UK PubMed Central (United Kingdom)

Alkyl halides react rapidly with purines and pyrimidines in the presence of fluoride ion. Alkylation of thymidine leads to novel dimeric nucleoside derivatives bridged through N3. Alkylation of thymidine...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Disclosed are additives for hydrocarbon fuels which are the reaction products of a polyamine and an alkyl ester of acrylic or alkyl acrylic acid. A preferred composition is a mixture of the reaction product and oxygenated or non-oxygenated mono- or polyamines.

UK PubMed Central (United Kingdom)

C₁₄, C₁₅, and C₁₆ alkyl nitriles, and C₁₆ and C₁₈ alkyl acetylenes at 10 to 105 micromolar concentrations promote the growth of stem sections from...Full Text Available

International Nuclear Information System (INIS)

Ultrathin solid polymer electrolyte membranes containing sulfonic ester groups were prepared by polymerization of methyl benzenesulfonate and octamethylcyclotetrasiloxane in a glow discharge plasma. The sulfonic ester groups of the plasma polymer were transformed to lithium sulfonate groups by treatment with lithium iodide. Hybridization of this plasma polymer containing the lithium sulfonate groups with poly(ethylene oxide) (average Mw 300) resulted in the formation of a single lithium ion conductive film. The hybrid polymer electrolyte films were about 1 #mu#m thick, pinhole-free, adherent to various substrates, and showed ionic conductivities at 60 degrees C of the order of 10"- "6 S cm"- "1 (10"2 #OMEGA# cm"2 resistance per unit area of as-prepared solid polymer electrolyte). This material shows promise for electrochemical applications such as all solid-state lithium batteries, sensors, and electrochemical display devices.

International Nuclear Information System (INIS)

This patent describes a radioiodinated benzodiazepine derivative. It comprises a lower alkyl group with 1-4 C-atoms and a radioactive iodine.

KoreaScience (Korea)

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Energy Technology Data Exchange (ETDEWEB)

The trend towards more effective use of fossil fuels and reduced environmental pollution represents a major task of improvement within the refinery processes. The highly isomerized and high octane paraffins produced from isobutane and light olefins by alkylation fulfill all the requirements for reformulated gasoline. This doctoral thesis discusses new catalyst systems because of their potential in alkylation. A slurry reactor apparatus for solid-acid catalysed isobutane/butene alkylation was developed and used to investigate the performance of various heterogeneous catalysts. The selected materials were mainly zeolite types with faujasite structures. The samples were characterized by various methods before alkylation. In general, the order of decreasing catalyst activity after 3 h of reaction at 80{sup o}C was found to be: H-EMT >> H-FAU, dealuminated H-FAU >> NS.500, TA-Y, CeY-98 > ...

Science.gov (United States)

High-level ab initio calculations have been performed on the exo and endo isomers of gas-phase

British Library Electronic Table of Contents (United Kingdom)

In this study acrylonitrile-butadiene-styrene (ABS) terpolymer was reinforced with HNO3-treated short carbon fibers (HCFs). The effects of HCF concentration on the tensile properties of the composites were examined. Increasing the HCF concentration in the ABS matrix from 10 wt% to 30 wt% resulted in improved tensile strength and tensile modulus. To obtain a strong interaction at the interface, polyamide-6 (PA6) at varying concentrations was introduced into the ABS/10 wt% HCF composite. The incorporation and increasing amount of PA6 in the composites increased tensile properties of the ABS/PA6/HCF systems due to the improved adhesion at the interface, which was confirmed by the ratio of tensile strength as an adhesion parameter. These results were also supported by scanning electron microgr...

Science.gov (United States)

An enantiocontrolled route to aziridinomitosenes had been developed from l-serine methyl ester hydrochloride. The tetracyclic target ring system was assembled by an internal azomethine ylide cycloaddition reaction based on silver ion-assisted intramolecular oxazole alkylation and cyanide-induced ylide generation via a labile oxazoline intermediate (62 to 66). Other key steps include reductive detritylation of 26, methylation of the N-H aziridine 56, oxidation of the sensitive cyclohexenedione 68 to quinone 70, and carbamoylation using Fmoc-NCO. Although the aziridinomitosene tetracycle is sensitive, a range of protecting group manipulations and redox chemistry can be performed if suitable precautions are taken. A study of DNA alkylation by the first C-6,C-7-unsubstituted aziridinomitosene 11a has been carried out, and evidence for DNA cross-link formation involving nucleophilic addition to the quinone subunit is described. PMID:14677970

British Library Electronic Table of Contents (United Kingdom)

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

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This paper presents fundamental researches based on the electronic structure calculations and X absorption spectroscopy, allowing the knowledge on nuclear fuels at an atomic scale. They bring a better understanding of these material behavior to accurate the macroscopic simulation. The calculation methods, the experimental techniques of validation and the ab initio calculations results are detailed. (A.L.B.)

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International Nuclear Information System (INIS)

The detection and quantification of defined reaction products of chemical mutagens and carcinogens (and of many cancer chemotherapeutic agents) with DNA require highly sensitive analytical techniques. The exceptional capability of immunoglobulins to recognize subtle alterations of molecular structure (especially when monoclonal antibodies are used to maximize specificity), outstanding sensitivity of immunoanalysis by high-affinity antibodies, and the fact that radioactively-labelled agents are not required suggest the utility of a radioimmunoassay to recognize and quantitate alkylated DNA products. We have recently developed a set of high-affinity monoclonal antibodies (secreted by mouse x mouse as well as by rat x rat hybridomas; antibody affinity constants, 10"9 to > 10"1"0 lmol) specifically directed against several DNA alkylation products with possible relevance in relation to both mutagenesis and malignant transformation of mammalian ...

Energy Technology Data Exchange (ETDEWEB)

In ab initio molecular dynamics, whenever information about the potential energy surface is needed for integrating the equations of motion, it is computed 'on the fly' using electronic structure calculations. For Born-Oppenheimer methods, the electronic structure calculations are converged, whereas in the extended Lagrangian approach the electronic structure is propagated along with the nuclei. Some recent advances for both approaches are discussed.

Energy Technology Data Exchange (ETDEWEB)

Ammonia borane (AB) and sodium borohydride (SBH) are candidate materials for on-board hydrogen storage that can be dehydrogenated upon demand. The rheological properties of the dehydrogenated by-products are important to quantify their removal and transportability from the hydrogen storage system. This paper presents visco-elastic property (elastic stiffness and viscous damping) measurements of the spent fuels obtained from AB hydrolysis, hydrothermolysis and thermolysis; and SBH hydrolysis. Smaller stiffness and larger mobility (or smaller viscous damping) indicate better transportability of the spent fuel. In addition, flow property (dynamic angle of repose and avalanching time) measurements for the hydrolysis spent fuels of AB and SBH are also presented. Comparing with the SBH hydrolysis spent fuel, the AB hydrolysis spent fuel had a lower stiffness and larger mobility, as well as lower angles of ...

DEFF Research Database (Denmark)

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

International Nuclear Information System (INIS)

3-Azido-#beta#-lactams react with the derivatives of trivalent phosphorus acids under mild conditions with the formation of 3-phosphoranediylamino-1,4-diaryl-2-azetidinones, which are readily hydrolyzed with the elimination of alcohol (thiol) to 3-phosphoranylamino-1,4-diaryl-2-azetidinones. The phosphine imide compounds obtained from the aryl alkyl phosphites are hydrolyzed with the elimination of phenols. 3-Phosphoranediylamino-1,4-diaryl-2-azetidinones react readily with alkyl and acyl halides with the formation of 3-(N-alkylphosphoryl-amino)- and 3-(N-acylphosphorylamino)-1,4-diaryl-2-azetidinones, respectively.

British Library Electronic Table of Contents (United Kingdom)

Tissue hypoxia is a feature of cancer, heart disease and stroke, and imaging it may become clinically important. Copper-ATSM (ATSMH2 = 2,3-butanedione bis(N-methyl)thiosemicarb-azone), labelled with 60Cu, 62Cu or 64Cu, is selectively taken up in hypoxic cells in vitro and in vivo by a bioreductive mechanism, and is a prototype hypoxia imaging agent amenable to improvement. In vitro studies with several differently alkylated analogues of CuATSM show that hypoxia selectivity is a general property of complexes with two alkyl groups at the diketone backbone, offering a range of pharmacokinetic properties while retaining hypoxia selectivity. This pharmacokinetic control affords a route to development of second-generation hypoxia imaging agents with optimized properties for different clinical ap...

Energy Technology Data Exchange (ETDEWEB)

Validity of fern spore germination bioassays for the effects of environmental pollution was established by many researchers. Some workers studied the phytotoxicity of linear alkyl benzene sulfonate (LAS) on the spores of Diplazium esculentum and observed that LAS levels above 0.001% are toxic to fern spores. Water pollution due to synthetic detergents has been increasing continuously during the last few years due to their extensive use in domestic life, agriculture and industry. These detergents are among the most common pollutants responsible for water pollution. In view of this fact, the phytotoxicity of LAS on germination of an aquatic fern Ceratopteris thalictroides spores was studied. However, in these studies, only germination pattern was taken as index and no observations were made on the developmental stages.

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

Aberrant amyloid-b peptide (Ab) accumulation along with altered expression and function of nicotinic acetylcholine receptors (nAChRs) stand prominently in the etiology of Alzheimer's disease (AD). Since the discovery that Ab is bound to a7 nAChRs under many experimental settings, including post-mortem AD brain, much effort has been expended to understand the implications of this interaction in the disease milieu. This research update will review the current literature on the a7 nAChR-Ab interaction in vitro and in vivo, the functional consequences of this interaction from sub-cellular to cognitive levels, and discuss the implications these relationships might have for AD therapies.

British Library Electronic Table of Contents (United Kingdom)

Abstract Hepatitis B (HBV) and C (HCV) viruses are the most important infections transmitted by the parenteral route in patients receiving maintenance dialysis. The prevalence varies markedly from country to country. The aim of this study is to review the efficacy of the strategies to reduce the incidence of these infections and the trend of results in Iran. As a routine, all hemodialysis patients in Iran have biannual blood samples for assessment of serum HBSAg, HBS Abs, and HCV Abs. The data are collected in the Ministry of Health. For statistical analysis, prevalence, and incidence were calculated. There is an increasing prevalence/incidence of end-stage renal disease (ESRD) in Iran, from 238/49.9 pmp in 2000 to 357/63.8 pmp in 2006. The prevalence of positive HBSAg and HCV Abs decrease...

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption on the surface of graphitized thermal carbon black at 300 K were determined by the molecular statistical method for three phenylalklylamines. The influence of the intramolecular H-bond on the conformation of the molecules compared with structurally related n-alkyl-benzenes was considered. It was shown that the conformations of the molecules could influence chromatographic retention. Conformational isomers stabilized by intramolecular H-bonds were found to retain their structure in adsorption on graphitized thermal carbon black.

Energy Technology Data Exchange (ETDEWEB)

N,N-Dialkyl-P-phenylphosphonamidous iodides are formed in the reactions of phenylphosphonus diiodide with silylated secondary amines. N,N-Dialkyl-P-phenylphosphonamidous iodides react with electrophilic reagents (methyl iodide, benzenesulfonyl azide, and phenyl azide) by the usual schemes with the formation of alkylation and oxidative-imination products. Iodine catalyzes the disproportionation of morpholinophenylphosphinous iodide into dimorphomorpholinophenylphosphinous iodide with iodine are iododimorpholinophenylphosphonium triiodide and phenylphosphonous diiodide.

Energy Technology Data Exchange (ETDEWEB)

A study has been made of the interaction between graphitized thermal carbon-black and cyclodextrins and a series of 28 derivatives of benzene (benzene, alkyl-, isoalkyl-, dialkyl-, trialkylbenzenes, vinyl-, and allyl-benzene). The specific retention volumes form the basis for a discussion of the mechanism of interaction and drawing conclusions for the practical separation of isomeric compounds. (orig.).

UK PubMed Central (United Kingdom)

The alkylation products formed by in vitro treatment of DNA with tritium-labeled 1,3-bis(2-chloroethyl)-1-nitrosourea (³H-BCNU) were identified and quantified. Twelve adducts were resolved...Full Text Available

Science.gov (United States)

The state of chromatin during the cell cycle was examined using synchronized cultures of CHO hamster cells. Results support Mazia's dynamic chromosome cycle model and indicate that DNA-interactive chemotherapeutic agents elicit different types of kinetic responses in treated cells, suggesting a degree of specificity of interaction between various alkylating and intercalating agents and the genome. Effects of sarkosyl crystals, heparin, and chemotherapeutic agents, neocarzinostatin and adriamycin, on chromation are discussed. (HLW)

Science.gov (United States)

... QVUX`TcYWjRSZ[YXTeof\\OWXabgn]egig[Z^S]^`PhlWOe_W\\V_DKFFNZSMVT_NT[QXOMX\\\\TY] aSRd[^roan`rdt[\\] pedel\\_ YWdrR`ehUodbi`_abXUbi_O[\\i[ZSfZHX^Zkhc_T^jav ...

British Library Electronic Table of Contents (United Kingdom)

The levels of General Transcription Factor (TF) IIA were examined during mammalian brain development and in rat embryo fibroblasts and transformed cell lines. The large TFIIA subunit paralogues ab and t are largely produced in unsynchronized cell lines, yet only TFIIA ab is observed in a number of differentiated tissue extracts. Steady-state protein levels of the TFIIA t, ab, and g subunits were significantly reduced when human embryonal (ec) and hepatic carcinoma cell lines were stimulated to differentiate with either all-trans-retinoic acid (ATRA) or sodium butyrate. ATRA-treated NT2-ec cells required replating to induce a neuronal phenotype and loss of detectable TFIIA t and g proteins. High levels of TFIIA t, ab, and g and Sp factors were identified in extracts from human fetal and rat...

UK PubMed Central (United Kingdom)

Background/Objective:Three patients with spinal cord injury (SCI) and 3 able-bodied (AB) patients were infused with naloxone during a study to examine their neuroendocrine...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.

