WorldWideScience

Sample records for reported compound synthesis

  1. Synthesis of labeled compounds

    International Nuclear Information System (INIS)

    Whaley, T.W.

    1977-01-01

    Intermediate compounds labeled with 13 C included methane, sodium cyanide, methanol, ethanol, and acetonitrile. A new method for synthesizing 15 N-labeled 4-ethylsulfonyl-1-naphthalene-sulfonamide was developed. Studies were conducted on pathways to oleic-1- 13 C acid and a second pathway investigated was based on carbonation of 8-heptadecynylmagnesium bromide with CO 2 to prepare sterolic acid. Biosynthetic preparations included glucose- 13 C from starch isolated from tobacco leaves following photosynthetic incubation with 13 CO 2 and galactose- 13 C from galactosylglycerol- 13 C from kelp. Research on growth of organisms emphasized photosynthetic growth of algae in which all cellular carbon is labeled. Preliminary experiments were performed to optimize the growth of Escherichia coli on sodium acetate- 13 C

  2. Sulfamides in the synthesis of heterocyclic compounds

    International Nuclear Information System (INIS)

    Gazieva, Galina A; Kravchenko, Angelina N; Lebedev, Oleg V

    2000-01-01

    A comparative analysis of the structures and physicochemical properties of sulfamides and ureas has been performed. New procedures for the synthesis of heterocyclic compounds containing the sulfamide fragment are surveyed and the properties of the resulting compounds are described. The bibliography includes 112 references.

  3. Synthesis and Activity of Grape Wood Phytotoxins and Related Compounds

    Directory of Open Access Journals (Sweden)

    S. Perrin-Cherioux

    2004-04-01

    Full Text Available The synthesis of analogues and derivatives of two o-hydroxyphenylacetylenes, eutypine and sterehirsutinal, the main phytotoxins isolated from the culture medium of Eutypa lata and Stereum hirsutum, is reported. Two means of synthesis are described, based on cyclisation, oxidation, oxidative decarboxylation or reduction reactions, and producing o-hydroxyphenylacetylene or benzofuran derivatives. Some of these synthetic compounds were tested on grapevine callus in order to compare their toxicity with the natural analogues.

  4. Synthesis and Activity of Grape Wood Phytotoxins and Related Compounds

    OpenAIRE

    S. Perrin-Cherioux; E. Abou-Mansour; R. Tabacchi

    2004-01-01

    The synthesis of analogues and derivatives of two o-hydroxyphenylacetylenes, eutypine and sterehirsutinal, the main phytotoxins isolated from the culture medium of Eutypa lata and Stereum hirsutum, is reported. Two means of synthesis are described, based on cyclisation, oxidation, oxidative decarboxylation or reduction reactions, and producing o-hydroxyphenylacetylene or benzofuran derivatives. Some of these synthetic compounds were tested on grapevine callus in order to compare t...

  5. Synthesis and Characterization of Furanic Compounds

    Science.gov (United States)

    2013-09-01

    Furanamine. Solvent 2-Furanamine Acetone — Chloroform — Dimethylacetamide (DMAc) — Dimethylsulfoxide ( DMSO ) + Methanol ± Tetrahydrofuran (THF...4 Figure 4. 1 H NMR of 2-Furanamine in D2O solvent ...Spectra for the furanic compounds were obtained in a 0.1%–0.5% deuterated solvent solutions. 3. Synthesis 3.1 General The following monomers and

  6. Total Synthesis of Marine Cyclic Enol-Phosphotriester Salinipostin Compounds

    Science.gov (United States)

    Zhao, Mingliang; Wei, Xianfeng; Liu, Xuemeng; Dong, Xueyang; Yu, Rilei; Wan, Shengbiao; Jiang, Tao

    2018-06-01

    Due to their structural diversity and variety of biological activities, marine natural products have been the subject of extensive study. These compounds, especially phospholipid polycyclic aromatic hydrocarbons, have a wide range of pharmacological applications, including embedded DNA and central nervous system, anti-tumor, anti-virus, anti-parasite, anti-bacterial, and antithrombotic effects. Unfortunately, the insufficient drug sources have limited the development of these compounds. In this study, we isolated salinpostin compounds from a fermentation solution of marine-derived Salinospora sp., which has a common bicyclic enol-phosphotriester core framework, as well as potent and selective antimalarial activities against P. falciparum with EC50 = 50 nmol L-1. The chemical synthesis of these compounds in greater quantities is necessary for their use in bioactivity studies. Thus we explored a short route with high yields and mild reaction conditions, which can generate combinatorial libraries for drug discovery and lead optimization. We developed a new total synthesis method for six cyclic enol-phosphotriester salinipotin compounds and their diastereomers. For the total synthesis of cyclipostin P, we prepared cyclic enol-phosphotriester salinipostin compounds in 10 steps from a readily accessible starting material, 1,3-dihydroxyacetone, and obtained an overall yield of 1.29%. We fully characterized these compounds by proton nuclear magnetic resonance (1H-NMR), carbon-13 NMR (13C-NMR), and high-resolution mass spectrometry (HRMS) analyses, and found they coincide absolutely with the same compounds reported previously.

  7. Synthesis and biological evaluation of biaryl analogs of antitubulin compounds

    Energy Technology Data Exchange (ETDEWEB)

    Tozatti, Camila Santos Suniga; Khodyuk, Rejane Goncalves Diniz; Silva, Adriano Olimpio da; Santos, Edson dos Anjos dos; Amaral, Marcos Serrou do; Lima, Denis Pires de, E-mail: denis.lima@ufms.br [Centro de Ciencias Exatas e Tecnologia, Universidade Federal de Mato Grosso do Sul, Campo Grande, MS (Brazil); Hamel, Ernest [Screening Technologies Branch, Division of Cancer Treatment and Diagnosis, National Cancer Institute at Frederick, MD (United States)

    2012-07-01

    This paper reports the synthesis of methanones and esters bearing different substitution patterns as spacer groups between aromatic rings. This series of compounds can be considered phenstatin analogs. Two of the newly synthesized compounds, 5a and 5c, strongly inhibited tubulin polymerization and the binding of [{sup 3}H] colchicine to tubulin, suggesting that, akin to phenstatin and combretastatin A-4, they can bind to tubulin at the colchicine site. (author)

  8. Radiation synthesis of materials and compounds

    CERN Document Server

    Kharisov, Boris Ildusovich; Ortiz Méndez, Ubaldo

    2013-01-01

    Researchers and engineers working in nuclear laboratories, nuclear electric plants, and elsewhere in the radiochemical industries need a comprehensive handbook describing all possible radiation-chemistry interactions between irradiation and materials, the preparation of materials under distinct radiation types, the possibility of damage of materials under irradiation, and more. Radiation nanotechnology is still practically an undeveloped field, except for some achievements in the fabrication of metallic nanoparticles under ionizing flows. Radiation Synthesis of Materials and Compounds presents the state of the art of the synthesis of materials, composites, and chemical compounds, and describes methods based on the use of ionizing radiation. It is devoted to the preparation of various types of materials (including nanomaterials) and chemical compounds using ionizing radiation (alpha particles, beta particles, gamma rays, x-rays, and neutron, proton, and ion beams). The book presents contributions from leaders ...

  9. 2002 Annual report: synthesis

    International Nuclear Information System (INIS)

    2003-01-01

    This synthesis of the Annual Report 2002 presents information of the main activities on the scope of the radiation protection and nuclear safety of the Nuclear Regulatory Authority (ARN) of the Argentina during 2002

  10. 2000 Annual report: synthesis

    International Nuclear Information System (INIS)

    2001-01-01

    This synthesis of the Annual Report 2000 present information of the main activities on the scope of the radiation protection and nuclear safety of the Nuclear Regulatory Authority (NRA) of the Argentina during 2000

  11. 2001 Annual report: synthesis

    International Nuclear Information System (INIS)

    2001-01-01

    This synthesis of the Annual Report 2001 presents information of the main activities on the scope of the radiation protection and nuclear safety of the Nuclear Regulatory Authority (ARN) of the Argentina during 2001

  12. Synthesis of organic compounds 15 N enriched

    International Nuclear Information System (INIS)

    Oliveira, Claudineia Raquel de; Bendassolli, Jose Albertino; Prestes, Clelber Vieira; Tavares, Glauco Arnold

    2002-01-01

    The aim of this work was to develop urea- 15 N and glycine- 15 N synthesis for agronomic and biological studies. The production of these compounds was evaluated due to the fact of increasing use of urea, comparing to others solid fertilizers and the importance of glycine in the studies of protein metabolism. A non-conventional method was carried out to synthesize urea. The process involved reaction among Co, NH 3 anidrid and S at low temperature (100 deg C) and of pressure (0,81 mPa) compared to the conventional method. Monolise halets reaction was carried out for glycine synthesis with chloroacetic and ammonia 2 deg C. Both compounds are economic viable, they can be produced at a lower price than the trade market one. (author)

  13. Optimization of the Technological Synthesis of Refractory Compounds

    Science.gov (United States)

    Gaidar, S. M.; Karelina, M. Yu.; Prikhod'ko, V. M.; Volkov, A. A.

    2017-12-01

    The results of experimental studies, which are related to the regulation of the fractional composition of refractory compounds by roll milling in using controlled roll opening and unbalanced peripheral speeds of rollers, are reported. The content of prepared fine, middle, and coarse fractions is within 50-80%; in this case, the milling time of synthesis products is less than the time of ball milling by an order of magnitude. The application of roll milling for refining the products of self-propagating high-temperature synthesis can be most efficient in using together with heat-generating reactor to solve the main problem of self-propagating synthesis (SHS), which is a problem for recent several decades (the problem is the creation of intense automated production of refractory compounds in using continuous manufacturing cycle within a energotechnological system with the recovery of a great quantity of heat released during SHS).

  14. Synthesis and characterization of fluorine compounds

    International Nuclear Information System (INIS)

    Martinez Carrillo, M.

