using Mopac procedures, were in agreement with the ...

Science.gov (United States)

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

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A series of (diamine)isopropylidenmalonatoplatinum(II) complexes and the oxidation products, (diamine)Pt(OOC){sub 2}C=C(CH{sub 3}){sub 2}(X){sub 2}, (diamine=ethylenediamine(en), 1,2-diaminopropan(dap), N-methylethylenediamine(men); X=OH, OCOCH{sub 3}, OCOCF{sub 3}), have been prepared, and their interaction with guanosine-5'-monophosphate (5'-GMP) have been examined by means of {sup 1}H NMR spectroscopy. The present platinum(II) complexes have shown to interact with 5'-GMP through N7 coordination in two consecutive steps in a similar way as with cisplatin, but no interaction between the present platinum(IV) complexes and 5'-GMP was observed. However, in the presence of ascorbic acid, the platinum(IV) complexes have been found to interest with 5'-GMP with the reation rate depending on their reduction rate.

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

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