UK PubMed Central (United Kingdom)

Despite the demonstrated clinical efficacy of CD20 monoclonal antibody (mAb) for lymphoma therapy, the in vivo mechanisms of tumor depletion remain controversial and variable. To identify the molecular...Full Text Available

UK PubMed Central (United Kingdom)

Electronic and structural properties of antiphase boundaries in group III-V semiconductor compounds have been receiving increased attention due to the potential to integration of optically-active III-V...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Air conditioning of urban electric cars by Peltier effect is simulated. Advantages (noise, simplicity of construction and of regulation, good heating performances...) and disadvantages (cooling performances lower than actual compressors, actual costs...) are presented. (A.B.). 8 refs., 5 figs.

UK PubMed Central (United Kingdom)

A DNA fragment located on the 3' side of the Coxiella burnetii htpAB operon was determined by Southern blotting to exist in approximately 19 copies in the Nine Mile I genome. The DNA sequences of this...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

A {lambda}gt11 cDNA library was constructed from poly(U)-Spharose-selected Entamoeba histolytica trophozoite RNA in order to clone and identify surface antigens. The library was screened with rabbit polyclonal anti-E. histolytica serum. A 700-base-pair cDNA insert was isolated and the nucleotide sequence was determined. The deduced amino acid sequence of the cDNA revealed a cysteine-rich protein. DNA hybridizations showed that the gene was specific to E. histolytica since the cDNA probe reacted with DNA from four axenic strains of E. histolytica but did not react with DNA from Entamoeba invadens, Acanthamoeba castellanii, or Trichomonas vaginalis. The insert was subcloned into the expression vector pGEX-1 and the protein was expressed as a fusion with the C terminus of glutathione S-transferase. Purified fusion protein was used to generate 22 monoclonal antibodies (mAbs) and a mouse polyclonal antiserum specific for the E. histolytica portion of the fusion protein. ...

International Nuclear Information System (INIS)

The helicase action of the Escherichia coli UvrAB complex on a covalently closed circular DNA template was monitored using bacterial DNA topoisomerase I, which specifically removes negative supercoils. In the presence of E. coli DNA topoisomerase I and ATP, the UvrAB complex gradually introduced positive supercoils into the input relaxed plasmid DNA template. Positive supercoils were not produced when E. coli DNA topoisomerase I was replaced by eukaryotic DNA topoisomerase I or when both E. coli and eukaryotic DNA topoisomerases I were added simultaneously. These results suggest that like other DNA helix-tracking processes, the ATP-dependent action of the UvrAM complex on duplex DNA simultaneously generates both positive and negative supercoils, which are not constrained by protein binding but are torsionally strained. The supercoiling activity of UvrAB on UV-damaged DNA was also studied using UV-damaged plasmid DNA and a ...

Energy Technology Data Exchange (ETDEWEB)

A preliminary assessment of the future refining impacts of the Clean Air Act Amendments of 1990 has been performed with the Navy Mobility Fuels Forecasting Systems. The assessment suggests that gasoline reformulation costs in domestic coastal and near-coastal refining regions in the year 2000 could be 3.5 to 5.6 cents per gallon (in terms of 1989 currency). For heating value equivalent to one gallon of conventional gasoline, the regional total added costs (including reformulation costs) for reformulated gasoline could be 5.9 to 8.0 cents. In blending reformulated gasolines, the reduction of butane for lower Reid vapor pressure and the reduction of reformate for lower aromatics are generally compensated by increased percentages of alkylate and/or straight run naphthas. Relatively larger refinery process capacity additions are required for butane isomerization, alkylation, aromatics recovery, and distillate hydrotreating. 21 refs., 3 figs., 18 ...

Energy Technology Data Exchange (ETDEWEB)

Antitumor platinum(II) complexes derived from N-alkyl-propanediamine differing in the length of their carbon chain (C8, C10, C12 and C14) were incorporated in liposomes and the cytotoxic activity of these formulations was evaluated against tumor (A{sub 549}, MDA-MB-231, B16-F1 and B16-F10) and non-tumor (BHK-21 and CHO) cell lines. Stable and monodisperse liposome suspensions incorporating the platinum complexes were obtained from the lipid composition consisting of distearoyl-sn-glycero-3-phosphocholine, cholesterol and 1,2-distearoyl-sn-glycero- 3-phosphoethanolamine-N-(methoxy(polyethylene glycol)-2000) at 5:3:0.3 molar ratio. The entrapment efficiency (EE%) of the platinum complexes in liposomes increased with the carbon chain length. EE% was higher than 80% in C12- and C14-derivatives. The effect of liposome encapsulation on the cytotoxic activity of the complexes was found to depend on the carbon chain length. These data indicate that the highest drug ...

British Library Electronic Table of Contents (United Kingdom)

Abstract The salts [Cnmim]2[Mo6Cl14] (mim = methylimidazolium; n = 4, 6, 12, 16, 18) have been obtained by reaction of CnmimCl with MoCl2. Thermal analysis shows the melting point decreases with increasing alkyl chain length of the cation. The imidazolium chloromolybdates(II) with n = 6-18 decompose above 340 C; [C18mim]2[Mo6Cl14] is thermally stable up to 390 C. All compounds are insensititve to the constituents of the atmosphere. Of the higher melting salts [Cnmim]2[Mo6Cl14] (n = 4, 6), high-quality single crystals could be obtained. Single-crystal X-ray structural analyses clearly show that the cluster complex anion [Mo6Cl14]2- has an electron-precise octahedral {Mo6} cluster. For [C4mim]2[Mo6Cl14], two polymorphs differing in the cation alkyl-side-chain conformation were obtained. The ...

Energy Technology Data Exchange (ETDEWEB)

Negative ion electrospray ionization (ESI) coupled with high field Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) allows for the direct detection of acidic NSO compounds in petroleum. The technique requires no chromatographic separation, is able to distinguish 18 different compound classes (e.g., neutral nitrogen, carboxylic acids and oxygenates), and can identify {approx}14,000 distinct masses by ultra-high mass resolution and mass accuracy. We previously studied three crude oils from different geological origins [Organic Geochemistry 33 (2002b) 743-759]. Here, we expand our research by comparing two source-equivalent Smackover oils of different levels of thermal maturity. We observe clear differences in the distribution of NSO compound classes, types (number of rings plus double bonds within a class), and number of alkyl carbons. With increasing thermal stress, the relative amount of sulfur and oxygen containing compounds decreases, ...

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Research activity during the 1991--1992 funding period has been concerned with the following topics relevant to carbon monoxide activation. (1) Exploratory studies of water gas shift catalysts heterogenized on polystyrene based polymers. (2) Mechanistic investigation of the nucleophilic activation of CO in metal carbonyl clusters. (3) Application of fast reaction techniques to prepare and to investigate reactive organometallic intermediates relevant to the activation of hydrocarbons toward carbonylation and to the formation of carbon-carbon bonds via the migratory insertion of CO into metal alkyl bonds.

Energy Technology Data Exchange (ETDEWEB)

A process is disclosed for the preparation of liquid, storage-stable, polyisocyanate compositions containing a release agent formed in situ which compositions are useful, for example, as binder resins in the formation of particle boards which latter, because of the presence of the release agent, show no tendency to adhere to the face of metal platens used in their formation. The process comprises heating an organic polyisocyanate (polymethylene polyphenyl polyisocyanate preferred) with an acid phosphate (e.g. a mixture of mono-and di-alkyl acid phosphates) under conditions controlled as to time and temperature so as to yield a product which is storage stable and shows no tendency to deposit solid or to separate into two liquid phases.

British Library Electronic Table of Contents (United Kingdom)

We have prepared a series of novel gemini surfactants having ester bonds in their structures. These surfactants possess two identical hydrophilic polyethylene glycol moieties, two hydrophobic alkyl group moieties, and an anionic spacer. The structures of these compounds were confirmed through infrared and nuclear magnetic resonance spectroscopic and elemental analyses. The novel gemini surfactants exhibit excellent surface activity in terms of their surface tension, low-foaming, wetting power, and fluorescence properties. The presence of the ester linkages made these structures cleavable surfactants.

International Nuclear Information System (INIS)

The effectiveness of the acridines ethidium bromide (EB) and acriflavine in inducing plasmon mutations was compared with the alkylating agents ethyl methanesulphonate (EMS) and diethyl sulphate and to #gamma#-rays. The growth habit (trailing versus bunch) of peanuts (A. hypogaea), controlled by genic-cytoplasmic interactions, was utilized. Breeding tests distinguishing nuclear from plasmon mutations were developed and are described in detail. Plasmon mutations were induced, but there were differences in mutation yields between the cultivars and the mutagens. (Auth.).

Energy Technology Data Exchange (ETDEWEB)

Studies dialysis kinetics of zinc dialkyldithiophosphates, detergent-dispersing agents, alkyl-phenols and base oils. It was established that diffusion kinetics of oil hydrocarbons through membrane of individual compounds and narrow fractions is described by Brinzinger's formula, which is identical to the kinetic reaction formula of the 1st order. It was shown that dialysis can be utilized to determine the content of the ''active substance'' only in sulphonate and alkylsalycilate additives. Increasing temperature from 20 to 40/sup 0/ results in an increased dialysis constant for all studied products by 1.4-1.9 times.

International Nuclear Information System (INIS)

A useful method for preparing radioiodinated photoaffinity labels from alkyl anilines which offer significant advantages over present methods is described. The one-pot synthesis gives good radiochemical yields (40-64%) of pure, high specific activity (350-1500 mCi/#mu#mol) "1"2"4I labelled iodaryl azides while minimising manipulation of radioactive materials. Purification of the ["1"2"5I]iodoazido photoaffinity labels is achieved by high performance liquid chromatography. (author).

International Nuclear Information System (INIS)

The role of the HCR system in the repair of prelethal lesions induced by UV light, #gamma# radiation and alkylating agents was studied in the Bacillus subtilis SPP1 phage, its heat sensitive mutants (N3, N73 nad ts_1) and corresponding infectious DNA. The survival of phages and their transfecting DNA after treatment with UV light is substantially higher in hcr"+ cells than in hcr cells, the differences being more striking in intact phages than in their transfecting DNA's. Repair inhibitors reduce survival in hcr"+ cells: caffeine lowers the survival of UV-irradiated phage SPP1 in exponentially growing hcr"+ cells but has no effect on its survival in competent hcr"+ cells; acriflavin and ethidium bromide decrease the survival of the UV-irradiated SPP1 phage in both exponentially growing and competent hcr"+ cells to the level of survival observed in hcr cells; moreover, ethidium bromide lowers the number of infective centres in hcr"+ cells of the UV-irradiated DNA of ...

International Nuclear Information System (INIS)

Three new rare earth metal-rich compounds, Gd_6MTe_2 (M=Co, Ni) and Er_6RuTe_2, were synthesized in direct reactions between the R, R_3M, and R_2Te_3 (R=Gd, Er, M=Co, Ni, Ru). These materials all adopt the same Zr_6CoAl_2 structure type with space group P6-bar 2m (No. 189, Z=1). Single crystal structures of Gd_6CoTe_2 and Er_6RuTe_2 were determined and lattice parameters are a=b=8.3799(5), c=3.9801(4) A, and a=b=8.1473(5) A, c=3.9962(4) A, respectively. Gd_6NiTe_2 was characterized by X-ray powder diffraction; lattice parameters are a=b=8.412(2), c=3.9577(9) A. Metal-metal bonding correlations were analyzed using the empirical Pauling bond order concept.

Energy Technology Data Exchange (ETDEWEB)

In this study, SnO{sub 2} thin films have been grown using spray pyrolysis technique on glass substrates under a substrate temperature (T{sub s} = 440 {sup o}C). The precursors were methanol CH{sub 4}O and anhydrous tin tetrachloride. XRD analyses yielded strong (1 1 0)-(1 0 1)-(2 0 0) X-ray diffraction peaks which are characteristics to tetragonal crystals. Atomic Force Microscopy (AFM) analyses showed the existence of clusters with particular pyramidal shapes. The main part of this study concerns the optical measurements of transmittance T({lambda}) and reflectance R({lambda}) spectra inside 250-1800 nm domain. Conjoint optical and thermal properties were deduced using the Amlouk-Boubaker Opto-Thermal Expansivity {psi}{sub AB}. The obtained value: {psi}{sub AB} {approx} 23.4 m{sup 3} s{sup -1} helped situating the performance of the as-grown SnO{sub 2} compound among most known PV-T oxides like ZnO and TiO{sub 2}.

Energy Technology Data Exchange (ETDEWEB)

The diagnosis of dialysis-related amyloid (AB-amyloid) has been based usually on clinical and radiological criteria. Following the discovery that beta 2-microglobulin was the major protein of this amyloid, we isolated and radiolabelled uremic plasma beta 2-microglobulin. After intravenous injection, gamma-camera images of selected joint areas were obtained from 42 patients who were on regular hemodialysis therapy. Positive scans involving the shoulder, hip, knee and carpal regions were found in 13 of 14 patients treated for more than 10 years and 10 of 16 patients treated for 5 to 10 years. Patients treated for less time had negative scans. Specificity was indicated by negative scans in non-amyloid inflammatory lesions in control hemodialysis patients. Up to 48-fold tracer enrichment was detected in excised AB-amyloid containing tissue as compared to amyloid-free tissue. These findings suggest that circulating radiolabelled beta 2-microglobulin ...

British Library Electronic Table of Contents (United Kingdom)

Summary The objective of this study was to examine the role of root carbohydrate levels and metabolism in the waterlogging tolerance of contrasting mung bean genotypes. An experiment was conducted with two cultivated mung bean (Vigna radiata) genotypes viz., T44 (tolerant) and Pusa Baisakhi (PB) (susceptible), and a wild Vigna species Vigna luteola under pot-culture to study the physiological and molecular mechanism of waterlogging tolerance. Waterlogging resulted in decrease in relative water content (RWC), membrane stability index (MSI) in root and leaf tissues, and chlorophyll (Chl) content in leaves, while the Chl a/b ratio increased. Waterlogging-induced decline in RWC, MSI, Chl and increase in Chl a/b ratio was greater in PB than V. luteola and T44. Waterlogging caused decline in tot...