    1991-01-01

    The ( 18 F) D-glucose, 2-deoxy fluorine ( 18 FDG) is a radio pharmaceutic that is used in nuclear medicine it is utilized mainly in the glucose metabolism. It allows recently to observe the tumors accumulation and growing. The obtention of this radio pharmaceutic can realize by a nucleophilic or electrophilic process through the use of different fluorinated agents obtained as intermediates for introducing the 18 F radionuclide in a final step of synthesis. The first methods already has been studied in the National Institute of Nuclear Research. The second one which is based this work and it was realized through the reaction of acetyl hypo fluorite (CH 3 COOF) with tri acetyl glucal (TAG) in turn they require the obtention of several fluorated compounds that they serve as intermediates for their obtention so that objective of this work was to find the adequate technique for the obtention of anhydride hydrofluoric acid (HF), KF.2 HF and elemental fluorine so as the design and construction of the systems and equipment used for carry out each one of the reactions. Moreover it was designed the system that will be used for the obtention of acetyl hypo fluoride and the synthesis of composite tetraacetilide 3,4,6 tri-D-glucopyranosil fluoride (TAG-F) for that finally by hydrolysis it was obtained the 2-deoxy fluoride-D-glucose (TAG) in inactive. In this system were realized several preliminary tests. The results are showed in the content of this work also the techniques for compounds characterization were given. (Author)

  15. Metal complex catalysis in the synthesis of organoaluminium compounds

    International Nuclear Information System (INIS)

    Dzhemilev, Usein M; Ibragimov, Askhat G

    2000-01-01

    The published data on the synthesis of organoaluminium compounds involving metal complex catalysts are generalised and systematised. Hydro-, carbo- and cycloalumination reactions of alkenes, conjugated dienes and alkynes catalysed by Ti and Zr complexes are considered in detail. The use of organoaluminium reagents in organic synthesis and novel reactions involving these compounds are discussed. The bibliography includes 240 references.

  16. Efficient synthesis of benzothiazine and acrylamide compounds

    Energy Technology Data Exchange (ETDEWEB)

    Souza, Ana Maria Alves; Walfrido, Simone Torres Padua; Leite, Lucia Fernanda Costa; Lima, Maria Carmo Alves; Galdino, Suely Lins; Pitta, Ivan Rocha [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Dept. de Antibioticos; Barbosa Filho, Jose Maria [Universidade Federal da Paraiba (UFPB), Joao Pessoa, PB (Brazil); Simone, Carlos Alberto de; Ellena, Javier Alcides, E-mail: irpitta@gmail.co [Universidade de Sao Paulo (USP), Sao Carlos, SP (Brazil). Inst. de Fisica

    2010-07-01

    This article describes the synthesis of the new (2Z)-2-(4-methoxybenzylidene)-6-nitro-4H -benzo[1,4]thiazine-3-one, (2Z)-2-(4-methoxybenzylidene)-4-methyl-6-nitro-4H-benzo[1,4]thiazine-3-one, (2Z)-6-amino-2-(4-methoxybenzylidene)-4H -benzo[1,4]thiazine-3-one, (2Z)-6-butylamino-2-(4-methoxybenzylidene)-4-methyl-4H-benzo[1,4] -thiazine-3-one and (2E)-N-alkyl-N-(2-hydroxy-5-nitrophenyl) -3-phenylacrylamides and the spectroscopic data. The arylidenebenzothiazine compounds were prepared using the Knoevenagel condensation with substituted benzaldehydes in the presence of sodium methoxide in DMF. The presence of a nitro substituent in the 4-position, water and a slightly acid reaction medium in this condensation caused the rupture of the benzothiazine ring and subsequent formation of the phenylacrylamide compounds. A crystallographic data was presented for (2E)-3-(4-bromophenyl)-N-dodecyl-N -(2-hydroxy-5-nitrophenyl) acrylamide. (author)

  17. Efficient synthesis of benzothiazine and acrylamide compounds

    International Nuclear Information System (INIS)

    Souza, Ana Maria Alves; Walfrido, Simone Torres Padua; Leite, Lucia Fernanda Costa; Lima, Maria Carmo Alves; Galdino, Suely Lins; Pitta, Ivan Rocha; Simone, Carlos Alberto de; Ellena, Javier Alcides

    2010-01-01

    This article describes the synthesis of the new (2Z)-2-(4-methoxybenzylidene)-6-nitro-4H -benzo[1,4]thiazine-3-one, (2Z)-2-(4-methoxybenzylidene)-4-methyl-6-nitro-4H-benzo[1,4]thiazine-3-one, (2Z)-6-amino-2-(4-methoxybenzylidene)-4H -benzo[1,4]thiazine-3-one, (2Z)-6-butylamino-2-(4-methoxybenzylidene)-4-methyl-4H-benzo[1,4] -thiazine-3-one and (2E)-N-alkyl-N-(2-hydroxy-5-nitrophenyl) -3-phenylacrylamides and the spectroscopic data. The arylidenebenzothiazine compounds were prepared using the Knoevenagel condensation with substituted benzaldehydes in the presence of sodium methoxide in DMF. The presence of a nitro substituent in the 4-position, water and a slightly acid reaction medium in this condensation caused the rupture of the benzothiazine ring and subsequent formation of the phenylacrylamide compounds. A crystallographic data was presented for (2E)-3-(4-bromophenyl)-N-dodecyl-N -(2-hydroxy-5-nitrophenyl) acrylamide. (author)

  18. Mechanochemical synthesis of organic compounds and composites with their participation

    Energy Technology Data Exchange (ETDEWEB)

    Lyakhov, Nikolai Z; Grigorieva, Tatiana F; Barinova, Antonina P; Vorsina, I A [Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch of the Russian Academy of Sciences, Novosibirsk (Russian Federation)

    2010-05-13

    The results of experimental studies in the mechanochemical synthesis of organic compounds and composites with their participation published over the last 15 years are described systematically. The key reactions of organic compounds are considered: synthesis of the salts of organic acids, acylation, substitution, dehalogenation, esterification, hydrometallation and other reactions. Primary attention is devoted to systems and compounds that cannot be obtained by traditional chemistry methods.

  19. Synthesis, Properties Characterization and Applications of Various Organobismuth Compounds

    Directory of Open Access Journals (Sweden)

    Jingfei Luan

    2011-05-01

    Full Text Available Organobismuth chemistry was emphasized in this review article due to the low price, low toxicity and low radioactivity characteristics of bismuth. As an environmentally-friendly class of organometallic compounds, different types of organobismuth compounds have been used in organic synthesis, catalysis, materials, etc. The synthesis and property characterization of many organobismuth compounds had been summarized. This review article also presented a survey of various applications of organobismuth compounds in organic transformations, as reagents or catalysts. The reactivity, reaction pathways and mechanisms of reactions with organobismuths were discussed. Less common and limiting aspects of organobismuth compounds were also briefly mentioned.

  20. Sulfur ylides in the synthesis of heterocyclic and carbocyclic compounds

    International Nuclear Information System (INIS)

    Lakeev, Sergei N; Maydanova, Irina O; Galin, Fanur Z; Tolstikov, Genrikh A

    2001-01-01

    Data on the use of sulfonium ylides in the synthesis of carbocyclic and heterocyclic compounds published over the last 15 years are analysed, systematised and generalised. The bibliography includes 139 references.

  1. Meteorite-catalyzed synthesis of nucleosides and other prebiotic compounds

    Czech Academy of Sciences Publication Activity Database

    Ferus, Martin; Knížek, Antonín; Civiš, Svatopluk

    2015-01-01

    Roč. 112, č. 23 (2015), s. 7109-7110 ISSN 0027-8424 Institutional support: RVO:61388955 Keywords : meteorite-catalzzed synthesis * nucleosides * prebiotic compounds Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 9.423, year: 2015

  2. Design and Synthesis of Novel Antileishmanial Compounds

    Directory of Open Access Journals (Sweden)

    Melanie Loedige

    2015-01-01

    Full Text Available According to the WHO, infectious diseases, and in particular neglected tropical diseases in poor developing countries, still play a significant role in a vast number of deaths reported worldwide. Among them, leishmaniasis occurs as a complex and clinically diverse illness caused by protozoan Leishmania species which are transmitted through the bite of sandflies. They develop through a complex life cycle, from promastigotes in sandflies to amastigotes in humans. The severity of disease is determined by the type of infecting Leishmania species and also depends strongly on whether the parasite infection leads to a systemic involvement or not. Since the sensitivity towards diverse medicaments highly differs among the Leishmania species, it is advantageous to treat leishmaniasis with species-specific drugs. Towards this goal we report a synthetic methodology and characterization of novel small molecular agents active against both forms of L. major. This synthetic approach allows for rapid access to new active antileishmanial drug templates and their first derivatives in moderate to very good yields. Although the compounds reported here are bioactive, the detailed biological results are part of a more comprehensive study and will be reported separately by our collaborators.

  3. Phosphorus-containing macrocyclic compounds: synthesis and properties

    International Nuclear Information System (INIS)

    Knyazeva, I R; Burilov, Alexander R; Pudovik, Michael A; Habicher, Wolf D

    2013-01-01

    Main trends in the development of methods for the synthesis of phosphorus-containing macrocyclic compounds in the past 15 years are considered. Emphasis is given to reactions producing macrocyclic structures with the participation of a phosphorus atom and other functional groups involved in organophosphorus molecules and to modifications of macrocycles by phosphorus compounds in different valence states. Possibilities of the practical application of phosphorus-containing macrocyclic compounds in difference areas of science and engineering are discussed. The bibliography includes 205 references.