British Library Electronic Table of Contents (United Kingdom)

Ethnopharmacological relevance: Tong Luo Jiu Nao (TLJN) is a modern Chinese formula based on Traditional Chinese Medicine theory that has been used to treat ischemic cerebral stroke and vascular dementia. TLJN belongs to the ethnopharmacological family of medicines. In this study, we investigated the mechanism of the TLJN effect on Alzheimer's disease (AD). Aim of the study: To investigate the effect of TLJN on b-amyloid-degrading enzymes and learning and memory in the AD rat brain. Materials and methods: AD rats whose disease was induced by Ab25-35 injection into the bilateral hippocampus CA1 region were subjected to intragastric administration of various preparations. The experimental animals were healthy male Sprague-Dawley rats which were randomly divided into normal, sham, model, TLJN...

Energy Technology Data Exchange (ETDEWEB)

The structure of ammonium azide (NH{sub 4})N{sub 3} was (re-)determined ab initio from x-ray powder diffraction experiment using synchrotron radiation. We tried to detail and comment the different steps involved in the structure determination. The compound crystallize in the orthorhombic Pmna space group (no.53) with a = 8.937(1) A, b= 3.8070(5) A, c = 8.664(1) A, V = 294.79(7) A{sup 3}; Z= 4. It was possible to locate and refine the hydrogen coordinates, in two different approaches, and to establish the H-bonds. The final structural parameters are in good agreement with previous results based on three-dimensional neutron diffraction. (Author)

British Library Electronic Table of Contents (United Kingdom)

We carried out theoretical analyses based on ab initio calculations that incorporate free energy of the vapor phase in order to determine the initial growth process of cubic GaN on GaN (001)-(4x1). The results suggest that a N-adsorbed structure appears at the initial growth stage and then Ga adsorbs on the N-adsorbed GaN (001)-(4x1) surface. Considering this process, we performed Monte Carlo simulations. The results suggest that the maximum point of Ga coverage after supplying a Formula Not Shown monolayer of atoms shifted toward a Ga-rich condition from V/III=1.0.

CERN Document Server

This work presents accurate ab initio determination of the hyperfine splitting for the ground state and few low-lying excited states of 113Cd+; important candidates for the frequency standard in the microwave region, using coupled-cluster theory (CC) in the relativistic framework. The calculated hyperfine splitting are well in agreement with recent experimental results. We have also carried out the lifetimes of the 5p2P1=2 and 5p2P3=2 states, which are in well agreement with recent experimental result (Moehring et al., PRA 73 023413, 2006). The roles of different electron correlation effects in the determination of these quantities are discussed and their contributions are presented in the CC terms.

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The reactions of the hydroxyl radical with hydrocarbons and fluoro hydrocarbons attract significant attention due to their importance in atmospheric chemistry. Its reactions with the two first hydrocarbons, methane and ethane are of special interest because, owing to the small size of these systems, they serve as a prototype for the theoretical studies of hydrogen abstraction reactions. In this work, the reaction and activation energies of the hydroxyl radical abstraction reaction with methane and ethane have been investigated by correlated ab initio and DFT methods. The DFT reaction energies are in good agreement with experimental values, but the activation energies may be in severe error. (authors) 22 refs.

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This book examines some of the basic principles behind chemical reactions kinetics. Topics considered include ab initio determination of potential energy for chemical reactions; semi-empirical potential energy surfaces; general theory of reactive scattering: different equation approach; and integral equation approach to reactive scattering.

International Nuclear Information System (INIS)

In this work, the principal continuum radiative emission processes, which occur during the penetration of ions in solids or gases, are resumed. The characteristics of the following processes are discussed: secondary electron bremsstrahlung (SEB), atomic bremsstrahlung (AB), and internuclear bremsstrahlung (INB). Recent advances of the ion channeling effects in crystal solids on the spontaneous radiative spectra are exposed. (A.C.A.S.).

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We have measured the oxygen positions in LaNiO{sub 3} films to elucidate the coupling between epitaxial strain and oxygen octahedral rotations. The oxygen positions are determined by comparing the measured and calculated intensities of half-order Bragg peaks, arising from the octahedral rotations. Combining ab initio density-functional calculations with these experimental results, we show how strain systematically modifies both bond angles and lengths in this functional perovskite oxide.

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We show that the relation between D-branes and noncommutative tachyons leads very naturally to the relation between D-branes and K-theory. We also discuss some relations between D-branes and K-homology, provide a noncommutative generalization of the ABS construction, and give a simple physical interpretation of Bott periodicity. In addition, a framework for constructing Neveu--Schwarz fivebranes as noncommutative solitons is proposed.

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We report on large-scale applications of the ab initio, no-core shell model with the primary goal of achieving an accurate description of nuclear structure from the fundamental inter-nucleon interactions. In particular, we show that realistic two-nucleon interactions are inadequate to describe the low-lying structure of {sup 10}B, and that realistic three-nucleon interactions are essential.

International Nuclear Information System (INIS)

Using ab initio (SCF/6-31G) method, mechanisms of proton migrations in methaboric acid dimers have studied. It is shown that in all the dimers considered a cooperative transfer of protons occurs. The calculated values of activation barriers of cooperative proton transfer reactions in the dimers are equal to 28.6 kcal/mol.

UK PubMed Central (United Kingdom)

In this study we show the effect of anti-sulfatide (RmAb) antibodies and inflammatory cytokines, TNF-α and IFN-γ in inducing myelin basic protein (MBP) degradation in myelin...Full Text Available

British Library Electronic Table of Contents (United Kingdom)

A new low molecular mass organogelator 1 containing 2-(2prime-hydroxyphenyl)benzoxazole (HPB) group with long alkyl chain was synthesized by the reaction with 5-amino-2-(2prime-hydroxy-4prime-methylphenyl)benzoxazole and dodecyl isocyanate in THF at room temperature. The reversible gelation ability of 1 was investigated using a heating-cooling method in various organic solvents. The stable organogel was formed from carbon tetrachloride or from cyclohexane at the concentration as low as 0.9%. The self-assembled supramolecular gel structure formed by non-covalent bonding was confirmed with field emission-scanning electron microscope (FE-SEM) exhibiting fibril- or ribbon-shaped structure depending on the solvent used. Regarding the aggregation-induced emission enhancement (AIEE) phenomenon, t...

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

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Allogeneic stem-cell transplantation (SCT) is potentially curative therapy in AML by providing both dose-intensive chemo-radiotherapy and induction of graft-versus-leukemia (GvL) effect. Historically, more emphasis was given to the intensity of conditioning. Over the last decade the pendulum turned more towards induction of GvL as the primary goal. A plethora of non-myeloablative (NMA) and reduced-intensity conditioning regimens (RIC) were introduced trying to reduce transplant-related toxicities and allow SCT in elderly and medically infirm patients. In addition, reduced-toxicity myeloablative regimens (RTC) based on fludarabine and myeloablative alkylating-agent doses were designed to allow safer administration of dose-intensive therapy. Conditioning dose-intensity is highly correlated w...

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The molecular environment of the key subdomain IIId of the internal ribosome entry site (IRES) element of hepatitis C virus (HCV) RNA in the binary complex with the human 40S ribosomal subunit was studied. To this end, HCV IRES derivatives bearing perfluorophenylazido groups activatable by mild UV at nucleotides G263 or A275 in the subdomain IIId stem were used. They were prepared by the complementary addressed modification of the corresponding RNA transcript with alkylating oligodeoxyribonucleotide derivatives. None of the RNA derivatives were shown to be crosslinked to the 18S rRNA. It was found that the photoreactive groups of the IRES G263 and A275 nucleotides are crosslinked to ribosomal proteins S3a, S14, and S16. For the IRES derivative with the photoreactive group in nucleotide G26...

British Library Electronic Table of Contents (United Kingdom)

Sulfur mustard (HD) is an alkylating and cytotoxic chemical warfare agent, which inflicts severe skin toxicity and an inflammatory response. Effective medical countermeasures against HD-caused skin toxicity are lacking due to limited knowledge of related mechanisms, which is mainly attributed to the requirement of more applicable and efficient animal skin toxicity models. Using a less toxic analog of HD, chloroethyl ethyl sulfide (CEES), we identified quantifiable inflammatory biomarkers of CEES-induced skin injury in dose- (0.05-2 mg) and time- (3-168 h) response experiments, and developed a CEES-induced skin toxicity SKH-1 hairless mouse model. Topical CEES treatment at high doses caused a significant dose-dependent increase in skin bi-fold thickness indicating edema. Histopathological e...

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Abstract Dispersions of single-walled carbon nanotubes (SWNTs) in various surfactant solutions have been systematically evaluated as additives in MEEKC. The compounds examined were catechins, phenolic acids, and flavonoids. Compared with zwitterionic and neutral surfactants, the addition of anionic dispersion seemed to be better at separating the three types of analytes in microemulsion system. In order to achieve low operating currents, an in situ-synthesized surfactant system based on the combination of a long-chain alkyl acid with an organic base was used in MEEKC. The optimized buffer contained 0.5% (57-mM) ethyl acetate, 0.6% (30-mM) lauric acid, 4.0% (666-mM) propanol, 50-mM Tris solution, and 4.5-mg/L the dispersion of SWNTs. Under optimized conditions, the established method was ap...

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{gamma}-Butyrolactone-based electrolytes have been used as the operating electrolytes for aluminum electrolytic capacitors. The chemical stability of these electrolytes at elevated temperatures has been examined by monitoring the decrease in their electrolytic conductivities. The deteriorated electrolytes were analyzed by gas and liquid chromatography and the conductivity decrease was directly correlated with the loss of acid components. In quaternary ammonium hydrogen maleate/{gamma}-butyrolactone electrolytes, the maleate anion decomposed by decarboxylation resulting in a complex polymer containing polyester and polyacrylate structures. Quaternary ammonium benzoate/{gamma}-butyrolactone electrolytes decomposed by SN2 reactions giving alkyl benzoates and trialkylamines. The deterioration of the carboxylate salt/{gamma}-butyrolactone electrolytes was accelerated by electrolysis. (orig.)

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Chlorophyll-a (Chl-a) assembled in hydrophobic domain by fatty acid with long alkyl hydrocarbon chain such as myristic acid (Myr), stearic acid (Ste) and cholic acid (Cho) modified onto nanocrystalline TiO{sub 2} electrode is prepared and the photovoltaic properties of the nanocrystalline TiO{sub 2} film by Chl-a are studied. Incident photon to current efficiency (IPCE) value at 660 nm in photocurrent action spectrum of Chl-a/Ste-TiO{sub 2}, Chl-a/Myr-TiO{sub 2} and Chl-a/Cho-TiO{sub 2} electrodes are 5.0%, 4.1% and 4.1%, respectively. Thus, the IPCE is maximum using Chl-a/Ste-TiO{sub 2} electrode. From the results of photocurrent responses with light intensity of 100 mW cm{sup -2} irradiation or monochromatic light with 660 nm, generated photocurrent increases using Chl-a/Ste-TiO{sub 2} electrode compared with the other Chl-a assembled TiO{sub 2} electrodes. These results show that the hydrophobic domain formed by stearic acid with long alkyl ...

International Nuclear Information System (INIS)

The structural parameters of various Haegg phases (H or M_n_+_1AX_n phases) are studied experimentally by x-ray and electron spectroscopies, x-ray diffraction, and ab initio full potential as well as full mutiple scattering theoretical calculations. Experimentally it was found that the structure of all ternary compounds analyzed herein are relaxed. The values of the lattice parameters and relaxations obtained from ab initio calculations are in excellent agreement with those deduced from the analysis of the experimental data. The bonding scheme has been analyzed and the charge transfer between constituting atoms determined. It is demonstrated that the strength and electrical transport properties in these materials are principally governed by the metallic planes. For the solid solution (Ti_0_._5Nb_0_._5)_2AlC, the most salient result is that the basal planes are corrugated, which could explain the solid solution scattering observed in this H ...

CERN Document Server

We improve the steady-state ab initio laser theory (SALT) of Tureci et al. by expressing its fundamental self-consistent equation in a basis set of threshold constant flux states that contains the exact threshold lasing mode. For cavities with non-uniform index and/or non-uniform gain, the new basis set allows the steady-state lasing properties to be computed with much greater efficiency. This formulation of the SALT can be solved in the single-pole approximation, which gives the intensities and thresholds, including the effects of nonlinear hole-burning interactions to all orders, with negligible computational effort. The approximation yields a number of analytic predictions, including a "gain-clamping" transition at which strong modal interactions suppress all higher modes. We show that the single-pole approximation agrees well with exact SALT calculations, particularly for high-Q cavities. Within this range of validity, it provides an extraordinarily efficient ...

Science.gov (United States)

There is an increased emphasis on hyphenated techniques such as immunoaffinity LC/MS/MS (IA-LC/MS/MS) or IA-LC/MRM. These techniques offer competitive advantages with respect to sensitivity and selectivity over traditional LC/MS and are complementary to ligand binding assays (LBA) or ELISA's. However, these techniques are not entirely straightforward and there are several tips and tricks to routine sample analysis. We describe here our methods and procedures for how to perform online IA-LC/MS/MS including a detailed protocol for the preparation of antibody (Ab) enrichment columns. We have included sample trapping and Ab methods. Furthermore, we highlight tips, tricks, minimal and optimal approaches. This technology has been shown to be viable for several applications, species and fluids from small molecules to proteins and biomarkers to PK assays. PMID:21872661

CERN Document Server

Aims. We attempt to detect starlight reflected from a hot Jupiter, orbiting the main-sequence star HD 75289Ab. We report a revised analysis of observations of this planetary system presented previously by another research group. Methods. We analyse high-precision, high-resolution spectra, collected over four nights using UVES at the VLT/UT2, by way of data synthesis. We try to interpret our data using different atmospheric models for hot Jupiters. Results. We do not find any evidence for reflected light, and, therefore, establish revised upper limits to the planet-to-star flux ratio at the 99.9% significance level. At high orbital inclinations, where the best sensitivity is attained, we can limit the relative reflected radiation to be less than e = 6.7 x 10-5 assuming a grey albedo, and e = 8.3 x 10-5 assuming an Class IV function, respectively. This implies a geometric albedo smaller than p = 0.46 and p = 0.57, for the grey albedo and the Class IV albedo shape, ...