  4. New heterocyclic compounds: Synthesis and antitrypanosomal properties.

    Science.gov (United States)

    Pomel, S; Dubar, F; Forge, D; Loiseau, P M; Biot, C

    2015-08-15

    Three new series of quinoline, quinolone, and benzimidazole derivatives were synthesized and evaluated in vitro against Trypanosoma brucei gambiense. In the quinoline series, the metallo antimalarial drug candidate (ferroquine, FQ) and its ruthenium analogue (ruthenoquine, RQ, compound 13) showed the highest in vitro activities with IC50 values around 0.1 μM. Unfortunately, both compounds failed to cure Trypanosoma brucei brucei infected mice in vivo. The other heterocyclic compounds were active in vitro with IC50 values varying from 0.8 to 34 μM. One of the most interesting results was a fluoroquinolone derivative (compound 2) that was able to offer a survival time of 8 days after a treatment at the single dose of 100 μmol/kg by intraperitoneal route. Although no clear-cut structure-activity relationships emerged, further pharmacomodulations are worth to be developed in this series. Copyright © 2015 Elsevier Ltd. All rights reserved.

  5. synthesis and labelling of some nitrogenous heterocyclic compounds

    International Nuclear Information System (INIS)

    Mahmoud, A.A.L.

    2002-01-01

    the imidazole nucleus has wide range of pharmaceutical activities . also , radioiodinated compounds are used in nuclear medicine. this thesis deals with the synthesis of 2-(iodophenyl)-4-oxazoline-5-ons e, which are used as starting materials in the synthesis of the corresponding imidazolinone derivatives. also, it deals with radioiodination f the synthesized compounds to evaluate their application in nuclear medicine. interaction of o- iodo hippuric acid (I) with aromatic aldehydes (i.e., benzaldehyde, p- methoxybenzaldehyde and p- nitrobenzaldehyde) in acetic anhydride and in the presence of fused sodium acetate effected cyclization to afford the corresponding 2-(2-iodophenyl)-4-arylidene- 2-oxazoline-5-ones(l l a-c )

  6. Synthesis and characterization of volatile technetium compound

    International Nuclear Information System (INIS)

    Childs, Bradley C.; Poineau, Frederic; Czerwinski, Ken R.

    2013-01-01

    Technetium-99 is an important fission (T 1/2 = 2.13.105 y) product of the nuclear industry. Technetium in its highest oxidation state (VII) is highly mobile and can represent a threat to the environment. There are over 55 million gallons of high level mixed waste located at the Hanford site. Waste tanks at the Hanford site contain Tc that could potentially leak, and in the context of management of technetium, a glass waste form was proposed to counteract the issue. In the process of synthesizing melt glass between the temperatures of 600°C and 1100°C, volatile technetium compounds were observed in the reaction tube. These compounds displayed characteristic colors based upon the reaction environments of either breathing air or nitrogen gas. A breathing air atmosphere produces a red compound that adheres to the walls of the reaction tube. An atmosphere of nitrogen gas produces a white compound that was observed on the walls of the reaction tube. (author)

  7. Synthesis and superconductivity of molybdenum cluster compounds (Chevrel phase)

    International Nuclear Information System (INIS)

    Culetto, F.J.

    1979-05-01

    The discovery of superconductivity in ternary molybdenum sulfides (Chevrel phases) in 1972 has stimulated research on these compounds. Some of the phases show extremely high critical fields Hc 2 and might therefore find technical application as high field superconductors. In order to understand the electron-phonon-interaction in these substances, measurements of the superconducting isotope effect in 92-100 Mo 6 Se 8 , Mo 6 76-82 Se 8 , and 116-124 SnMo 6 S 8 have been performed. The corresponding isotope effect exponents β (βmo=0.27 +- 0.04, βSe=0.27 +- 0.05 and βSn 6 Se 8 . In case of the ternary Chevrel phase SnMo 6 S 8 , phonon modes connected with displacements of the Sn-ions have only minor influence on the transition temperature. This result can be explained by the weak overlap of the molybdenum dsub(x)2sub(-y)2 - orbitals with Sn-sites. Furthermore, we report experiments on the synthesis of new Chevrel phase materials. In order to optimize the valence electron concentration in some ternary molybdenum selenide compounds, chalcogen exchange reactions have been performed. A new Chevrel phase superconductor, Cusub(x)Mo 6 S 6 J 2 with x=0 - 1.2, has been synthesized by copper diffusion into the non occupied channels running between the Mo 6 S 6 J 2 -'molecules' of Mo 6 S 6 J 2 . (orig.)

  8. Synthesis of boron-containing heterocyclic compounds

    International Nuclear Information System (INIS)

    Azev, Yuri; Slepukhina, Irina; Gabel, Detlef

    2004-01-01

    The synthesis of boron-containing 1,3,5-triazines and 1,2,4-triazines is described. Derivatives of 1,3,5-triazine containing the o-carborane cluster have been obtained by reacting the corresponding propargyl derivatives with B 10 H 14 . Derivatives of 1,2,4-triazine containing the B 12 H 12 2- cluster have been obtained by nucleophilic substitution of ethylsulfone derivatives with B 12 H 11 SH 2- . They have been isolated in their ring-protonated form. Reaction of RNH 2 -B 8 H 11 NH-R with stericly demanding heterocycles failed, either for steric or for solubility reasons

  9. GREENER SYNTHESIS OF HETEROCYCLIC COMPOUNDS USING MICROWAVE IRRADIATION

    Science.gov (United States)

    An introduction of our interest in the microwave-assisted greener synthesis of a variety of heterocyclic compounds will be presented. It involves microwave (MW) exposure of neat reactants (undiluted) catalyzed by the surfaces of recyclable mineral supports, such as alumina, sili...

  10. Reactivity of organic compounds in catalytic synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Minachev, Kh M; Bragin, O V

    1978-01-01

    A comprehensive review of 1976 Soviet research on catalysis delivered to the 1977 annual session of the USSR Academy of Science Council on Catalysis (Baku 6/16-20/77) covers hydrocarbon reactions, including hydrogenation and hydrogenolysis, dehydrogenation, olefin dimerization and disproportionation, and cyclization and dehydrocyclization (e.g., piperylene cyclization and ethylene cyclotrimerization); catalytic and physicochemical properties of zeolites, including cracking, dehydrogenation, and hydroisomerization catalytic syntheses and conversion of heterocyclic and functional hydrocarbon derivatives, including partial and total oxidation (e.g., of o-xylene to phthalic anhydride); syntheses of thiophenes from alkanes and hydrogen sulfide over certain dehydrogenation catalysts; catalytic syntheses involving carbon oxides ( e.g., the development of a new heterogeneous catalyst for hydroformylation of olefins), and of Co-MgO zeolitic catalysts for synthesis of aliphatic hydrocarbons from carbon dioxide and hydrogen, and fabrication of high-viscosity lubricating oils over bifunctional aluminosilicate catalysts.

  11. Lithium Oxysilicate Compounds Final Report.

    Energy Technology Data Exchange (ETDEWEB)

    Apblett, Christopher A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Coyle, Jaclyn [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-09-01

    In this study, the structure and composition of lithium silicate thin films deposited by RF magnetron co-sputtering is investigated. Five compositions ranging from Li2Si2O5 to Li8SiO6 were confirmed by inductively coupled plasma-optical emission spectroscopy (ICP-OES) and structure analysis on the evolution of non-bridging oxygens in the thin films was conducted with fourier transform infrared (FTIR) spectroscopy. It was found that non-bridging oxygens (NBOs) increased as the silicate network breaks apart with increasing lithium content which agrees with previous studies on lithium silicates. Thin film impurities were examined with x-ray photoelectron spectroscopy (XPS) and time of flight secondary ion mass spectroscopy (TOFSIMS) and traced back to target synthesis. This study utilizes a unique synthesis technique for lithium silicate thin films and can be referred to in future studies on the ionic conductivity of lithium silicates formed on the surface of silicon anodes in lithium ion batteries.

  12. Catalytic dehydration of ethanol for poly 13 C compounds synthesis

    International Nuclear Information System (INIS)

    Almasan, Valer; Marginean, Petru; Lazar, Mihaela; Tusa, Florina

    2003-01-01

    Classical methods for the synthesis of organic compounds are not very well applied in the case of 13 C labeled compounds. One of the principal demands is to find the best method to transform a small quantity of isotopic reagent with a very high yield. In this case to obtain 13 C 2 chloroethanol from 13 C 2 ethanol there are two synthesis steps: - catalytic dehydration of ethanol to ethylene; - ethylene double bounding saturation: either via ethylene oxide (30% yield) or in diluted solution of chlorine. For the first step of synthesis we choose the thermal dehydration over alumina catalyst at 400 deg C. There were tested 2 samples of g alumina with 255 m 2 /g and 355 m 2 /g with very good results. In the second step of the synthesis we used the chlorine addition to ethylene in very diluted water solution. We have built a reactor which combined the two steps of this synthesis method to produce 13 C 2 chloroethanol from 13 C 2 ethanol. The global yield of method was 42%. (authors)

  13. Synthesis and Materials Design for Heteroanion Compounds

    Science.gov (United States)

    Machida, K.

    2011-02-01

    Oxynitride phosphors, SrSi2O2N2:Eu2+ were synthesized through a conventional solid state reaction between Sr2SiO4:Eu2+ precursor and Si3N4 by using NH4Cl flux, and their luminescence properties were characterized from a viewpoint of the ionic and covalent bond natures as the "heteroanion compound" containing O2- and N3- anions. The structural framework of host lattice is constructed by covalently bonded layers of SiON3 units, suggesting that the rearrangement of O2- and N3- anions effectively takes place between isolated SiO44-anions of the Sr2SiO4:Eu2+ precursor and SiN4 units of the Si3N4 raw material. Furthermore, the layered structure consisting of (Si2O2N2)n2n- polyanions as tightly connected by Si-N-Si covalent bonds depresses the lattice vibration of Sr(Eu)-O or Si-O bond, so that the temperature quenching effect is lowered to give the intense emission for LED-based illumination lamps.

  14. Synthesis and Materials Design for Heteroanion Compounds

    International Nuclear Information System (INIS)

    Machida, K

    2011-01-01

    Oxynitride phosphors, SrSi 2 O 2 N 2 :Eu 2+ were synthesized through a conventional solid state reaction between Sr 2 SiO 4 :Eu 2+ precursor and Si 3 N 4 by using NH 4 Cl flux, and their luminescence properties were characterized from a viewpoint of the ionic and covalent bond natures as the 'heteroanion compound' containing O 2- and N 3- anions. The structural framework of host lattice is constructed by covalently bonded layers of SiON 3 units, suggesting that the rearrangement of O 2- and N 3- anions effectively takes place between isolated SiO4 4- anions of the Sr 2 SiO 4 :Eu 2+ precursor and SiN 4 units of the Si 3 N 4 raw material. Furthermore, the layered structure consisting of (Si 2 O 2 N 2 )n 2n- polyanions as tightly connected by Si-N-Si covalent bonds depresses the lattice vibration of Sr(Eu)-O or Si-O bond, so that the temperature quenching effect is lowered to give the intense emission for LED-based illumination lamps.

  15. Synthesis, biological activity and computational studies of novel azo-compounds

    International Nuclear Information System (INIS)

    Ashraf, J.; Murtaza, S.; Mughal, E.U.; Sadiq, A.

    2017-01-01

    In the present protocol, we report the synthesis and characterization of some novel azo-compounds starting from 4-methoxyaniline and 4-aminophenazone, which were diazotized at low temperature. 4-nitrophenol, 2-aminobenzoic acid, benzamide, 4-aminobenzoic acid, resorcinol, o-bromonitrobenzene and 2-nitroaniline were used as active aromatic coupling compounds for the second step. The synthesized compounds were investigated for their potential antibacterial activities by using disc diffusion method against Escherichia coli, Shigellasonnei, Streptococcus pyrogenes, Staphylococcus aureus and Neisseria gonorrhoeae strains. They were also subjected to antioxidant activities by using DPPH method. Results revealed that the compounds of 4-methoxyaniline and 4-aminophenazone showed good antibacterial activity against all strains, where as some azo-compounds have moderate to good antioxidant activities. Furthermore, these compounds were studied by computational analysis. (author)

  16. NATURAL ANALOGUE SYNTHESIS REPORT

    International Nuclear Information System (INIS)

    Simmons, A.M.

    2004-01-01

    The purpose of this report is to present analogue studies and literature reviews designed to provide qualitative and quantitative information to test and provide added confidence in process models abstracted for performance assessment (PA) and model predictions pertinent to PA. This report provides updates to studies presented in the Yucca Mountain Site Description (CRWMS M and O 2000 [151945], Section 13) and new examples gleaned from the literature along with results of quantitative studies conducted specifically for the Yucca Mountain Project (YMP). The intent of the natural analogue studies was to collect corroborative evidence from analogues to demonstrate additional understanding of processes expected to occur during postclosure at a potential Yucca Mountain repository. The report focuses on key processes by providing observations and analyses of natural and anthropogenic (human-induced) systems to improve understanding and confidence in the operation of these processes under conditions similar to those that could occur in a nuclear waste repository. The process models include those that represent both engineered and natural barrier processes. A second purpose of this report is to document the various applications of natural analogues to geologic repository programs, focusing primarily on the way analogues have been used by the YMP. This report is limited to providing support for PA in a confirmatory manner and to providing corroborative inputs for process modeling activities. Section 1.7 discusses additional limitations of this report. Key topics for this report are analogues to emplacement-drift degradation, waste-form degradation, waste-package degradation, degradation of other materials proposed for the engineered barrier, seepage into drifts, radionuclide flow and transport in the unsaturated zone (UZ), analogues to coupled thermal-hydrologic-mechanical-chemical processes, saturated-zone (SZ) transport, impact of radionuclide release on the biosphere

  17. Natural Analogue Synthesis Report

    Energy Technology Data Exchange (ETDEWEB)

    A. M. Simmons

    2002-05-01

    The purpose of this report is to present analogue studies and literature reviews designed to provide qualitative and quantitative information to test and provide added confidence in process models abstracted for performance assessment (PA) and model predictions pertinent to PA. This report provides updates to studies presented in the ''Yucca Mountain Site Description'' (CRWMS M and O 2000 [151945], Section 13) and new examples gleaned from the literature, along with results of quantitative studies conducted specifically for the Yucca Mountain Site Characterization Project (YMP). The intent of the natural analogue studies was to collect corroborative evidence from analogues to demonstrate additional understanding of processes expected to occur during postclosure at a potential Yucca Mountain repository. The report focuses on key processes by providing observations and analyses of natural and anthropogenic (human-induced) systems to improve understanding and confidence in the operation of these processes under conditions similar to those that could occur in a nuclear waste repository. The process models include those that represent both engineered and natural barrier processes. A second purpose of this report is to document the various applications of natural analogues to geologic repository programs, focusing primarily on the way analogues have been used by the YMP. This report is limited to providing support for PA in a confirmatory manner and to providing corroborative inputs for process modeling activities. Section 1.7 discusses additional limitations of this report. Key topics for this report are analogues to emplacement drift degradation, waste form degradation, waste package degradation, degradation of other materials proposed for the engineered barrier, seepage into drifts, radionuclide flow and transport in the unsaturated zone (UZ), analogues to coupled thermal-hydrologic-mechanical-chemical processes, saturated zone (SZ) transport

  18. Synthesis and analysis of 14C-labelled butyltin compounds

    International Nuclear Information System (INIS)

    Kloetzer, D.

    1976-01-01

    This paper deals with methods for the synthesis of 14 C-labelled analoga of the important biocides tributyltin oxide, tributyltin benzoate, tributyltin salicylate and tributyltin fluoride as well as dibutyltin oxide. The radioactive starting substance butylbromide-1- 14 C is treated with sodium and monobutyltin chloride or tin tetrachloride to form a mixture of radioactive butyltin compounds from which the substance desired is separated. A system satisfactorily meeting the conditions for thin-layer radiochromatography is presented. (author)

  19. Optical analogy. Synthesis report

    International Nuclear Information System (INIS)

    1965-01-01

    The authors report the study of conditions under which light attenuation (reflection, diffusion, absorption) and the attenuation of some radiations (notably thermal neutrons) can be described with analogical calculations. The analogy between light physical properties and neutron properties is not searched for, but the analogy between their attenuation characteristics. After having discussed this possible analogy, they propose a mathematical formulation of neutron and optical phenomena which could theoretically justify the optical analogy. The second part reports a more practical study of optics problems such as the study of simple optics materials and illumination measurements, or more precisely the study of angular distributions of optical reflections, a determination of such angular distributions, and an experimental determination of the albedo

  20. Hydrothermal Synthesis of Disulfide-Containing Uranyl Compounds. In Situ Ligand Synthesis versus Direct Assembly

    Energy Technology Data Exchange (ETDEWEB)

    Rowland, Clare E. [George Washington Univ., Washington, DC (United States); Belai, Nebebech [George Washington Univ., Washington, DC (United States); Knope, Karah E. [George Washington Univ., Washington, DC (United States); Cahill, Christopher L. [George Washington Univ., Washington, DC (United States)

    2010-01-29

    Three disulfide-containing uranyl compounds, [UO2(C7H4O2S)3]·H2O (1), [UO2(C7H4O2S)2(C7H5O2S)] (2), and [UO2(C7H4O2S)4] (3) have been hydrothermally synthesized. Both in situ disulfide bond formation from 3- and 4-mercaptobenzoic acid (C7H5O2S, MBA) to yield 3,3'- and 4,4'-dithiobisbenzoic acid (C14H8O4S2, DTBA) and direct assembly with the presynthesized dimeric ligands have been explored. While the starting materials 4-MBA and 4,4'-DTBA both yield 2 via in situ ligand synthesis and direct assembly, respectively, we observe the formation of 1 from the starting material 3-MBA via in situ ligand synthesis and of 3 from the direct assembly of the uranyl cation with 3,3'-DTBA. Concurrently with the synthesis of 1 and 2, we have observed the in situ formation of the crystalline dimeric organic species, 3,3'-DTBA, [(C7H5O2S)2] (4) and 4,4'-DTBA, [(C7H5O2S)2] (5). Herein we report the synthesis and crystallographic characterization of 1-5, as well as observations regarding the utility of product formation via direct assembly and in situ ligand synthesis.

  1. Synthesis, crystal structures and properties of lead phosphite compounds

    International Nuclear Information System (INIS)

    Song, Jun-Ling; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao

    2015-01-01

    Here, we report the preparation and characterization of two lead(II) phosphites, namely, Pb_2(HPO_3)_2 and Pb_2(HPO_3)(NO_3)_2 through hydrothermal reaction or simple solution synthesis, respectively. A new lead phosphite, namely, Pb_2(HPO_3)_2, crystallizes in the noncentrosymmetric space group Cmc2_1 (no. 36), which features 3D framework formed by the interconnection of 2D layer of lead(II) phosphites and 1D chain of [Pb(HPO_3)_5]_∞. The nonlinear optical properties of Pb_2(HPO_3)(NO_3)_2 have been studied for the first time. The synergistic effect of the stereo-active lone-pairs on Pb"2"+ cations and π-conjugated NO_3 units in Pb_2(HPO_3)(NO_3)_2 produces a moderate second harmonic generation (SHG) response of ∼1.8×KDP (KH_2PO_4), which is phase matchable (type I). IR, UV–vis spectra and thermogravimetric analysis (TGA) for the two compounds were also measured. - Graphical abstract: Two lead phosphites Pb_2(HPO_3)_2 and Pb_2(HPO_3)(NO_3)_2 are studied. A new lead phosphite Pb_2(HPO_3)_2 features a unique 3D framework structure and Pb_2(HPO_3)(NO_3)_2 shows a moderate SHG response of ∼1.8×KDP (KH_2PO_4). - Highlights: • A new lead phosphite, Pb_2(HPO_3)_2 is reported. • Pb_2(HPO_3)_2 features a unique 3D framework structure. • NLO property of Pb_2(HPO_3)(NO_3)_2 is investigated. • Pb_2(HPO_3)(NO_3)_2 produces a moderate SHG response of ∼1.8×KDP (KH_2PO_4).