CERN Document Server

Over the last decade {\\it ab initio} modeling of material properties has become widespread in diverse fields of research. It has proved to be a powerful tool for predicting various properties of matter under extreme conditions. We apply modern computational chemistry and materials science methods, including density functional theory (DFT), to solve lingering problems in the modeling of the dense atmospheres of cool white dwarfs ($T_{\\rm eff}\\rm <7000 \\, K$). Our work on the revision and improvements of the absorption mechanisms in the hydrogen and helium dominated atmospheres resulted in a new set of atmosphere models. By inclusion of the Ly-$\\rm \\alpha$ red wing opacity we successfully fitted the entire spectral energy distributions of known cool DA stars. In the subsequent work we fitted the majority of the coolest stars with hydrogen-rich models. This finding challenges our understanding of the spectral evolution of cool white dwarfs. We discuss a few ...

International Nuclear Information System (INIS)

Using an ab initio pseudopotential method within a generalized gradient approximation of the density functional theory, the structural, electronic, and phonon properties of SrS in the B1 (NaCl) and B2 (CsCl) structures have been studied. The calculated lattice constants, static bulk modulus, and first-order pressure derivative of the bulk modulus are reported for both the B1 and B2 structures and compared with previous experimental and theoretical calculations. Electronic band structures and densities of states have been derived for SrS. Subsequently, a linear-response approach to the density functional theory is used to derive the phonon frequencies and densities of states.

CERN Document Server

The nature of the first generation of stars in the Universe remains largely unknown. Observations imply the existence of massive primordial stars early in the history of the universe, and the standard theory for the growth of cosmic structure predicts that structures grow hierarchically through gravitational instability. We have developed an ab initio computer simulation of the formation of primordial stars that follows the relevant atomic and molecular processes in a primordial gas in an expanding universe. The results show that primeval density fluctuations left over from the Big Bang can drive the formation of a tiny protostar with a mass of just one percent that of the sun. The protostar is a seed for the subsequent formation of a massive primordial star.

International Nuclear Information System (INIS)

Building on the concepts of MIRD methods described by Webber, Watson and others at this Symposium on the Dosimetry of Administered Radionuclides, we will now consider how to apply these principles to several experimentally based open-quote macroclose quotes and multicellular models. Specifically, methods to calculate absorbed dose using different types of particulate emission (alpha, beta) with a variety of antibody carriers (IgG, F(ab')_2, Fab) for radioimmunotherapy (RIT) will be reviewed. Additionally, a discussion of direct measurement methods at the multicellular level will reveal the problems of tumor absorbed dose heterogeneity when applied to animal and clinical studies.

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We present ab-initio calculations of the electronic structure of small Fe clusters (1-9 atoms) on Ni(001), Ni(111), Cu(001) and Cu(111) surfaces. Our focus is on the spin moments and their dependence on cluster size and shape. We derive a simple quantitative rule that relates the moment of each Fe atom linearly to its coordination number. Thus, for an arbitrary Fe cluster the spin moment of the cluster and of the individual Fe atoms can be readily found if the positions of the atoms are known. (orig.)

CERN Document Server

We review an analysis of a consistent renormalization of the top and bottom quark/squark sector of the MSSM with complex parameters (cMSSM). Various renormalization schemes are defined, analyzed analytically and tested numerically in the decays Stop_2 -> Sbottom_i H^+/W^+ (i = 1,2). No scheme is found that produces numerically acceptable results over all the cMSSM parameter space, where problems occur mostly already for real parameters. Some numerical examples for Gamma(Stop_2 -> Sbottom_1 H^+) in our preferred scheme, "m_b, A_b DRbar" are shown.

CERN Document Server

In this note, we derive from Anstee's fractional $(g,f)$-factor theorem a similar characterization for the property of all fractional $(g,f)$-factors. Let $a$ be two positive integers and $G$ a graph of order $n$ sufficiently large for $a$ and $b$. Then G has all fractional $[a, b]$-factors if the minimum degree is at least $\\delta(G)\\geq \\frac{1}{4a}((a+b-1)^2+4b)$ and every pair of non-adjacent vertices has cardinality of the neighborhood union at least $bn/(a + b)$. This lower bounds are sharp.

International Nuclear Information System (INIS)

The synthesis of ["1"1C]phenobarbital, ["1"1C]pentobarbital and["1"1C]amobarbital labelled in the 5-[1-"1"1C]ethyl position is reported. The malonic esters R- CH(CO_2Et)_2 [R phenyl-, 1-methylbutyl-, and 3- methylbutyl- were alkylated with [1-"1"1C]ethyl iodide prepared from ["1"1C]carbon dioxide. Ring closure of the 2-[1-"1"1C]ethyl-labelled malonic esters with urea afforded 5-[1-"1"1C]ethyl-phenobarbital,-phenobarbital, -pentobarbital and -amobarbital synthesis times of 42-47 min, counted from ["1"1C] carbon dioxide. In typical syntheses starting with 3 GBq pentobarbitol and (81 mCi) ["1"1C]carbon dioxide, 150-215 MBq (4-6 mCi) were produced in 25-30% decay corrected -amobarbital radiochemical yields with radiochemical purities greater than 98%. (author).

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

The interest in radioiodinated diamines stems from their similarity to /sup 125/I-HIPDM and to the 1-dialkvlamino-acyl-4-phenylpiperazines that the authors have previously examined as potential brain imaging agents. In this study they converted the 1-(dialkylaminoacyl)-4-phenylpiperazines to their corresponding 1-(dialkylaminoacyl) analogs via reduction with diborane in THF. Radioiodination at the no-carrier-added level with Na/sup 125/I and chloramine-T gave the final compounds, after chromatographic separation, in 30-50% yields. The tissue distributions were determined in rats at 0.25, and 4 hrs after an i.v. injection of the radiochemical. The results indicated that all of the agents were readily extracted by the brain (1.5-2.5% ID) with brain to blood ratios >20. The structure-distribution relationships for this series were, however, decidedly different from the aminoacyl compounds in that morpholino-derivatives had better uptake and retention than the piperidine derivatives. ...

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

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the development of lithium metal batteries is hindered by the bad reversibility of the Li{sup +}/Li pair, due to dendrites formation which limits the amount of active matter and can generate short-circuits. The chemical and electrochemical phenomena which take place at the electrode/organic electrolyte interface lead to the formation of a complex passivation film which is of prime importance for the functioning of this type of batteries. The in-situ infrared reflection spectroscopy is well adapted to the chemical study of the passivation layer. Two different techniques were used: the substraction normalized interfacial transform infrared spectroscopy (SNIFTIRS) and the electro-chemically modulated infrared reflectance spectroscopy. These methods have shown that the passivation layer that develops on the surface of the lithium electrode in contact with organic solutions (propylene carbonate, ethylene carbonate and dimethoxyethane) is mainly made of lithium alkyl ...

International Nuclear Information System (INIS)

The phase transition behaviour of polyethylene-b-poly(ethylene oxide) (PE-b-PEO) diblock copolymer with relatively short chain lengths has been studied on the basis of temperature dependent infrared and Raman spectral measurements and synchrotron WAXD/SAXS simultaneous measurements, from which the concrete structural changes were deduced successfully from the various levels of molecular chain conformation, chain packing mode and higher-order structure. The higher-order structure has been found to transform between lamella, perforated lamella, gyroid, cylinder and sphere structures. The inner structural changes occurring in the polyethylene and poly(ethylene oxide) parts have been related with these morphological changes. The morphological transition from lamella to gyroid occurs with keeping the crystalline state of polyethylene parts. This apparently curious transition can be interpreted reasonably by assuming the thermally-activated chain motion in the crystal lattice, which may play ...

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A tk{sup +/-} mouse embryonic stem (ES) cell line, designated 1G2, has been created in which one allele of the thymidine kinase (tk) gene was inactivated by targeted homologous recombination. This line is an analog of the mouse lymphoma tk{sup +/-} L5178Y cell line, which is used widely to assess the mutagenicity of chemical agents. Treatment of 1G2 cells with the alkylating agent N-ethyl-N-nitrosourea (ENU) resulted in a dose-related increase in tribluorothymidine-resistant colonies. Mutant frequencies of 152 and 296 per 10{sup 6} cells were determined for 0.1 and 0.3 mg/ml doses of ENU, compared with a spontaneous mutant frequency of 15 per 10{sup 6} cells. The data indicate that tk{sup +/-} 1G2 ES cells may be useful for the creation of a transgenic mouse model for assessing in vivo mutation using an endogenous autosomal gene. 45 refs., 2 figs., 1 tab.

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We describe the isolation and genetic characterization of N-methyl-N'-nitro-N-nitrosoguanidine (MNNG)-induced mutations in the phage P22 mnt repressor gene cloned in plasmid pBR322. Mutations in the mnt repressor gene or its operator on this plasmid, pPY98, confer a tetracycline resistance phenotype, whereas the wild-type plasmid confers tetracycline sensitivity. Cells carrying pPY98 were briefly exposed to MNNG to give 20 to 40% survival and a 50- to 100-fold increase in tetracycline-resistant cells. DNA sequence analysis showed that 29 to 30 MNNG-induced mutations were GC-to-AT transitions and one was an AT-to-GC transition. About 80% of the mutations are in three hotspots. This mutation spectrum is consistent with the proposed mechanism of mutagenic action of MNNG, which involves mispairing of an alkylated base, O/sup 6/-methylguanine. The mnt gene may be a useful target for determining mutagenic specificity at the nucleotide level because (i) forward ...

Science.gov (United States)

We describe the Hubble Space Telescope (HST) Wide Field Camera 3 (WFC3) Early Release Science (ERS) observations in the GOODS-South field. The new WFC3 ERS data provide calibrated, drizzled mosaics with FHWM=0.07--0.15" in the near-UV (filters F225W, F275W, and F336W) and near-IR (F098W, F125W, and F160W) in typically 2 orbits per filter. Together with the existing HST/ACS GOODS-S mosaics in the BVi'z' filters, the 10-band ERS data cover 40-50 sq. arcmin to AB=26-27.0 mag (10-sigma for point sources). In this poster, we describe the: (1) scientific rationale, data taking and reduction procedures of the WFC3 ERS mosaics; (2) object cataloging and star-galaxy separation techniques used in these 10 different filters; (3) reliability and completeness of the 10-band object catalogs from the ERS mosaics; (4) object counts in 10 different filters from 0.2-1.7 microns to AB=26.0-27.0 mag; and (5) the full-color 10-band ERS images. We discuss the ...

British Library Electronic Table of Contents (United Kingdom)

Tungsten, in the form of tungstate, polymerizes with phosphate, and as extensive polymerization occurs, cellular phosphorylation and dephosphorylation reactions may be disrupted, resulting in negative effects on cellular functions. A series of studies were conducted to evaluate the effect of tungsten on several phosphate-dependent intracellular functions, including energy cycling (ATP), regulation of enzyme activity (cytosolic protein tyrosine kinase [cytPTK] and tyrosine phosphatase), and intracellular secondary messengers (cyclic adenosine monophosphate [cAMP]). Rat noncancerous hepatocyte (Clone-9), rat cancerous hepatocyte (H4IIE), and human cancerous hepatocyte (HepG2) cells were exposed to 1-1000 mg/l tungsten (in the form of sodium tungstate) for 24 h, lysed, and analyzed for the ab...

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We present results from a kinetic Monte Carlo simulation of boron transient enhanced diffusion (TED) in silicon. Our approach avoids the use of phenomenological fits to experimental data by using a complete and self-consistent set of values for defect and dopant energetics derived mostly from {ital ab initio} calculations. The results predict that, during annealing of 40 keV B-implanted Si at 800{degree}C, there exists a time window during which all the implanted boron atoms are substitutional. At earlier or later times, the interactions between free silicon self-interstitials and boron atoms drive the growth of boron clusters and result in an inactive boron fraction. The results show that the majority of boron TED takes place during the growth period of interstitial clusters and not during their dissolution. {copyright} {ital 1998 American Institute of Physics.}

British Library Electronic Table of Contents (United Kingdom)

The T cell receptor is a fundamental mediator of the adaptive immune responses, since TR ab on T cells recognize foreign structures (peptides derived from processed antigens) bound to the major histocompatibility complex (MHC) on APC cells. In the present study, we report the cloning of six TRB chains cDNA sequences from gilthead sea bream (Sparus aurata), a fish of high economical impact in South Mediterranean aquaculture. The V-BETA domains have the canonical features of known teleost and mammalian TR V-BETA domains and have been divided in four different subgroups. A multiple alignment of the six sea bream TRB chains with other known TRB sequences was assembled and showed the conservation of the four cysteine residues involved in disulphide bonds and of some amino acids with an importan...

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Site occupancies in three C15-structured AB{sub 2}(X) Laves phases have been determined by Atom Location by CHanneling Enhanced MIcroanalysis (ALCHEMI). In NbCr{sub 2}(V), the results were consistent with exclusive site occupancies of Nb for the A sublattice and Cr and V for the B sublattice. The B-site occupancy of V is not expected from atom size effects alone. In NbCr{sub 2}(Ti), the results were consistent with Ti partitioning mostly to the A sites with some anti-site defects likely. In HfV{sub 2}(Nb), the results were consistent with Nb partitioning between the A and B sites. The results of the ALCHEMI analyses of these ternary C15 Laves phase materials will be discussed with respect to previously determined phase diagrams and first-principles total energy and electronic structure calculations.

British Library Electronic Table of Contents (United Kingdom)

Olfactory memory dysfunctions were investigated in the triple-transgenic murine model of Alzheimer's disease (3x Tg-AD). In the social transmission of food preference test, 3x Tg-AD mice presented severe deficits in odor-based memory, without gross changes in general odor-ability. Ab and tau immunoreactivity was not observed in the primary processing regions for odor, the olfactory bulbs (OBs), whereas marked immunostaining was present in the piriform, entorhinal, and orbitofrontal cortex, as well as in the hippocampus. Our results suggest that the impairment in olfactory-based information processing might arise from degenerative mechanisms mostly affecting higher cortical regions and limbic areas, such as the hippocampus.

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The magnetic properties of diluted spinels Zn{sub 1-x}M{sub x}Fe{sub 2}O{sub 4} (M = Mg, Ni) systems have been studied by mean field theory, probability law and high-temperature series expansions method in the range 0 {<=} x {<=} 1. The exchange interactions are calculated by the first and second theory, respectively. The magnetic phase diagrams of Zn{sub 1-x}M{sub x}Fe{sub 2}O{sub 4} (M = Mg, Ni) are calculated by the high-temperature series expansions, combined with the Pade approximants method. The critical exponent associated with the magnetic susceptibility ({gamma}) is deduced.