  2. A brief review on synthesis & applications of β-enamino carbonyl compounds

    Directory of Open Access Journals (Sweden)

    yellajyosula L N Murthy

    2012-01-01

    Full Text Available Owing to the wide range applications of β-enamino esters (enamines of β–dicarbonyl compounds in pharmaceuticals and as building blocks for the synthesis of a variety of heterocyclic compounds, β-amino esters, β-amino acids, γ-amino alcohols, peptides and alkaloids a number of methods have been developed so far for the synthesis of these compounds. Due to the importance of these compounds as intermediates in organic synthesis, a concised review is presented.

  3. Synthesis and antibacterial evaluation of new, unsymmetrical triaryl bisamidine compounds

    Science.gov (United States)

    Nguyen, Son T.; Williams, John D.; Butler, Michelle M.; Ding, Xiaoyuan; Mills, Debra M.; Tashjian, Tommy F.; Panchal, Rekha G.; Weir, Susan K.; Moon, Chaeho; Kim, Hwa-Ok; Marsden, Jeremiah; Peet, Norton P.; Bowlin, Terry L.

    2014-01-01

    Herein we describe the synthesis and antibacterial evaluation of a new, unsymmetrical triaryl bisamidine compound series, [Am]-[indole]-[linker]-[HetAr/Ar]-[Am], in which [Am] is an amidine or amino group, [linker] is a benzene, thiophene or pyridine ring, and [HetAr/Ar] is a benzimidazole, imidazopyridine, benzofuran, benzothiophene, pyrimidine or benzene ring. When the [HetAr/Ar] unit is a 5,6-bicyclic heterocycle, it is oriented such that the 5-membered ring portion is connected to the [linker] unit and the 6-membered ring portion is connected to the [Am] unit. Among the 34 compounds in this series, compounds with benzofuran as the [HetAr/Ar] unit showed the highest potencies. Introduction of a fluorine atom or a methyl group to the triaryl core led to the more potent analogs. Bisamidines are more active toward bacteria while the monoamidines are more active toward mammalian cells (as indicated by low CC50 values). Importantly, we identified compound P12a (MBX 1887) with a relatively narrow spectrum against bacteria and a very high CC50 value. Compound P12a has been scaled up and is currently undergoing further evaluations for therapeutic applications. PMID:24969013

  4. The Synthesis and Crystal Structure of Two New Hydrazone Compounds

    Directory of Open Access Journals (Sweden)

    Li-Hua Wang

    2016-05-01

    Full Text Available Two new hydrazone compounds, 4-formylimidazole-4-hydroxybenzhydrazone dihydrate (1 and 2-nitrobenzaldehyde-2-furan formylhydrazone (2, were synthesized via the classical synthesis method. Their structure was determined via elemental analysis and X-ray single crystal diffraction analysis. Compound 1 crystallizes in triclinic, space group P-1 with a = 7.0321(14 Å, b = 7.3723(15 Å, c = 13.008(3 Å, α = 98.66(3°, β = 101.69(3°, γ = 92.25(3°, V = 651.2(2 Å3, Z = 2, Dc = 1.358 g·cm−3, μ = 0.106 mm−1, F(000 = 280, and final R1 = 0.0564, wR2 = 0.1420. Compound 2 crystallizes in monoclinic, space group P21/c with a = 17.3618(9 Å, b = 9.1506(4 Å, c = 15.5801(7 Å, β = 104.532(5°, V = 2396.05(19 Å3, Z = 8, Dc = 1.437 g·cm−3, μ = 0.111 mm−1, F(000 = 1072, and final R1 = 0.0633, wR2 = 0.1649. Compound 1 forms a 2D-layered structure via the interactions of 1D chains and Compound 2 forms a 3D network structure via the interactions of 1D chains.

  5. Erupted Compound Odontomas: A Case Report

    Directory of Open Access Journals (Sweden)

    Avinash Tejasvi M.L.

    2011-03-01

    Full Text Available The tumors in which odontogenic differentiation is fully expressed are the odontomas. Odontomas are considered as hamartomas rather than a true neoplasm. These tumors are composed of enamel, dentine, cementum and pulp tissue. It is most commonly associated with the eruption of the teeth. They are usually discovered on routine radiographic examination. In exceptional cases, the odontoma erupts in to the mouth. Nine cases of erupted compound odontomas are reported in the English literature, and the present paper reports another case of an erupted compound odontoma in a 22-year-old female patient.

  6. Synthesis and anion binding properties of porphyrins and related compounds

    KAUST Repository

    Figueira, Flávio

    2016-12-02

    Over the last two decades the preparation of pyrrole-based receptors for anion recognition has attracted considerable attention. In this regard porphyrins, phthalocyanines and expanded porphyrins have been used as strong and selective receptors while the combination of those with different techniques and materials can boost their applicability in different applications as chemosensors and extracting systems. Improvements in the field, including the synthesis of this kind of compounds, can contribute to the development of efficient, cheap, and easy-to-prepare anion receptors. Extensive efforts have been made to improve the affinity and selectivity of these compounds and the continuous expansion of related research makes this chemistry even more promising. In this review, we summarize the most recent developments in anion binding studies while outlining the strategies that may be used to synthesize and functionalize these type of macrocycles. © 2016 World Scientific Publishing Company.

  7. Biologically Active Macrocyclic Compounds – from Natural Products to Diversity‐Oriented Synthesis

    DEFF Research Database (Denmark)

    Madsen, Charlotte Marie; Clausen, Mads Hartvig

    2011-01-01

    Macrocyclic compounds are attractive targets when searching for molecules with biological activity. The interest in this compound class is increasing, which has led to a variety of methods for tackling the difficult macrocyclization step in their synthesis. This microreview highlights some recent...... developments in the synthesis of macrocycles, with an emphasis on chemistry developed to generate libraries of putative biologically active compounds....

  8. Green chemistry approach to the synthesis of potentially bioactive aminobenzylated Mannich bases through active hydrogen compounds

    Directory of Open Access Journals (Sweden)

    S. L. VASOYA

    2005-10-01

    Full Text Available An efficient and high yield method for the synthesis of aminobenzylated Mannich bases is described. The synthesis occurs in aqueous medium at 0 ºC. The compounds show moderate antitubercular and antimicrobial activities.

  9. Synthesis of polyhydroxylated compounds from Derythrose: enzymatic inhibition studies

    OpenAIRE

    Noro, Jennifer Martins

    2015-01-01

    Dissertação de mestrado em Química Medicinal This thesis is divided into two parts. At first, two starting synthon compounds were obtained: the benzylidene acetal D-erythrose aldehyde and the unsaturated lactone derived from this aldehyde. Both compounds were obtained following methods reported in the literature. The first part of the work focuses on aldehyde reactions with different primary aliphatic amines, yielding the respective imines. These were reduced to afford the ...

  10. Synthesis and characterization of highly triboluminescent doped europium tetrakis compounds

    International Nuclear Information System (INIS)

    Fontenot, Ross S.; Hollerman, William A.; Bhat, Kamala N.; Aggarwal, Mohan D.

    2012-01-01

    One of the most intriguing properties involving crystals is their ability to emit light when fractured. While this property was discovered over 200 years ago, no one has ever been able to come up with a complete theory that can predict the physical principles associated with triboluminescence. However, this has not stopped scientists from coming up with various uses for these materials. One such application is to use these materials as the active element for smart impact sensors that can warn of catastrophic impacts. If these sensors are to become a reality however, the material must emit a bright light when fractured. One of the brightest triboluminescent materials found thus far is europium dibenzoylmethide triethylammonium (EuD 4 TEA). This material was discovered by Hurt in 1966 and is bright enough to be seen in daylight. In 2011, the authors discovered that synthesizing EuD 4 TEA using europium nitrate instead of chloride significantly increased the triboluminescence yield and made the synthesis much easier and more consistent. However, to date, there are few investigations into the effects of dopants on the triboluminescence of EuD 4 TEA. This paper reports the investigation of the effects of various dopants on: (1) The triboluminescent light yield, (2) Crystal size and structure, (3) Synthesis time, and (4) Prompt decay time. Results show that inclusion of dopants during synthesis increases the triboluminescence emission of EuD 4 TEA by 55%, significantly reduces the synthesis time, and controls the decay time. All of these properties can be useful for constructing the first prototype of a customized impact sensor. - Highlights: ► Doped europium dibenzoylmethide triethylammonium (EuD 4 TEA) was synthesized. ► Effects of dopants was studied from EuD 4 TEA during low velocity (<10 m/s) impacts. ► The triboluminescent light yield, decay time, and synthesis time were measured. ► A specially-built drop tower was developed to measure triboluminescence

  11. Solid-phase synthesis of compounds of europium and terbium with nitrogen-containing heterocyclic compounds under mechanical activation

    International Nuclear Information System (INIS)

    Kalinovskaya, I.V.; Karasev, V.E.

    2000-01-01

    Effect of solvents and parameters of mechanical treatment on basic regularities of synthesis of rare earth compounds with nitrogen-containing heterocyclic compounds is studied. It is shown that interaction on europium (3) and terbium (3) nitrates with nitrogen-containing heterocyclic compounds leads to formation of compounds of Ln(NO 3 )·2D composition, where Ln=Eu, Tb; D=2,2-dipyridyl, 1,10-phenanthroline, diphenylguanidine. Effect of conditions of mechanical treatment and different additions on process and yield of products is studied. Compounds prepared are characterized by the methods of chemical element analysis, IR spectroscopy and luminescent spectroscopy [ru

  12. Synthesis and reforming of high molecular-weigth compounds by the utilization of radiation

    International Nuclear Information System (INIS)

    Machi, Sueo

    1976-01-01

    Radiation effects on the synthesis are reforming of high molecular-weight compounds are reviewed. The report is divided into four main parts. The first part deals with the characteristics of the radiation processing. The reaction can be started in a wide range of temperature including very low temperature. Catalysts are unnecessary. The reaction velocity is fast, and the reaction in solid phase can be started uniformly. And the quality of products is well controllable. The second part deals with the synthesis of high molecular-weight compounds by radiation polymerization. Radical polymerization and ionizing polymerization, gas phase and liquid phase polymerization, the polymerization and copolymerization of fluorine-containing monomers, and solid phase polymerization and low temperature polymerization are included in this part. Attention is directed to the continuous production system for the radiation polymerization of ethylene developed by Japan Atomic Energy Research Institute. The third part deals with the reforming of high molecular-weight compounds by radiation graft polymerization. The combination of backbone polymers and monomers for reforming plastics and fibers, the membranes for reverse osmosis, porous membranes, and ion exchange membranes are included. The fourth part deals with the reforming of high molecular-weight compounds by the cross-linking. Polyethylene, PVC, ethyl acrylate copolymer and the like are included. (Iwakiri, K.)

  13. The in situ generation and reactive quench of diazonium compounds in the synthesis of azo compounds in microreactors.

    Science.gov (United States)

    Akwi, Faith M; Watts, Paul

    2016-01-01

    In this paper, a micro-fluidic optimized process for the continuous flow synthesis of azo compounds is presented. The continuous flow synthesis of Sudan II azo dye was used as a model reaction for the study. At found optimal azo coupling reaction temperature and pH an investigation of the optimum flow rates of the reactants for the diazotization and azo coupling reactions in Little Things Factory-MS microreactors was performed. A conversion of 98% was achieved in approximately 2.4 minutes and a small library of azo compounds was thus generated under these reaction conditions from couplers with aminated or hydroxylated aromatic systems. The scaled up synthesis of these compounds in PTFE tubing (i.d. 1.5 mm) was also investigated, where good reaction conversions ranging between 66-91% were attained.

  14. The in situ generation and reactive quench of diazonium compounds in the synthesis of azo compounds in microreactors

    Directory of Open Access Journals (Sweden)

    Faith M. Akwi

    2016-09-01

    Full Text Available In this paper, a micro-fluidic optimized process for the continuous flow synthesis of azo compounds is presented. The continuous flow synthesis of Sudan II azo dye was used as a model reaction for the study. At found optimal azo coupling reaction temperature and pH an investigation of the optimum flow rates of the reactants for the diazotization and azo coupling reactions in Little Things Factory-MS microreactors was performed. A conversion of 98% was achieved in approximately 2.4 minutes and a small library of azo compounds was thus generated under these reaction conditions from couplers with aminated or hydroxylated aromatic systems. The scaled up synthesis of these compounds in PTFE tubing (i.d. 1.5 mm was also investigated, where good reaction conversions ranging between 66–91% were attained.

  15. Synthesis and characterization of several molybdenum chloride cluster compounds

    Energy Technology Data Exchange (ETDEWEB)

    Beers, W.W.

    1983-06-01

    Investigation into the direct synthesis of Mo/sub 4/Cl/sub 8/(P(C/sub 2/H/sub 5/)/sub 3/)/sub 4/ from Mo/sub 2/(OAc)/sub 4/ led to a synthetic procedure that produces yields greater than 80%. The single-crystal structure disclosed a planar rectangular cluster of molybdenum atoms. Metal-metal bond distances suggest that the long edges of the rectangular cluster should be considered to be single bonds and the short metal-metal bonds to be triple bonds. This view is reinforced by an extended Hueckel calculation. Attempts to add a metal atom to Mo/sub 4/Cl/sub 8/(PR/sub 3/)/sub 4/ to form Mo/sub 5/Cl/sub 10/(PR/sub 3/)/sub 3/ led instead to a compound with the composition Mo/sub 8/Cl/sub 16/(PR/sub 3/)/sub 4/. Solution and reflectance uv-visible spectra and x-ray photoelectron spectra suggest that tetranuclear molybdenum units are present. The facile reaction between Mo/sub 8/Cl/sub 16/(PR/sub 3/)/sub 4/ and PR/sub 3/ imply that the linkage between tetrameric units is weak.

  16. Synthesis of potentially bioactive compounds and tools for biological studies

    International Nuclear Information System (INIS)

    Cappa, F.

    2014-01-01

    NMR spectroscopy is one of the most versatile tools for studying structural parameters of organic and bioorganic compounds. It became a highly suitable method to achieve spectra simplification of macromolecules in combination with isotope labeling techniques. This technique is used to study protein structures, folding properties and mechanisms of chemical and biochemical reactions. Proteins typically feature a high molecular mass showing a high number of spin systems, being responsible for increasingly difficult to interpret NMR spectra, which is why it is essential to introduce 13 C- and 15 N- isotopes to obtain reasonable signal intensities. The development of a new synthetic route towards 13 C-isotope labeled Phenylalanine or precursors thereof, starting from inexpensive and easily accessible labeled starting materials, is the main purpose of this work. Label sources such as [ 13 C]-acetic acid, [ 13 C]-formaldehyde, [ 13 C]-allyl alcohol and [ 13 C]-glycine will be used. The synthetic pathway will be carried out in a way where the position-selective incorporation of labeled isotopes can be performed. This important feature of the synthesis may open access towards newly designed NMR-experiments. Key steps for the tested route are ring closing metatheses as well as indium mediated reactions. The second part of this work focuses on the field of sugar chemistry, in particular on the family of deoxy sugars, components of many natural products, found in different plants, fungi and bacteria. Deoxy sugars also participate in a wide range of biological processes. Special focus is given to 3-deoxy sugars and the research of a versatile and flexible synthetic route for their preparation starting from the easily accessible D-glyceraldehyde. These sugars are found on Gram-negative bacteria where they are a key component of the lipopolysaccharides, or where they can take place in the biosynthesis of aromatic amino acids in bacteria and plants. Being able to perform this

  17. Possible Role of Ice in the Synthesis of Polymeric Compounds

    Science.gov (United States)

    Monnard, Pierre-Alain; Doerr, Mark; Loeffler, Philipp, M. G.

    COSPAR Session F3.6, Bremen July 18-25, 2010 Possible role of ice in the synthesis of polymeric compounds Doerr, Mark, Loeffler, Philipp M.G and Monnard, Pierre-Alain, University of Southern Den-mark, FLinT Center, Odense M, Denmark. Email: monnard@ifk.sdu.dk Cellular life relies on a collection of linear polymers (among them DNA, RNA, proteins) to perform the functions necessary to its survival. It seems likely that catalytic and informational polymers played essential roles in the emergence of the first living entities, precursors of con-temporary cells. Thus, their detection on other planetary bodies might hint at either emerging, or extant, or past life in these environments. A non-enzymatic synthesis of such polymeric materials or their precursors likely had to rely on a supply of monomers dissolved at low concentrations in an aqueous medium. An aqueous environment represents a clear hurdle to the synthesis of long polymers as it tends to inhibit polymerization due to entropic effects and favors the reverse reaction (decomposition by hy-drolysis). It was therefore proposed that polymerization could occur in a distinct micro-or nanostructured environment that would permit a local increase in the monomer concentration, reduce water activity and protect monomers and polymers from hydrolysis. Several types of micro-or nanostructured environments, among them mineral surfaces [1], lattices of organic molecules, such as amphiphile bilayer structures [2], and the eutectic phase in water-ice [3-8] have been proposed to promote RNA and peptide formation. This last environment might be of particular interest since space exploration has established that water exists on Mars, Europa, Enceladus and comets, mostly as ice. Ice deposits may also have existed on the early Earth. When an aqueous solution is cooled below its freezing point, but above the eutectic point, two aqueous phases co-exist and form the eutectic phase system: a solid (the ice crystals made of pure water

  18. Selected heterocyclic compounds as antioxidants. Synthesis and biological evaluation.

    Science.gov (United States)

    Tsolaki, E; Nobelos, P; Geronikaki, A; Rekka, E A

    2014-01-01

    Reactive oxygen species, oxidative stress, and oxidative damage are increasingly assigned important roles as harmful factors in pathological conditions and ageing. ROS are potentially reactive molecules derived from the reduction of molecular oxygen in the course of aerobic metabolism. ROS can also be produced through a variety of enzymes. Under normal circumstances, ROS concentrations are tightly controlled by physiological antioxidants. When excessively produced, or when antioxidants are depleted, ROS can impose oxidative damage to lipids, proteins, sugars and DNA. This reduction-oxidation imbalance, called oxidative stress, can subsequently contribute to the development and progression of tissue damage and play a role in the pathology of various diseases. An antioxidant is defined as "any substance that, when present at low concentrations compared with those of a substrate, significantly delays, prevents or removes oxidative damage to this target molecule". Despite evidence that oxidative damage contributes to a wide range of clinically important conditions, few antioxidants act as effective drugs in vivo. Inter alia, the difficulty of measuring antioxidant efficacy in vivo makes the interpretation of results from clinical trials difficult. A large number of synthetic compounds have been reported to possess antioxidant activity. Several of them derive from natural antioxidants, others have various structures. In this review, some of the most often reported classes of heterocyclic antioxidant compounds, as well as methods for evaluation of their antioxidant activity are discussed.

  19. Synthesis of uniformly labelled organic compounds by polymerization of 14C ethylene

    International Nuclear Information System (INIS)

    Dauphin, J.-F.

    1972-01-01

    The synthesis of 14 C uniformly labelled compounds is described. By polymerization of 14 C ethylene, linear olefins with a double bond at α position were obtained. From these olefins, uniformly labelled alkanes, alcohols and acids were prepared [fr

  20. Thiosemicarbazides in the synthesis of five- and six-membered heterocyclic compounds

    International Nuclear Information System (INIS)

    Gazieva, Galina A; Kravchenko, Angelina N

    2012-01-01

    Data on key chemical transformations of thiosemicarbazides resulting in heterocyclic compounds are generalized and described systematically. Methods for the synthesis of five- and six-membered heterocycles with two and three heteroatoms are considered. The bibliography includes 190 references.