British Library Electronic Table of Contents (United Kingdom)

Background: Thyroid-stimulating autoantibodies (TSAb) bind to the thyrotropin receptor (TSHR) extracellular domain, or ectodomain (ECD), comprising a leucine-rich repeat domain (LRD) linked by a hinge region to the transmembrane domain (TMD). The LRD (residues 22???260; signal peptide 1???21) contains two disulfide-bonded loops at its N-terminus. In the crystal structure of the isolated LRD complexed with human TSAb monoclonal antibody (mAb) M22, N-terminal disulfide loop 1 (residues 22???30) could not be determined because of crystal disorder. Nevertheless, present crystal structure data are interpreted to exclude a role for the LRD N-terminal disulfide loops in the TSAb epitope(s), contradicting prior functional evidence of a role for these loops in TSAb function. Materials and Methods: ...

Energy Technology Data Exchange (ETDEWEB)

A first-principles quasiparticle approach to the electronic excitation energies in crystals and at surfaces is described. The quasiparticle energies are calculated within the GW approximation for comparison with photoemission and other spectroscopic experiments. Applications of the method to bulk semiconductors and the Si(111)2[times]l, Ge(111)2[times]l. and H/Si(III) surfaces are presented. In both cases, significant self-energy corrections arising from many-electron effects to the excitation energies are found. Using atomic positions from total energy minimization, the calculated excitation energies explain quantitatively the experimental spectra. This approach thus provides an ab initio means for analyzing and predicting results from spectroscopic probes.

International Nuclear Information System (INIS)

The electronic structures of the set of molecular clusters of dielectric oxide crystals AWO4 (A = Pb, Cd, Zn), the sizes of which increase sequentially are ab-initio calculated by the Restricted Hartree-Fock (RHF) method. The results of calculations of molecular orbitals and energy dependences of partial densities of electronic states of different clusters are compared each to other and to experimental data. It is found that calculated electronic structures of the tungstate groups and cations which are surrounded in cluster by certain number of the nearest neighbor atoms of the crystals quite well represent the experimentally obtained value of the forbidden gap of corresponding AWO4 crystal. (authors)

Energy Technology Data Exchange (ETDEWEB)

Electrostatic fields of the order of 1 V/Angst, as they occur at field emission tips, are comparable to those experienced by valence electrons in atoms and molecules. Such fields are strong enough to induce a significant redistribution of the valence charge in chemical bonds. In this work we investigate the effects on the electronic properties of a single adatom on a metal surface induced by the presence of an electrostatic field. In particular we present the results of a full ab initio DFT calculation, within the embedding method, of the CCV Auger spectra of Si and Mg atoms in and on a jellium-Ag host. Differently from impurities in bulk, Auger spectral profiles of adsorbates on metal surfaces can show notable modifications due to the applied electric field.

Energy Technology Data Exchange (ETDEWEB)

The emission of air pollutants from road vehicles is the most significant source of air pollution in towns. The chemical composition of these pollutive substances is dependent on the fuel, the type of vehicle and the character of the traffic system. The pollution concentration was measured, (nitrogen oxides and carbon monoxide) in relation to each type of vehicle, in four streets in the Copenhagen area. The system of measurement used was the ''Operational Street Pollution Model'' (OSPM). Results are presented in the form of tables and charts. (AB) 11 refs.

International Nuclear Information System (INIS)

We have performed ab initio calculations on a wide range of small molecules, demonstrating the accuracy and flexibility of an alternative method for calculating the electronic structure of molecules, solids, and surfaces. It is based on the local-density approximation (LDA) for exchange and correlation and the nonlinear augmented-plane-wave method. Very accurate atomic forces are obtained directly. This allows for implementation of Car-Parrinello-like techniques to determine simultaneously the self-consistent electron wave functions and the equilibrium atomic positions within an iterative scheme. We find excellent agreement with the best existing LDA-based calculations and remarkable agreement with experiment for the equilibrium geometries, vibrational frequencies, and dipole moments of a wide variety of molecules, including strongly bound homopolar and polar molecules, hydrogen-bound and electron-deficient molecules, and weakly bound alkali and noble-metal dimers, ...

International Nuclear Information System (INIS)

The new nonlinear optical crystal Rb3V5O14 has been synthesized by solid state reaction and characterized by single-crystal X-ray diffraction, IR and thermogravimetric analysis. The crystal Rb3V5O14 crystallizes in the trigonal system with space P31m (No. 157), a=b=8.7134(12) A, c=5.2807(11) A and ?=90o, ?=90o, ?=120o, Z=1, ?=3.516 g/cm3. It is a layered structure that is very flat and strongly parallel to c. The V5O14 layer structure consists of corner-linked square and triangular pyramids. The layers are separated by Rb+ ions, which fit equally well on the V5O14 layer. The Kurtz powder SHG measurement, using 1064 nm radiation, showed that the second-harmonic generation efficiency of Rb3V5O14 is about two times that of KDP. -- Graphical abstract: The new nonlinear optical crystal Rb3V5O14 has been synthesized by solid state reaction and characterized by single-crystal X-ray diffraction, IR and thermogravimetric analysis. The crystal Rb3V5O14 crystallizes in the ...

International Nuclear Information System (INIS)

Radioisotopes of Pb(II) have been of some interest in radioimmunotherapy and radioimmunoimaging (RII). However, the absence of a kinetically stable bifunctional chelating agent for Pb(II) has hampered its use for these applications. "2"0"3Pb (T_1_/_2=52.02 h) has application potential in RII, with a #gamma#-emission that is ideal for single photon emission computerized tomography, whereas "2"1"2Pb (T_1_/_2=10 h) is a source of highly cytotoxic #alpha#-particles via its decay to its "2"1"2Bi (T_1_/_2=60 min) daughter. The synthesis of the novel bifunctional chelating agent 2-(4-isothiocyanotobenzyl)-1,4,7,10-tetraaza-1,4,7,10-tetra-(2-carbamoyl methyl)-cyclododecane (4-NCS-Bz-TCMC) is reported herein. The Pb[TCMC]"2"+ complex was less labile to metal ion release than Pb[DOTA]"2"- at pH 3.5 and below in isotopic exchange experiments. In addition to increased stability to Pb"2"+ ion release at low pH, the bifunctional TCMC ligand was found to have many other advantages over the ...

Science.gov (United States)

The complexity and diversity of the microbial communities in biogranules from an upflow anaerobic sludge blanket (UASB) bioreactor were determined in response to short-term changes in substrate feeds. The reactor was fed simulated brewery wastewater (SBWW) (70% ethanol, 15% acetate, 15% propionate) for 1.5 months (phase 1), acetate / sulfate for 2 months (phase 2), acetate-alone for 3 months (phase 3), and then a return to SBWW for 2 months (phase 4). Performance of the reactor remained relatively stable throughout the experiment as shown by COD removal and gas production. 16S rDNA, methanogen-associated mcrA and sulfate reducer-associated dsrAB genes were PCR amplified, then cloned and sequenced. Sequence analysis of 16S clone libraries showed a relatively simple community composed mainly of the methanogenic Archaea (Methanobacterium and Methanosaeta), members of the Green Non-Sulfur (Chloroflexi) group of Bacteria, followed by fewer numbers of Syntrophobacter, ...

Energy Technology Data Exchange (ETDEWEB)

We have developed a kinetic Monte Carlo (kMC) simulator that links atomic migration and binding energies determined primarily from first principles calculations to macroscopic phenomena and laboratory time scales. Input for the kMC simulation is obtained from a combination of ab initio planewave pseudopotential calculations, molecular dynamics simulations, and experimental data. The simulator is validated against an extensive series of experimental studies of the diffusion of B spikes in self-implanted Si. The implant energy, dose, and dose rate, as well as the detailed thermal history of the sample, are included. Good agreement is obtained with the experimental data for temperatures between 750 and 950 C and times from 15 to 255 s. At 1050o C we predict too little diffusion after 105 s compared to experiment: apparently, some mechanism which is not adequately represented by our model becomes important at this temperature. Below 1050o C, the kMC simulation produces ...

Science.gov (United States)

In 1999, RECONS (Research Consortium on Nearby Stars) began gathering astrometric data using the CTIO 0.9m under the auspices of the NOAO Surveys Program. In 2003, SMARTS began operating the 0.9m and the program continued, with an enhanced ability to acquire long-term astrometric series on the nearest stars. With over a decade of milli-arcsecond astrometry for hundreds of red dwarfs within 25 pc, we now have a rich dataset in which to search for previously unknown stellar, substellar, and planetary companions. We can also use our data to better constrain the orbits of known binaries to reduce their mass errors to less than a few percent, and consequently test astrophysical models as never before. Here we present our orbit fitting analysis of M dwarfs that show clear evidence of gravitational perturbations due to unseen companions, after solving for their proper motion and parallax signals. We show discoveries such as LHS 3738AB, found for the first time to have a ...

Energy Technology Data Exchange (ETDEWEB)

(12/11)CASSCF and (12/11)CASPT2 ab initio electronic structure calculations with both the cc-pVDZ and cc-pVTZ basis sets find that there is a barrier to the very exothermic hydrogen shift that converts singlet methylnitrene, CH{sub 3}N, to methyleneimine, H{sub 2}C{double{underscore}bond}NH. These two energy minima are connected by a transition structure of C{sub s} symmetry, which is computed to lie 3.8 kcal/mol above the reactant at the (12/11)CASPT2/cc-pVTZ//(12/11)CASSCF/cc-pVTZ level of theory. The (12/11)CASSCF/cc-pVTZ value for the lowest frequency vibration in the transition structure is 854 cm{sup {minus}1}, and CASPT2 calculations concur that this a{double{underscore}prime} vibration does indeed have a positive force constant. Thus, there is no evidence that this geometry is actually a mountain top, rather than a transition structure, on the global potential energy surface or that a C{sub 1} pathway of lower energy connects the reactant to the product. ...

International Nuclear Information System (INIS)

The central benzodiazepine receptor tracer [N-methyl-"1"1C]iomazenil (Ro 16-0154) was synthesized by alkylation of the desmethyl precursor noriomazenil with ["1"1C]methyl iodide. The ["1"1C]CH_3I (prepared by reduction of ["1"1C]CO_2 with LiAlH_4 followed by reaction with HI) was reacted with noriomazenil inN,N -dimethylformamide and Bu_4N"+OH"- for 1 min at 80 deg. C and purified by HPLC (C_1_8, 34% CH_3CN/H_2O, 7 mL/min). The product was obtained with synthesis time 35 #+-# 5 min (mean #+-# SD, n = 7), radiochemical yield (EOB) 36 #+-# 16%, radiochemical purity 99 #+-# 1%, and specific activity 5100 #+-# 2800 mCi/#mu#mol. Absorbed radiation doses were calculated from previously acquired human biodistribution data. The urinary bladder wall received the highest dose (0.099 mGy/MBq) for 4.8 h voiding interval and the effective dose equivalent was 0.015 mSv/MBq. After i.v. injection of ["1"1C]iomazenil in an adult baboon or healthy human volunteer, radioactivity ...

International Nuclear Information System (INIS)

The sequence segment 181-200 of the Torpedo nicotinic acetylcholine receptor (nAChR) #alpha#subunit forms a binding site for #alpha#-bungarotoxin (#alpha#-BTX). Synthetic peptides corresponding to the homologous sequences of human, calf, mouse, chicken, frog, and cobra muscle nAChR #alpha#1 subunits were tested for their ability to bind "1"2"5I-#alpha#-BTX, and differences in #alpha#-BTX affinity were determined by using solution (IC_5_0s) and solid-phase (K_ds) assays. Panels of overlapping peptides corresponding to the complete #alpha#1 subunit of mouse and human were also tested for #alpha#-BTX binding, but other sequence segments forming the #alpha#-BTX site were not consistently detectable. The role of a putative vicinal disulfide bound between Cys-192 and -193, relative to the Torpedo sequence, was determined by modifying the peptides with sulfhydryl reagents. Reduction and alkylation of the peptides decreased #alpha#-BTX binding, whereas oxidation of the ...

International Nuclear Information System (INIS)

A study on oxygen-plasma treatment of ink-jet paper is presented. Paper was exposed to a weakly ionized, highly dissociated oxygen plasma with an electron temperature of 5 eV, a positive-ion density of 8 x 1015 m-3 and a density of neutral oxygen atoms of 5 x 1021 m-3. Optical emission spectroscopy (OES) was applied as a method for detection of the reaction products during the plasma treatment of the paper. OES spectra between 250 and 1000 nm were measured continuously during the plasma treatment. The wettability of the samples before and after the plasma treatment was determined by measuring the contact angle of a water drop. The appearance of the surface-functional groups was determined by using high-resolution x-ray photoelectron spectroscopy (XPS), while changes in the surface morphology were monitored with scanning electron microscopy (SEM). Already after 1 s of the plasma treatment the surface, which was originally hydrophobic, changed to hydrophilic, as indicated by a high ...

Energy Technology Data Exchange (ETDEWEB)

The diminishing clean oil reserve is driving the search for new or improved ways to reduce the level of NSO-containing species found in high abundance in heavy crude oils. Hydrotreatment is the currently preferred technique to remove those polar species. Unfortunately, nitrogen-containing compounds cause coke formation on the surface of the hydrotreatment catalyst, leading to partial or complete deactivation. Here, positive- and negative-ion electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) identify those nitrogen compounds that resist hydrotreatment. ESI preferentially ionizes polar (e.g., heteroatom-containing) species: basic molecules are detected as positive ions and acidic/neutral molecules as negative ions. FT-ICR MS resolves thousands of species in a single mass spectrum, allowing for unambiguous determination of elemental composition, C{sub c}H{sub h}N{sub n}O{sub o}S{sub s}, for identification of compound ...

Energy Technology Data Exchange (ETDEWEB)

The receptor occupancy-biological effect relationship for muscarinic receptors in guinea pig ileal smooth muscle has been studied by comparison of radioligand binding and contractile response. Muscarinic receptors in homogenates of ileal smooth muscle were labeled with (/sub 3/H)-1-Quinuclidinyl benzilate. Treatment with propylbenzilylcholine mustard (PrBCM), to inactivate irreversibly muscarinic receptors, caused a large dose dependent rightward shift of the dose-response curve to three agonistic furtrethonium derivatives with a concomitant decrease in maximal response. Using those data, the fraction of receptors remaining unoccupied (q-values) and true affinity constants (-log K/sub A/-values) were calculated. Exposure to 20 or 60 nM PrBCM for 15 minutes resulted in a 39% and a 61% reduction in specific (/sup 3/H)-1-Quinuclidinyl benzilate binding sites respectively to be compared with a 62% and a 85% decrease expected from calculated q-values. K/sub A/-values for the methyl and ...