  1. Organic synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, S.E.

    1991-01-01

    This paper reports on reactions of organoboranes. Organoboron routes to unsaturated hydrocarbons. Boronic ester homologation. Properties of organosilicon compounds. Alkene synthesis (Peterson olefination). Allylsilanes and acylsilanes.

  2. Gold-catalyzed Alkyne Hydroxylation: Synthesis of 2-Substituted Benzo[b]furan Compounds

    Institute of Scientific and Technical Information of China (English)

    ZHANG Yuan; XIN Zhi-Jun; XUE Ji-Jun; LI Ying

    2008-01-01

    A strategy concerning the synthesis of 2-substituted benzo[b]furan compounds from o-alkynyl phenols via a gold-catalyzed alkyne hydroxylation is described, which allows the rapid synthesis of various 2-substituted benzo[b]furan derivatives in excellent yields under mild conditions. The o-alkynyl phenol precursors were readily prepared with a Sonogashira coupling reaction.

  3. Synthesis and evaluation of antimalarial properties of novel 4-aminoquinoline hybrid compounds.

    Science.gov (United States)

    Fisher, Gillian M; Tanpure, Rajendra P; Douchez, Antoine; Andrews, Katherine T; Poulsen, Sally-Ann

    2014-10-01

    Pharmacophore hybridization has recently been employed in the search for antimalarial lead compounds. This approach chemically links two pharmacophores, each with their own antimalarial activity and ideally with different modes of action, into a single hybrid molecule with the goal to improve therapeutic properties. In this paper, we report the synthesis of novel 7-chloro-4-aminoquinoline/primary sulfonamide hybrid compounds. The chlorinated 4-aminoquinoline scaffold is the core structure of chloroquine, an established antimalarial drug, while the primary sulfonamide functional group has a proven track record of efficacy and safety in many clinically used drugs and was recently shown to exhibit some antimalarial activity. The activity of the hybrid compounds was determined against chloroquine-sensitive (3D7) and chloroquine-resistant (Dd2) Plasmodium falciparum strains. While the hybrid compounds had lower antimalarial activity when compared to chloroquine, they demonstrated a number of interesting structure-activity relationship (SAR) trends including the potential to overcome the resistance profile of chloroquine. © 2014 John Wiley & Sons A/S.

  4. Synthesis of novel ionic liquids from lignin-derived compounds

    Science.gov (United States)

    Socha, Aaron; Singh, Seema; Simmons, Blake A.; Bergeron, Maxime

    2017-09-19

    Methods and compositions are provided for synthesizing ionic liquids from lignin derived compounds comprising: contacting a starting material comprising lignin with a depolymerization agent to depolymerize the lignin and form a mixture of aldehyde containing compounds; contacting the mixture of aldehyde containing compounds with an amine under conditions suitable to convert the mixture of aldehyde containing compounds to a mixture of amine containing compounds; and contacting the mixture of amine containing compounds with an acid under conditions suitable to form an ammonium salt, thereby preparing the ionic liquid.

  5. Synthesis and characterization of nanometer sized thermoelectric lead-antimony-silver-tellurium compounds and related materials

    International Nuclear Information System (INIS)

    Petri, Denis

    2012-01-01

    The present dissertation deals with different variants of synthesis and processing of nanocrystalline composites of various thermoelectric compounds based on lead telluride including LAST-m (AgPb m SbTe m+2 ), LASTT-m-x (AgPb m-x Sn x SbTe m+2 ), LABST-m-x (AgPb m Sb 1-x Bi x Te m+2 ), doped LAST-m and (PbTe) m (M 15 2 Te 3 ) and the characterization thereof. A new route of manufacturing nanocrystalline composites was developed. The so called co-ball milling-route includes the synthesis of bi- or multinary compounds by conventional solid state melting methods followed by combined milling of appropriate amounts in a planetary ball mill; a process related to the widely used mechanical alloying of elemental powders. The as produced powders were shortly annealed for one hour and a.erwards compacted either at room temperature followed by pressureless sintering or combined application of high pressure and elevated temperatures via spark-plasma-sintering or short-term-sintering. The ball milling yielded micron-sized agglomerates consisting of crystallites with diameters ranging from 10 to 50 nm. These crystallites exhibited complicated internal nanostructures severe crystal defects as a consequence of the high energy processing. During short-term annealing some grain coarsening occured and the crystal defects partly healed, which was confirmed by TEM and HRTEM investigations as well as profile analysis of XRD powder pattern. Local EDX-analysis showed different compositions at every point as a consequence of synthesis and decomposition of the compounds. Measurements of thermopower, electrical and thermal conductivity were carried out and the values of the figure of merit ZT and the powerfactor were calculated. In general the compounds exhibited larger thermopower than corresponding bulk materials, which might be attributed to energy filtering of charge carriers at partly oxidized grain boundaries. Due to enhanced phonon scattering at grain boundarys, nanoscopic

  6. Synthesis by plasma and characterization of compounds derived from polyacetylene

    International Nuclear Information System (INIS)

    Vasquez O, M.

    2004-01-01

    This work presents a study on, the synthesis by plasma and the characterization of an aliphatic conjugated polymer, polyacetylene-chlorinated (Pac), and two aromatic polymers, Poly pyrrole (P Py-Cl) and Poly thiophene (Pth-Cl) synthesized with chlorine and the electrical conductivity. The last two polymers were synthesized to compare the chlorine-polymer interaction in aliphatic and aromatic polymers synthesized by plasma and their repercussion on the electrical transport of charges in the material. The structure and morphology of the polymers were studied using scanning electron microscopy (Sem), energy dispersive spectroscopy (EDS), infrared spectroscopy (Ft-IR), conductivity analysis and X-Ray photon spectroscopy (XPS). The results showed that Pac is soluble in acetone and other organic solvents, which indicates a low proportion of crosslinking in the polymers. This point is important because the crosslinking reduces the electrical conductivity in the material. The Pac conductivity is in the range of 1 x 10 -12 to 6 x 10 -4 S/cm in the internal of 35- 90% of relative humidity. A possible mechanism for the transport of electrical charges in Pac is by means of the double and simple conjugated bonds in the polymers. Pth-Cl and P Py-Cl present electric conductivity in the interval of 9 x 10 -5 to 1 x 10 -2 S/cm and show a great dependence on the relative humidity. The chlorine addition in these polymers was through simultaneous polymerization with chloroform. This last compound can decompose if the energy of the plasma is relatively high, and the fragments can link to the polymer in a hybrid process of copolymerization. An important point of this work is that the polymer is soluble, a difference of the obtained via plasma as the poli aniline, P Py-CI and Pth-Cl both studied in this work. If took in account that the Pac is single the monomer and that P Py-Cl and Pth-CI is affected by the chlorine that modifies the conductivity of the material, then Pac presents an

  7. The in situ generation and reactive quench of diazonium compounds in the synthesis of azo compounds in microreactors

    OpenAIRE

    Faith M. Akwi; Paul Watts

    2016-01-01

    Summary In this paper, a micro-fluidic optimized process for the continuous flow synthesis of azo compounds is presented. The continuous flow synthesis of Sudan II azo dye was used as a model reaction for the study. At found optimal azo coupling reaction temperature and pH an investigation of the optimum flow rates of the reactants for the diazotization and azo coupling reactions in Little Things Factory-MS microreactors was performed. A conversion of 98% was achieved in approximately 2.4 min...

  8. Synthesis and preliminary evaluation of N-acylhydrazone compounds as antibacterial and antifungal agents

    International Nuclear Information System (INIS)

    Cachiba, Thomas Haruo; Carvalho, Bruno Demartini; Carvalho, Diogo Teixeira; Cusinato, Marina; Prado, Clara Gaviao; Dias, Amanda Latercia Tranches

    2012-01-01

    We describe the synthesis and evaluation of N-acylhydrazone compounds bearing different electron-donating groups in one of its aromatic rings, obtained using a four-step synthetic route. IC 50 values against pathogenic fungi and bacteria were determined by serial microdilution. Compounds showed low activity against Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa. By contrast, a derivative with a meta-oriented electron-donating group showed significant activity (IC50) against Candida albicans (17 μM), C. krusei (34 μM) and C. tropicalis (17 μM). Results suggest this is a promising lead-compound for synthesis of potent antifungal agents. (author)

  9. Single-layer dispersions of transition metal dichalcogenides in the synthesis of intercalation compounds

    International Nuclear Information System (INIS)

    Golub, Alexander S; Zubavichus, Yan V; Slovokhotov, Yurii L; Novikov, Yurii N

    2003-01-01

    Chemical methods for the exfoliation of transition metal dichalcogenides in a liquid medium to give single-layer dispersions containing quasi-two-dimensional layers of these compounds are surveyed. Data on the structure of dispersions and their use in the synthesis of various types of heterolayered intercalation compounds are discussed and described systematically. Structural features, the electronic structure and the physicochemical properties of the resulting intercalation compounds are considered. The potential of this method of synthesis is compared with that of traditional solid-state methods for the intercalation of layered crystals.

  10. Synthesis and characterization of actinide metal compounds formed by combustion

    International Nuclear Information System (INIS)

    Behrens, R.G.; King, M.A.

    1985-01-01

    This paper briefly describes the results of attempts to synthesize arsenides, phosphides, and antimonides of uranium and thorium using Self-Propagating High-Temperature Synthesis (SHS) techniques. This paper first summarizes the chemistry and thermodynamics of these chemical systems, describes SHS synthesis techniques, and then describes the results of the syntheses using data from powder x-ray diffraction, metallographic, and electron microprobe analyses

  11. Acute organophosphorus compound poisoning in cattle: A case report

    African Journals Online (AJOL)

    A case of an acute organophosphorus compound, GOLDFLEECE poisoning involving 39 cattle at Abubakar Tafawa Balewa University, Bauchi is reported. The animals were overexposed to the compound following routine tick spray. Within 15 minutes after the spray of the compound, 26 animals were recumbent showing ...