Energy Technology Data Exchange (ETDEWEB)

Mixed-convection phenomena can occur within liquid-dominated geothermal reservoirs due to interactions of injected flows, or ground-water flows, with the buoyancy-induced fluid motion. This problem was studied experimentally and numerically for the case of opposing flows about a vertical heat source in a liquid-saturated porous medium. The ratio of the Rayleigh number (Ra) to the Peclet number (Pe) was identified as the nondimensional parameter which characterizes the relative influence of buoyancy-driven to pressure-gradient-driven fluid motion. The transition from mixed to forced convection was numerically determined to be (Ra/Pe) approx. = -0.5, where the minus sign denotes superimposed downflow. Agreement between measured and predicted thermal-field results showed that the finite-element code of Gartling and Hickox (1982 a,b) can be used to model low-temperature (single-phase) geothermal reservoirs throughout the natural, mixed, and forced convection regimes. 9 ...

British Library Electronic Table of Contents (United Kingdom)

We carried out theoretical analyses based on ab initio calculations incorporates in which free energy of the vapor phase is incorporated in order to determine the initial growth kinetics of c-GaN on GaN(001)-(4x1). The feasibility of the theoretical approach had been confirmed by calculations of Ga adsorption-desorption transition temperature and transition beam equivalent pressures on the GaAs(001)-(4x2)b2 surface in our previous work [Y. Kangawa, T. Ito, A. Taguchi, K. Shiraishi, T. Ohachi, Surf. Sci. 493 (2001) 178]. The results of calculations suggest that no Ga adsorption occurs on the initial surface under typical growth conditions but that a Ga adsorption site appears after N adsorption on GaN(001)-(4x1). That is, in the initial growth stage of c-GaN on GaN(001)-(4x1), a N-adsorbed ...

Energy Technology Data Exchange (ETDEWEB)

The BMW four-cylinder two-valve engine was first launched in September 1987 as a 1.8 l engine and was described in detail in [1]. After initial optimisation for model year 94, four years later the engine has undergone a complete technical revision. From model year 98, the four-cylinder two-valve engine with appropriate exhaust emission technology will satisfy the EU3 class for exhaust emissions. (orig.) [Deutsch] Der BMW Vierzylinder-Zweiventilmotor wurde im September 1987 als 1,8-l-Motor erstmals vorgestellt und in [1] ausfuehrlich beschrieben. Nach einer ersten Optimierungsueberarbeitung zum Modelljahr 1994 wurde nun eine grundlegende technische Ueberarbeitung vorgenommen. Der Vierzylindermotor mit Zweiventiltechnik erfuellt als Antriebsaggregat in Verbindung mit einer entsprechenden Abgastechnik bereits ab Modelljahr 1998 die EU 3-Stufe fuer Abgasemissionen. (orig.)

International Nuclear Information System (INIS)

A new three-dimensional treatment planning system (TPS) based on convolution/superposition algorithms (TMS-Radix from HELAX AB, Uppsala, Sweden) was recently installed at the University Hospital in Lund. The purpose of the present study was to design a quality assurance and acceptance testing programme to meet the specific characteristics of this convolution model. The model is based on parametrization of a non-measurable quantity - the polyenergetic pencil beam. However, the verification of the treatment planning model is still dependent on numerous comparisons of measured depth-doses and dose profiles. The test programme was divided in two basic parts: (i) model implementation and beam data consistency and (ii) model performance and limitations in special situations. The first part was scheduled for all photon beam qualities available before they could be used for clinical treatment planning. The second part was performed for selected energies only. The results ...

CERN Document Server

The origin of life and the origin of the universe represent two of the most important problems of science. Both are resolved by hydro-gravitational dynamics (HGD) cosmology (Gibson 1996, Schild 1996, Gibson 2009ab), which predicts frozen primordial hydrogen-helium gas planets in clumps as the dark matter of galaxies. Merging Earth-mass planets formed stars, moons and comets to incubate and cosmically seed the first life. Cometary panspermia (Hoyle and Wickramasinghe 1981, 1982; Wickramasinghe et al. 2009) occurs naturally by HGD mechanisms. Comets and moons are fragments from mergers of stardust covered frozen gas planets in their step-wise growth to star mass. Supernovae from stellar over-accretion of planets produce stardust (C, N, O, P etc.) chemical fertilizer. Planets collect this infected radioactive dust gravitationally, to provide liquid water domains in contact with life nutrients seeded with life prototypes. The first mutating, evolving, life from HGD ...

Energy Technology Data Exchange (ETDEWEB)

A century of technical development put steam turbines on a high level regarding efficiency and reliability. This procedure is still ongoing. The technological-commercial point of view - influenced intensively by liberalisation of the energy-market - makes great demands on field services. Well suited concepts in service and modernization are the solutions, as shown in NPP Emsland upgrade. [German] Ein Jahrhundert technischer Entwick lung brachte Dampfturbinen auf ein hohes Niveau bezueglich Effizienz und Zuverlaessigkeit. Dieser Vorgang ist auch in der heutigen Zeit nicht ab geschlossen. Die technologisch-wirtschaftliche Betrachtungs weise '' von der Liberalisierung des Strommarktes intensiv beeinflusst '' stellt dementsprechend hohe Anforderungen auch an den Kraftwerksservice. Massgeschneiderte Modernisierungs- und Servicekonzepte sind die Antwort, wie das Beispiel Kernkraftwerk Emsland zeigt. (orig.)

International Nuclear Information System (INIS)

To define the prognostic factors after surgical resection and evaluate the effectiveness of Post Operative Radiotherapy (PORT) in cases with cholangiocarcinoma, 44 cases with proximal cholangiocarcinoma were examined. The mean observation period was 20.6 months, and the survival rates 1, 3 and 5 years after the resection were 79.9%, 59.8% and 39.3%, respectively. Univariate analysis revealed that the presence of lymph node metastasis and absence of PORT were significant poor prognostic factors. Multivariate analysis revealed that the absence of PORT was a significant poor prognostic factor. The survival rates for 1 and 3 years after the resection were 80.0% and 40.0% in the curable A/B and PORT (-) group, and 100% and 53.3% in curable C and PORT (+) group. There were no local reccurences in the pathologically classified hm2 and em2 patients who underwent PORT. Even when the surgical margin is positive for the carcinoma pathologically, it is possible to avoid local ...

Energy Technology Data Exchange (ETDEWEB)

The aim was to investigate conditions relating to the substitution of natural gas for part of the amount of cinders previously used as fuel in an existing cupola furnace used in an iron foundry. The process of retrofitting is described. The principle solution is that four gas burners are placed symmetrically around the furnace immediately above the melting zone. They are mounted in separate fire boxes in such a way that they point downwards in order to prevent the fire box being filled with materials from the furnace, which would cause damage to the burners. The burners are continuously controlled to produce an output of 720 - 2620 kW and with 0.5 - 1.5 excess air. This solution was successful although it was found necessary (in order to achieve a satisfactory quality of resulting molten material) to add extra cinders to the furnace resulting in a reduction of only 9% of total cinders used, instead of the hoped-for 15%. The melting temperature was stabilized to ca. 1518 degrees ...

British Library Electronic Table of Contents (United Kingdom)

Some kind of one-dimensional (1D) peanut-shaped fullerene polymers (PSFPs) exhibit metallic properties, but their occurrence conditions are not yet clarified. By using the VASP (Vienna ab-initio simulation package) with density functional theory (DFT) and projector augmented wave (PAW) method, we have performed first-principles electronic structure calculations of four basic 1D PSFPs, T1, T2, T6, and T7 (the name of T1-T6 is the same as that of Wang et al. [9]) and two associated 1D PSFPs, T1SW1 and T6SW that are created by generalized Stone-Wales transformation (GSW) from T1 and T6. We found that almost regular six-membered rings connected throughout the tube are necessary to get metallic properties for the 1D PSFPs, although there may be several other conditions to expect metallic proper...

CERN Document Server

Context. The I(15.01 A)/I(16.78 A) emission line intensity ratio in Fe XVII has been reported to deviate from its theoretical value in solar and stellar X-ray spectra. This is attributed to opacity in the 15.01 A line, leading to a reduction in its intensity, and was interpreted in terms of a geometry in which the emitters and absorbers are spatially distinct. Aims. We study the I(15.01 A)/I(16.78 A) intensity ratio for the active cool dwarf EV Lac, in both flare and quiescent spectra. Methods. The observations were obtained with the Reflection Grating Spectrometer on the XMM-Newton satellite. The emission measure distribution versus temperature reconstruction technique is used for our analysis. Results. We find that the 15.01 A line exhibits a significant enhancement in intensity over the optically thin value. To our knowledge, this is the first time that such an enhancement has been detected on such a sound statistical basis. We interpret this enhancement in terms of a geometry in ...

International Nuclear Information System (INIS)

Inner ring structures are observed in about one quarter of all lenticular or spiral galaxies. Statistics of the relative frequencies of the pure ring (r) and broken ring (rs) varieties in the Second Reference Catalogue (RC2) among the different families (A, AB, B) of lenticular (L) and spiral (S) galaxies at different stages (T) along the revised Hubble sequence are presented; selection effects dependent on classification weight, apparent diameter and axis ratio are discussed. Comparisons of ring diameters D/sub r/ listed in the (First) Reference Catalogue (RC1) with independent measurements of 43 barred systems by Kormendy show good systematic agreement with a standard deviation sigma_1_2(D/sub r/) = 0'.10 and individual relative mean errors sigma(D/sub r/)/ < D/sub r/ > approx. = 5%. Axis ratios are also in good agreement with sigma_1_2(b/a) = 0.06. Comparisons of axis ratios of rings and parent galaxies show systematic trends dependent on stage T; in ...

International Nuclear Information System (INIS)

In the presence of hydroxyl anion, both formaldehyde and glyoxal are known to undergo rearrangements involving intermolecular and intramolecular hydride transfer (the Cannizzaro and Benzilic acid rearrangements respectively). The authors report ab initio SCF-MO calculations of the transition state geometries, the activation barriers, and the hydrogen isotope effects for these two reactions. The structure of the transition state for the rection involving formaldehyde is usually basis set dependent, becoming more linear and symmetrical as the basis set size increases. In contrast, the analogous transition state for the glyoxal reaction involves a highly non-linear hydride transfer. They find the isotope effects to be quite low for the Cannizzaro reaction, and significantly larger for the non-linear benzilic acid rection, in apparent contradiction to Westheimer's suggestion the isotope effects reach a maximum for linear hydrogen transfers. Since this hypothesis does ...

Energy Technology Data Exchange (ETDEWEB)

Under the new name of ``geothermal heat pump``, ground-source heat pumps are currently high in demand in Northern America. In sectors characterized by heating and cold air demand, their advantages can be exploited to the full. For Germany, the end-use-energy substitution potential of geothermal heat pumps has been estimated at 1310-1470 PJ annually. Whether this potential can actually be exploited depends essentially on the development of energy prices, but also on the resourcefulness of plant and heat pump manufacturers in upgrading and cheapening geothermal heat pumps. (orig./RHM) [Deutsch] Unter der neuen Bezeichnung `Geothermal Heat Pump` erlebt die erdgekoppelte Waermepumpe z.Zt. in Nordamerika einen Verbreitungsschub. In dem durch Heiz- und Kuehlbedarf charakterisierten Umfeld kann sie Ihre Vorteile voll nutzen. Fuer Deutschland kommt eine Schaetzung zu einem Potential der erdgekoppelten Waermepumpen zur Substition von Endenergie von 1310-1470 PJ/a. Ob dieses Potential ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

The document gives statistics on the pollutive emissions from Danish power plants during the period 1987-1996, the main pollutants being sulphur dioxide, nitrogen oxides and carbon dioxide. Data on efficiency levels relative to the production of electricity and heating and on the power plants` contribution to the total emission of CO{sub 2}, NO{sub x}, and SO{sub 2} from energy consumption in Denmark, are presented, and also as corrected for the net import of electricity. Other data on the emission of each of these chemicals by power plants are presented as factual, and corrected in accordance with the net import of electricity, and as factual per consumed and produced energy unit at the power plants. Short notes on related Danish legislation are found in addition to information on sources, methods and definitions used as a basis for the production of this document. Emission from power stations is dependent on their energy consumption which is in turn controlled by the demand for ...

Energy Technology Data Exchange (ETDEWEB)

The contribution is concerned from a legal point of view with the systematic recording, classification and assessment of specific problems concerning the post-operational phase of a nuclear power plant. As an introduction, present experience with decommissioning in the Federal Republic of Germany is dealt with. The first part treats the factual side of section 7 III AtG, explains the terms mentioned, the concrete extent of licensing and priority relations. In part 2 the preconditions for licensing pursuant to section 7 III AtG are dealt with, the stipulations of which are made difficult in particular on account of the reference in section 7 III sentence 2 AtG. The third part is concerned with the legal consequence of section III AtG, i.e. the extent of official discretionary powers, whereby aspects of radioactive waste management carry great weight. In part four administrative and procedural particularities in the legal sense relating to licensing according to section III AtG are ...

Energy Technology Data Exchange (ETDEWEB)

The overall aim is to develope programme modules for a Danish integrated computer system for projecting buildings and to ensure that Danish programmes are compatible with international systems. The programmes to be integrated here were AutoCAD and SCRIBE-models and the simulation programme tsbi3 for the calculation of indoor climate conditions, power demand and energy consumption in buildings. For the calculation of humidity and temperature conditions in constructions a certain amount of integration is carried out with the MATCH programme (Moisture And Temperature calculations for Constructions of Hygroscopic materials). The activities embodied in the pilot projects are described in this working report in addition to the individual computer programmes and prototypes, and examples and diagrams are presented. The programmes included are a geometry programme for the calculation of areas, lengths and volumes, a programme for the calculation of heat losses in buildings and for moisture in ...

International Nuclear Information System (INIS)

The isostructural uranium monopnictides and monochalcogenides have become prototype systems in actinide research with respect to their unusual magnetic properties. We have investigated the origins in the electronic structure of the variation in magnetic behavior as the degree of 5f-electron localization changes from localized to itinerant on going up the pnictogen or chalcogen column, thus decreasing the U-U separation. We have applied a synthesis of: (1) A phenomenological theory of orbitally driven magnetic ordering which includes both the hybridization-induced and the RKKY exchange interactions on an equal footing, and (2) Ab initio electronic structure calculations, based on the linear-muffin-tin-orbital method, allowing a first-principles evaluation of the parameters entering the model Hamiltonian. We have investigated systematically characteristic trends and changes of the 5f-state resonance width, the hybridization potential, and the hybridization-induced ...

British Library Electronic Table of Contents (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

The aim was to gain experience on how to produce Alkali Metal Thermo-Electric-Converter (AMTEC) cells, for the demonstration of their principles and potentials, as a basis for future commercialization. These cells should be able to present an efficient and direct conversion of thermal energy to electric energy. The system is based on an electro-chemical concentration cell built around a {beta}`` aluminium oxide membrane that separates the two chambers. This material is a good conductor of sodium and a bad conductor of electrons, and it is this property which is taken advantage of. In the two chambers of the cell is found saturated sodium vapour at two temperatures. The motive power is the expansion over the membrane where the sodium ions are transported through it whilst the electrons are forced through the outer cycle. This concept is described in detail in addition to the choice of materials, performance testing and results. It was found possible to produce AMTEC electrodes via ...

Energy Technology Data Exchange (ETDEWEB)

Cationic five-coordinate [Pt(3-R{sup 1}-4-R{sup 2}-C{sub 6}H{sub 3})(MeCN) (6-Me-py-2-CH=NPh)(C{sub 2}H{sub 4})]{sup +} complexes (R{sup 1}, R{sup 2} = H, Me, OMe) undergo an unexpected rearrangement at 0{degrees}C in chloroform solution, affording, after treatment with aqueous LiCl, the neutral four-coordinate species [Pt(2-Et-4-R{sup 1}-5-R{sup 2}-C{sub 6}H{sub 2})Cl(6-Me-py-1-CH=NPh)]. Pt-C{sub aryl} bond breaking and making is involved in the whole process, resulting in a 1,2-shift of the platinum atom to an adjacent position of the benzene ring. The same compound is obtained, together with products deriving from a typical insertion, when an equimolar amount of ethylene is added to a chloroform solution of [Pt(3-R{sub 1}-4-R{sup 2}-C{sub 6}H{sub 3})(MeCN)(6-Me-py-2-CH=NPh)]{sup +} at 0{degrees}C. When higher ethylene/Pt ratios are used, only five-coordinate [Pt(3-R{sup 1}-4-R{sup 2}-C{sub 6}H{sub 3}CH{sub 2}CH{sub 2})Cl(6-Me-py-2-CH{double_bond}NPh)(C{sub 2}H{sub 4})] complex is ...

International Nuclear Information System (INIS)

The windmill industry in Denmark is currently confronted with making a choice between competing technologies so that the role of the stimulus of state subsidies for research has lately increased in importance. The Ministry of Energy, it is claimed, must be aware of this as possibilities for making use of research results are dictated by the market and competition. The industry is not sympathetic to the idea of state research contracts with specified goals for which manufacturers must produce a technical solution. Consultancy firms should work towards solving general problems which could help the industry as a whole. Wind turbines which are cheap to produce and operate are of more interest to industry than those which are technologically advanced or of a lighter construction. It is not thought to be advantageous to concentrate the allocation of subsidies on one key project chosen by the Ministry itself, such as the current intense interest in turbine blades. Aerodynamics, noise ...

International Nuclear Information System (INIS)

The in-plane resistivity, in-plane absolute thermopower, and upper critical field measurements are reported for single-crystal samples of YNi_2B_2C and LuNi_2B_2C superconductors. The in-plane resistivity shows metallic behavior and varies approximately linearly with temperature near room temperature (RT) but shows nearly quadratic behavior in temperature at low temperatures. The YNi_2B_2C and LuNi_2B_2C single-crystal samples exhibit large transverse magnetoresistance (#approx#6 8% at 45 kOe) in the ab plane. The absolute thermopower S(T) is negative from RT to the superconducting transition temperature T_c. Its magnitude at RT is a few times of the value for a typical good metal. S(T) is approximately linear in temperature between #approx#150 K and RT. Extrapolation to T=0 gives large intercepts (few #mu#V/K) for both samples suggesting the presence of a much larger knee than would be expected from electron-phonon interaction renormalization effects. The upper ...

Energy Technology Data Exchange (ETDEWEB)

In this work, ZnO thin films have been grown on glass substrates by using a solution of propanol (C{sub 3}H{sub 8}O), water (H{sub 2}O) and zinc acetate (Z{sub n}(CH{sub 3}CO{sub 2}){sub 2}) in acidified medium (pH 5). The obtained films were n doped with ytterbium (Yb) at the rates of 100, 200 and 300 ppm. The structural features of the doped films were investigated using XRD, atomic force microscopy and scanning electronic microscopy techniques. XRD analysis shows a strong (0 0 2) X-ray diffraction line for increasing Yb-doping amounts. This c-axis preferential orientation of ZnO crystallites is naturally required to use this oxide as transparent conductor in optoelectronic applications. Atomic force microscopy (AFM) analysis shows an enhancement in the surface roughness of the doped ZnO:Yb thin films. Optical measurements were performed in 300-1800 nm domain via transmittance T(lambda) and reflectance R(lambda) spectra. Conjoint optical and thermal properties were deduced from the ...

Science.gov (United States)

A factor which agglutinated the spores of Ceratocystis fimbriata in the presence of Ca2+ was purified from sweet potato (Ipomea batatas Lam cv. Norin[1]) root. Element composition of the purified factor was as follows; analysis found: C (29.8%), H (3.97%), O (65.34%), N (0.81%): calculated for C43H69O70N1: C (30.02%), H (4.01%), O (65.15%), N (0.81%). The factor was mainly composed of galacturonic acid (53% of dry weight) and contained arabinose, fucose, and unidentified component as minor components. The factor also agglutinated A-, B-, AB-, and O types of human erythrocytes to almost the same degree in the presence of Ca2+. The differential spore-agglutinating activity of the factor depended on the pH of the assay medium; it agglutinated similarly the germinated spores of sweet potato and coffee strains at pH 7.5 and 5.5, whereas it displayed a distinct differential agglutinating activity at pH 6.5. The factor was assayed for spore-agglutinating activity at pH ...

Energy Technology Data Exchange (ETDEWEB)

In the group of persistent aromatic hydrocarbons, the highest values were determined for polychlorinated biphenyls (PCB), total DDT and hexachlorobenzene (HBC). Comparisons of the relevant median values for the past six years led to the conclusion that the steep initial decline in the breast milk concentrations of DDT and HBC was followed by reductions at a much lower pace in the years after 1987. The time course of the concentration of the total PCB did not appear to follow any particular pattern. The mean contents of lead and cadmium remained by a wide margin below the threshold values for these heavy metals and thus were of no relevance from the toxicological point of view. It was found that the 134 and 137 cesium isotopes constituted no particular health hazard for breast-fed infants, as the relevant concentrations in breast milk were low. (VHE) [Deutsch] In der Gruppe der persistenten Chlorkohlenwasserstoffe werden die hoechsten Konzentrationen bei den polychlorierten Biphenylen ...

Science.gov (United States)

The gas-phase reaction of benzene with O(3P) is of considerable interest for modeling of aromatic oxidation, and also because there exist fundamental questions concerning the prominence of intersystem crossing in the reaction. While its overall rate constant has been studied extensively, there are still significant uncertainties in the product distribution. The reaction proceeds mainly through the addition of the O atom to benzene, forming an initial triplet diradical adduct, which can either dissociate to form the phenoxy radical and H atom, or undergo intersystem crossing onto a singlet surface, followed by a multiplicity of internal isomerizations, leading to several possible reaction products. In this work, we examined the product branching ratios of the reaction between benzene and O(3P) over the temperature range of 300 to 1000 K and pressure range of 1 to 10 Torr. The reactions were initiated by pulsed-laser photolysis of NO2 in the presence of benzene and helium buffer in a ...

Science.gov (United States)

The thermostable Thermus aquaticus DNA polymerase (Taq Pol) has been the key factor in transforming the initial PCR method into one with huge impact in molecular biology and biotechnology. Therefore, the development of effective affinity adsorbents for the purification of Taq Pol, as well as other DNA polymerases, attracts the attention of the enzyme manufacturers and the research laboratories. In this report we describe a simple protocol for the purification of Taq Pol from E. coli lysates, leading to enzymes of high specific activity and purity. The protocol is based on a single affinity chromatography step, featuring an immobilized ligand selected from a structure-biased combinatorial library of dNTP-mimetic synthetic ligands. The ligand library was screened for its ability to bind and purify Taq Pol from E. coli lysates. One immobilized ligand (mABSGu) of the general formula X-Trz-Y, bearing 9-aminoethylguanine (AEGu) and aniline-2-sulfonic acid (mABS) linked ...

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Noncollinear (NC) magnetism is common in nature, especially when there exist geometrical frustration and chemical imparity in the system. In this work we studied the NC magnetism and the response to external magnetic fields in surfaces and interfaces of transition metals by using an semi-empirical tight-binding (TB) method that parameterized to the ab initio TB-LMTO calculations. We implemented this method to study two systems. The first one is the system of 6 Mn monolayers on Fe(001) substrate. Due to the complex structure and magnetic properties of Mn, we found 23 collinear magnetic configurations but only one NC configuration. The collinear ground state has a layered antiferromagnetic (AFM) coupling which agrees with previous experiments and calculations. In the NC configuration the local AFM coupling in the Mn layers is preserved, but the surface is 90 degree coupled to the substrate. Similar to the experiment in CdCr{sub 2}O{sub 4}, we obtained a collinear ...

Energy Technology Data Exchange (ETDEWEB)

The reactions of CF{sub 3}O radicals with (1) NO and (2) NO{sub 2} were studied using two different experimental techniques. A laser photolysis/LIF detection method was applied for measuring the rate constants as a function of temperature (T=222-302 K) and total pressure (p{sub tot}=7-107 mbar). Whereas the reaction with (1) NO was found to be independent of temperature and pressure with k{sub 1}=(4.5{+-}1.2) x 10{sup -11} cm{sup 3}s{sup -1}, the reaction with (2) NO{sub 2} was found to be dependent on both of these variables. The temperature dependence of k{sub 2} in the high pressure limit can be given by the expression k{sub 2{infinity}}{sup -}(T)=(8{+-}5) x 10{sup -13} exp ((863{+-}194) K/T) cm{sup 3}s{sup -1}. The product distributions of the two reactions were determined in separate experiments using steady-state photolysis combined with FTIR spectroscopy. For reaction (1) only CF{sub 2}O was found as a reaction product with a yield of 0.93{+-}0.10, independent of temperature. ...

International Nuclear Information System (INIS)

The implementation of a three-dimensional conformal radiotherapy facility in the radiotherapy department of the Heinrich Heine University is described. Complex radiotherapy techniques with commercially available networked systems are introduced to improve clinical work. Over 18 month we have gained clinical experience with a PHILIPS Multileaf Collimator (MLC) mounted on a SL 25 linear accelerator. For a limited period the MLC was used as a conventional blocking device. The standard MLC-shapes are controlled with a stand-alone computer system. In addition, a three-dimensional treatment planning system (3-D-TPS / TMS-Radix, Helax AB) based on convolution/superposition algorithms was recently installed. Treatment optimization is achieved using static field arrangements with complete volumetric computerized tomographic patient data for 3-D-TPS. Conformal adaptation of the 95%-isodose to the Planning Target Volume (PTV, ICRU 50) results in MLC-field-shaping concerning ...

CERN Document Server

We performed a spectroscopic galaxy survey, complete to $m_{F814W}\\leq20.3$ ($L_B>0.15L_B^{\\star}$ at z=0.3), within 100x100'' of the quasar Q1127-145 ($z_{em}=1.18$). The VLT/UVES quasar spectrum contains three $z_{abs}<0.33$ MgII absorption systems. We obtained eight new galaxy redshifts, adding to the four previously known, and galaxy star formation rates (SFRs) and metallicities were computed where possible. A strong MgII system [$W_r(2796)=1.8$A], which is a known damped Ly$\\alpha$ absorber (DLA), had three previously identified galaxies; we found two additional galaxies associated with this system. These five galaxies form a group with diverse properties, such as a luminosity range of $0.04\\leq L_B\\leq0.63 L_B^{\\star}$, an impact parameter range of $17\\leq D \\leq 241$ kpc and velocity dispersion of $\\sigma$=115 km/s. The DLA group galaxy redshifts span beyond the 350 km/s velocity spread of the metallic absorption lines of the DLA itself. The ...

Energy Technology Data Exchange (ETDEWEB)

The required introduction of on board diagnosis II in the USA from the 94 models onward has led vehicle manufacturers and system suppliers to develop corresponding diagnosis processes at the beginning of the 1990`s. These systems are now in mass production for TLEV and partly for LEV requirements. Based on experience from the wide use of these functions, new knowledge has been obtained, which must be taken into account in the development of future systems. The additionally more severe emission and diagnosis requirements make further minimisation of the overall tolerances on the one hand, and a revision of the existing diagnosis algorithms necessary. In parallel with this, the Law must create the necessary outline conditions, where the requirements for the vehicle manufacturer and system suppliers must also be met. The OBD II development must therefore certainly not be regarded as complete. [Deutsch] Die in den USA ab Modelljahr `94 geforderte Einfuehrung der On ...

Energy Technology Data Exchange (ETDEWEB)

The aim was to compare the energy consumption by private and commercial vehicles with that of public transport facilities constituting urban street traffic, and to evaluate the influence of various traffic related plans such as green waves (where cars are able to drive through the town with relatively few accelerations and braking) streets with lower speed limits and special lanes and priorities for buses. The traffic pattern in four Copenhagen streets (Jagtvej, Soelvgade, Bredgade and Strandvejen) were measured and analyzed both in, and not in, the rush hour, and a special model was used to calculate the energy consumption. The model defines degree of acceleration and slow-down and speed when calculating energy consumption with regard to various driving patterns. It also calculates carbon dioxide emission. It was found that energy consumption decreased with increasing driving speed at 10-60 km/h for all vehicles. The case of buses is a little different because of having to stop so ...

Energy Technology Data Exchange (ETDEWEB)

A massively-parallel ab initio computer code, which uses Gaussian bases, pseudopotentials, and the local density approximation, permits the study of transition-metal systems with literally hundreds of atoms. We present total energies and relaxed geometries for Ru, Pd, and Ag clusters with N = 55, 135, and 140 atoms; we also used the DMOL code to study 13-atom Pd and Cu clusters, with and without hydrogen. The N = 55 and 135 clusters were chosen because of simultaneous cubo-octahedral (fcc) and icosahedral (icos) sub-shell closings, and we find icos geometries are preferred. Remarkably large compressions of the central atoms are observed for the icos structures (up to 6% compared with bulk interatomic spacings), while small core compressions ({approx} 1 %) are found for the fcc geometry. In contrast, large surface compressive relaxations are found for the fcc clusters ({approx} 2-3% in average nearest neighbor spacing), while the icos surface displays small ...

Energy Technology Data Exchange (ETDEWEB)

To establish the optimum barium-based reduced-laxative tagging regimen prior to CT colonography (CTC). Ninety-five subjects underwent reduced-laxative (13 g senna/18 g magnesium citrate) CTC prior to same-day colonoscopy and were randomised to one of four tagging regimens using 20 ml 40%w/v barium sulphate: regimen A: four doses, B: three doses, C: three doses plus 220 ml 2.1% barium sulphate, or D: three doses plus 15 ml diatriazoate megluamine. Patient experience was assessed immediately after CTC and 1 week later. Two radiologists graded residual stool (1: none/scattered to 4: >50% circumference) and tagging efficacy for stool (1: untagged to 5: 100% tagged) and fluid (1: untagged, 2: layered, 3: tagged), noting the HU of tagged fluid. Preparation was good (76-94% segments graded 1), although best for regimen D (P = 0.02). Across all regimens, stool tagging quality was high (mean 3.7-4.5) and not significantly different among regimens. The HU of layered tagged fluid was ...

Energy Technology Data Exchange (ETDEWEB)

Non-edible filtered high viscous (72 cSt at 40{sup o}C) and high acid value (44 mg KOH/gm) polanga (Calophyllum inophyllum L.) oil based mono esters (biodiesel) produced by triple stage transesterification process and blended with high speed diesel (HSD) were tested for their use as a substitute fuel of diesel in a single cylinder diesel engine. HSD and polanga oil methyl ester (POME) fuel blends (20%, 40%, 60%, 80%, and 100%) were used for conducting the short-term engine performance tests at varying loads (0%, 20%, 40%, 60%, 80%, and 100%). Tests were carried out over entire range of engine operation at varying conditions of speed and load. The brake specific fuel consumption (BSFC) and brake thermal efficiency (BTE) were calculated from the recorded data. The engine performance parameters such as fuel consumption, thermal efficiency, exhaust gas temperature and exhaust emissions (CO, CO{sub 2}, HC, NOx, and O{sub 2}) were recorded. The optimum engine operating condition based on ...

International Nuclear Information System (INIS)

Anti-carcinoembryonic antigen monclonal antibody (MAb) CEA 102 was produced by immunization with purified CEA and the specific accumulation of radiolabeled CEA 102 in colorectal cancers was investigated by autoradiography of sugical specimens using Fuji Computed Radiography (FCR). Five patients with colorectal cancer were injected intravenously with "1"3"1I-labeled intact CEA 102 or its F(ab')_2. Primary tumor and liver metastases were successfully detected by external scanning with a gamma camera in 4 cases. Autoradiographic study of the surgical specimens using FCR showed predominant localization of "1"3"1I-labeled CEA 102 in primary tumors and liver metastases in all cases. Even a small liver metastasis (0.5 cm) was clearly visualized in the autoradiogram by FCR. The pixel distribution curves of the density of the respective tissues in the autoradiograms by FCR showed the heterogeneity of the distribution of administreted radiolabeled MAb in individual tumors, ...

International Nuclear Information System (INIS)

Ab initio total energy calculations within the framework of density functional theory have been performed for water molecule adsorption on the (0001) surface of double hexagonal packed americium using a full-potential all-electron linearized augmented plane wave plus local orbitals method (FP-L/APW+lo). Subsequent partial dissociation (OH+H) and complete dissociation (H+O+H) of the water molecule have been examined. The completely dissociated H+O+H configuration exhibit the strongest binding with the surface (3.35 eV), followed by partially dissociated species OH+H (2.23 eV), with all molecular H_2O configurations showing weak physisorption (0.366 eV). For molecular adsorptions, the flat lying orientation of the water molecule if found to be more favorable for majority of the cases. In the case of partial dissociation (OH+H), the vertical orientation of OH molecule with O facing the surface adsorbed at a h3 adsorption site and the H atom adsorbed at another ...

International Nuclear Information System (INIS)

The spike (S) protein of severe acute respiratory syndrome coronavirus (SARS-CoV) has two major functions: interacting with the receptor to mediate virus entry and inducing protective immunity. Coincidently, the receptor-binding domain (RBD, residues 318-510) of SAR-CoV S protein is a major antigenic site to induce neutralizing antibodies. Here, we used RBD-Fc, a fusion protein containing the RBD and human IgG1 Fc, as a model in the studies and found that a single amino acid substitution in the RBD (R441A) could abolish the immunogenicity of RBD to induce neutralizing antibodies in immunized mice and rabbits. With a panel of anti-RBD mAbs as probes, we observed that R441A substitution was able to disrupt the majority of neutralizing epitopes in the RBD, suggesting that this residue is critical for the antigenic structure responsible for inducing protective immune responses. We also demonstrated that the RBD-Fc bearing R441A mutation could not bind to soluble and ...

Energy Technology Data Exchange (ETDEWEB)

An essential issue in gallium (Ga)-stabilized fcc-phase plutonium ({delta}-Pu) is the formation of helium (He) voids and bubbles emanating from the radiolytic decay of the Pu. The rate of formation of He voids and bubbles is related to the He-defect formation energies and their associated migration barriers. The size and shape distributions of the bubbles are coupled to these critical migration processes. The values of the defect formation energies, internal pressure, and migration barriers can be estimated from atomistic calculations. Complicating this picture is the destruction of He-filled voids and bubbles by subsequent radiolytic decay events. The present study concerns the construction of the necessary potential energy surfaces for the Pu-He and He-He interactions within the modified embedded atom method (MEAM). Once fully tested, the potentials will be used to estimate the He-defect formation energies and barriers to the migration of these defects for both interstitial and ...

Energy Technology Data Exchange (ETDEWEB)

The in-plane resistivity, in-plane absolute thermopower, and upper critical field measurements are reported for single-crystal samples of YNi{sub 2}B{sub 2}C and LuNi{sub 2}B{sub 2}C superconductors. The in-plane resistivity shows metallic behavior and varies approximately linearly with temperature near room temperature (RT) but shows nearly quadratic behavior in temperature at low temperatures. The YNi{sub 2}B{sub 2}C and LuNi{sub 2}B{sub 2}C single-crystal samples exhibit large transverse magnetoresistance ({approx}6{endash}8{percent} at 45 kOe) in the ab plane. The absolute thermopower S(T) is negative from RT to the superconducting transition temperature T{sub c}. Its magnitude at RT is a few times of the value for a typical good metal. S(T) is approximately linear in temperature between {approx}150 K and RT. Extrapolation to T=0 gives large intercepts (few {mu}V/K) for both samples suggesting the presence of a much larger {open_quotes}knee{close_quotes} than ...

International Nuclear Information System (INIS)

Sr3In0.9Co1.1O6, isostructural to Ca3Co2O6, is revealed by the study of the phase relations in the system SrO-InO1.5-CoOx (1000 oC). The structure of Sr3In0.9Co1.1O6 is refined by the combination of powder X-ray and neutron diffraction. Sr3In0.9Co1.1O6 crystallizes in a trigonal lattice with the cell parameters a=b=9.59438(3) A, c=11.02172(4) A with the space group R-3c. Its structure possesses 1D (In/Co)O3 chains running along the c-axis constructed by alternating face-sharing CoO6 octahedra and (In0.9Co0.1)O6 trigonal prisms. The co-occupation of In3+ and Co3+ at the trigonal prismatic site is evidenced by elementary analysis and determined by the structure refinement. Sr3In0.9Co1.1O6 is paramagnetic, and the susceptibility is consistent with the occupation of Co3+ at 10% of the trigonal prismatic positions in a high spin state (HS, S=2). The HS Co3+ is well separated by diamagnetic CoO6 octahedra and InO6 trigonal prisms and shows a g factor of 2.0 in the ...

Energy Technology Data Exchange (ETDEWEB)

Nickel-based alloys are presently used as brazing filler metals for components which undergo mechanical stress in corrosive conditions, f. e. heat exchangers. When soldering chrome containing steel parts with nickel based brazing filler metals additionally containing boron and silicon a reaction of chrome and boron can occur. This evolution of chromium borides, depositing on grain boundaries, causes a lack of chrome in the steel part. A drop of the chrome content in the parts below 13 % leads to a loss of corrosion resistance. It is possible to change the microstructure of brazing joints by modification with chromium and molybdenum. Continuous brittle phases could be successfully avoided with this modification. Furthermore it could be shown that the choice of additives, the heating respectively cooling rate and the brazing temperature have important influence on the microstructure evolution and therefore on the mechanical and corrosive properties of joints. (Abstract Copyright [2008], ...

Energy Technology Data Exchange (ETDEWEB)

The first commercial vehicle, built by Gottlieb Daimler in Cannstatt (Germany), head foto, had been the begin of a new transport technology around the world. Benz had been consolidated 1926 with Daimler to the Daimler-Benz AG with a new vehicle programme; all trucks over 5 t payload would be powered since 1935 by diesel engines only. Worldwide all-wheel drived vehicles had been under development for different purposes. After 1945 the European Automobil industry launched at first former types followed by new designed and improved types. The eight-wheeler used since the twentees in England conquered Switzerland, and in 1984 Germany too. The development of gear boxes and drive axles had been influenced on the drive train demands depending of the engine output and speed and the increased GTW. The future of the commercial vehicles will be determined by the European legislation, higher economy and reduced-pollutant Euro II and later Euro III engines, further by the cooperation of the truck ...

Energy Technology Data Exchange (ETDEWEB)

The buckling test program comprised 37 axially loaded cylinders made of austenitic stainless steels and 6 reference cylinders made of mild steel. The three test parameters were the steel grade, the shell slenderness and the operating temperature. The chosen steel grades are typical for practical applications: AISI 304 (No. 1.4301) as the basic austenitic stainless steel, AISI 316 L (No. 1.4404) as a molybdenum alloyed and AISI 316 Ti (No. 1.4571) as a molybdenum and titanium alloyed austenitic stainless steel. The chosen shell slendernesses are typical for the above-mentioned elastic-plastic region: r/t=50, 150 and 400, approximately corresponding to non-dimensional slenderness parameters {lambda}=0.3, 0.5 and 0.9 respectively. The chosen testing temperatures cover a wide range of applications: T=20 C, 100 C, 250 C and 400 C. The test cylinders were manufactured from 3.0 mm, 1.0 mm and 0.5 mm steel sheets, cold rolled into the cylindrical shape and longitudianlly TIG-welded. The radii ...

International Nuclear Information System (INIS)

Complete text of publication follows. We have published on the spectroscopic study on the formation of a 1:1 molecular complex of fluoranthene (F) with benzene (B) in cyclohexane and estimated the equilibrium constant K(F-B) (0.147 dm3 mol-1 at 298 K), enthalpy change DH(F-B) (-5.9 kJ mol-1) and entropy change DS(F-B) (-36 JK-1mol-1 at 298 K) for this complex formation (S. Enomoto et al., Bull. Chem. Soc. Jpn., 75 (2002) 689-693). In this study, the electronic absorption spectra have been observed for the fluoranthene derivatives in cyclohexane-benzene and/or cyclohexane-ethanol mixed solvents to investigate the weak intermolecular interactions between fluoranthene derivatives and benzene or ethanol. The electronic absorption spectra of 3-aminofluoranthene (AF) in the mixed solvent mentioned above showed isosbestic points with varying B and ethanol (E) concentrations. These observations indicate that AF forms a 1:1 molecular complex with B or E, the K(AF-B) and K(AF-E) values for these ...

Energy Technology Data Exchange (ETDEWEB)

From autumn this year, the FRJ-2 of the Research Center Juelich will be supplying molybdenum targets to the Institut National des Radioelements in Fleurus, Belgium - which deals in medical radio-isotopes worldwide - thus helping to meet the need for technetium-99, which is used in the medical profession for diagnostic purposes because of its favourable radiological characteristics. Technetium-99 is formed as a result of the radioactive decay of molybdenum-99. For many years now, molybdenum has been produced by the irradiation of uranium in research reactors, so that the initiation of molybdenum production in the FRJ-2 is not especially new. What is unusual, however, are the particular peripheral conditions which result from the combination of the irradiation requirements, a predetermined target design and the technical characteristics of the reactor and which necessitated special solutions. This applies especially to the handling of the targets after irradiation, which is much more ...

Energy Technology Data Exchange (ETDEWEB)

1. In order to carry out isothermic crystal growth experiments of YBCO the 123 primary crystallization field was determined by means of phase diagram investigations and crystal growth experiments at different oxygen partial pressure. 2. YBCO single crystals of high crystallographic perfection were grown and conclusions on the flux pinning mechanism were drawn. 3. By means of Liquid Phase Epitaxy (LPE) single crystalline (Tc{approx}90 K; {Delta}T{<=}0.5 K) c- and a,b- YBCO fils have been prepared on NdGaO{sub 3} and LaGaO{sub 3} substrates. The films were characterized structurally and magnetically. 4. Our fist melt textured YBCO ``single crystals`` possess intracrystalline critical current densities >10{sup 4} A/cm{sup 2} at B{<=}2T. The irreversibility inductions are {<=}6 T at 77 K. A simple demonstrator was constructed together with the IFW Dresden and a growth model was developed. 5. Using above all torque magnetometer measurements we separated ...