  12. Synthesis of deuterium-labelled compounds for FOTEK project

    International Nuclear Information System (INIS)

    Joergensen, O.; Egsgaard, H.; Larsen, E.

    1996-01-01

    In the FoTech project there have been utilized labelled compounds of stable isotopes as internal standards. Some of these compounds are commercially available ( 13 C-labelled PCB congeners, 13 C-labelled diethylstilbestrol for determination of anabolic steroids). Others, like D 9 -clenbuterol, D 3 -clenbuterol, D 3 -zeramol and D 3 -dimetridazol have been synthesized. General aspects of deuterium compounds labelling are considered. (EG)

  13. Facile synthesis and antimicrobial evaluation of some new heterocyclic compounds incorporating a biologically active sulfamoyl moiety.

    Science.gov (United States)

    Darwish, Elham S

    2014-01-01

    A facile and convenient synthesis of new heterocyclic compounds containing a sulfamoyl moiety suitable for use as antimicrobial agents was reported. The precursor 3-oxo-3-phenyl-N-(4-sulfamoylphenyl)propionamide was coupled smoothly with arenediazonium salt producing hydrazones which reacted with malononitrile or triethylorthoformate affording pyridazine and triazine derivatives, respectively. Also, the reactivity of the same precursor with DMF-DMA was followed by aminotriazole; aromatic aldehydes was followed by hydrazine hydrate, triethylorthoformate, or thiourea affording triazolo[1,5-a]pyrimidine, pyrazole, acrylamide, and dihydropyrimidine derivatives, respectively. On the other hand, treatment of the precursor propionamide with phenyl isothiocyanate and KOH in DMF afforded the intermediate salt which was treated with dilute HCl followed by 2-bromo-1-phenylethanone affording carboxamide derivative. While the same intermediate salt reacted in situ with chloroacetone, ethyl 2-chloroacetate, 3-(2-bromoacetyl)-2H-chromen-2-one, methyl iodide, or 2-oxo-N-phenylpropane hydrazonoyl chloride afforded the thiophene, ketene N,S-acetal, and thiadiazole derivatives, respectively. The structure of the new products was established based on elemental and spectral analysis. Antimicrobial evaluation of some selected examples from the synthesized products was carried out whereby four compounds were found to have moderate activities and one compound showed the highest activity.

  14. Synthesis of model compounds derived from natural clerodane insect antifeedants

    NARCIS (Netherlands)

    Klein Gebbinck, E.A.

    1999-01-01

    Insect antifeedants are compounds with the ability to reduce or inhibit insect feeding without directly killing the insect. Such compounds offer a number of properties that are highly desirable in environmentally friendly crop protection agents. Although the principle of insect control

  15. Synthesis and studies of some organometallic compounds of uranium IV

    International Nuclear Information System (INIS)

    Marquet-Ellis, Hubert; Folcher, Gerard.

    1975-06-01

    The organometallic compounds of uranium IV have been well known for a long-time but some difficulties in the synthese subsist. The procedures and the apparatus allowing to obtain these compounds with good yields are described. The cyclopenta dienyl compounds U(C 5 H 5 ) 3 Cl, U(C 5 H 5 ) 4 are prepared by reaction of UCl 4 with Na(C 5 H 5 ) in tetrahydrofurane. The cyclooctatetraene compound U(C 8 H 8 ) 2 ''Uranocene'' is obtained by reaction of K 2 (C 8 H 8 ) on UCl 4 in tetrahydrofurane. The NMR spectrum of the solution during the reaction shows the appearance of the product. These compounds have been identified by chemical analysis and X rays. The visible spectra of U(C 5 H 5 ) 2 Cl and U(C 8 H 8 ) 2 in gaseous phase have been obtained [fr

  16. Synthesis and characterization of phenylethynylcarbonyl terminated novel thermosetting imide compound

    Directory of Open Access Journals (Sweden)

    H. Kimura

    2013-02-01

    Full Text Available Phenylethynyl terminated novel imide compound based on 1,3-bis(3-aminophenoxybenzene (APB and phenylethynyl trimellitic anhydride (PETA were prepared. The curing behavior of phenylethynyl terminated imide compound was investigated by differential scanning calorimetry and Fourier transform infrared spectrometry. The curing reaction of phenylethynylcarbonyl end group completed at 220°C, and proceeded much faster than that of phenylethynyl end group. Glass transition temperature of the thermosetting resin from phenylethynylcarbonyl terminated novel imide compound determined by dynamic mechanical analysis was almost the same as that of o-cresolnovolac type epoxy resin. In addition, the thermosetting resin from phenylethynylcarbonyl terminated novel imide compound exhibited excellent thermal and dimensional stabilities. These excellent properties of these phenylethynyl terminated imide compound might be due to the incorporation of alkene group or aromatic ring substitutes in the backbones, which might enhance the chain interaction (molecular packing and reduce the molecular chain mobility.

  17. Synthesis and in-vivo detection of boronated compounds for use in BNCT

    International Nuclear Information System (INIS)

    Kabalka, G.W.

    1990-04-01

    The primary objective of the DOE Program at the University of Tennessee Biomedical Imaging Center is the development of new technology to detect boron compounds in-vivo. The research focuses on the development of multinuclear magnetic resonance imaging (MRI) and spectroscopy (MRS) techniques for verifying and measuring BNCT agents in-vivo. A small but significant portion of the effort is directed toward the design of boron-containing neutron-capture-therapy agents. The UT -- DOE program is unique in that it has access to two state-of-the-art multinuclear magnetic resonance imaging units housed in the Biomedical Imaging Center at the University of Tennessee Medical Center at Knoxville. Included in this report are two sections describing research accomplishments in multinuclear magnetic resonance imaging and synthesis of potential BNCT agents

  18. Combinatorial synthesis of oxazol-thiazole bis-heterocyclic compounds.

    Science.gov (United States)

    Murru, Siva; Nefzi, Adel

    2014-01-13

    A combinatorial library of novel oxazol-thiazole bis-heterocycles was synthesized in good to excellent overall yields with high purity using a solution and solid-phase parallel synthesis approach. Oxazole amino acids, prepared from serine methyl ester and amino acids via coupling and cyclodehydration, were treated with Fmoc-NCS and α-haloketones for the parallel synthesis of diverse bis-heterocycles. Fmoc-isothiocyanate is used as a traceless reagent for thiazole formation. Oxazole diversity can be achieved by using variety of amino acids, whereas thiazole diversity is produced with various haloketones.

  19. Synthesis, growth, and studies (crystal chemistry, magnetic chemistry) of actinide-based intermetallic compounds and alloys with a 1.1.1 stoichiometry

    International Nuclear Information System (INIS)

    Kergadallan, Yann

    1993-01-01

    The first part of this research thesis reports the study of the synthesis and reactivity of intermetallic compounds with a 1.1.1 stoichiometry. It presents the thermal properties of 1.1.1 compounds: general presentation of physical transitions, and of solid solutions and formation heat, application to actinides (reactivity analysis from phase diagrams, techniques of crystal synthesis and crystal growth. It describes experimental techniques: synthesis, determination of fusion temperature by dilatometry, methods used for crystal growth, characterisation techniques (metallography, X ray diffraction on powders, dilatometry). It discusses the obtained results in terms of characterisation of synthesised samples, of crystal growth, and of measurements of fusion temperature. The second part addresses crystal chemistry studies: structure of compounds with a 1.1.1 stoichiometry (Laves structures, Zr, Ti and Pu compounds), techniques of analysis by X-ray diffraction (on powders and on single crystals), result interpretation (UNiX compounds, AnTAl compounds with T being a metal from group VIII, AnTGa compounds, AnNiGe compounds, distance comparison, structure modifications under pressure). The third part concerns physical issues. The author addresses the following topics: physical properties of intermetallic 1.1.1 compounds (magnetism of yttrium phases, behaviour of uranium-based Laves phases, analysis of pseudo-binary diagrams, physical characteristics of uranium-based 1.1.1 compounds, predictions of physical measurements), analysis techniques (Moessbauer spectroscopy, SQUID for Superconducting Quantum Interference Device), and result interpretation

  20. Synthesis of tetravalent actinide chlorides. Versatile compounds for actinide chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Maerz, Juliane [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Div. Chemistry of the F-Elements

    2016-07-01

    Anhydrous actinide tetrachlorides (AnCl{sub 4}) were synthesized under mild conditions to provide versatile compounds for actinide chemistry. They enable a direct access to actinide complexes with organic and inorganic ligands.

  1. Synthesis of graphene nanoplatelets from peroxosulfate graphite intercalation compounds

    OpenAIRE

    MELEZHYK A.V.; TKACHEV A.G.

    2014-01-01

    Ultrasonic exfoliation of expanded graphite compound obtained by cold expansion of graphite intercalated with peroxodisulfuric acid was shown to allow the creation of graphene nanoplatelets with thickness of about 5-10 nm. The resulting graphene material contained surface oxide groups. The expanded graphite intercalation compound was exfoliated by ultrasound much easier than thermally expanded graphite. A mechanism for the cleavage of graphite to graphene nanoplatelets is proposed. It include...

  2. Gold-Catalyzed Cyclizations of Alkynol-Based Compounds: Synthesis of Natural Products and Derivatives

    Directory of Open Access Journals (Sweden)

    Pedro Almendros

    2011-09-01

    Full Text Available The last decade has witnessed dramatic growth in the number of reactions catalyzed by gold complexes because of their powerful soft Lewis acid nature. In particular, the gold-catalyzed activation of propargylic compounds has progressively emerged in recent years. Some of these gold-catalyzed reactions in alkynes have been optimized and show significant utility in organic synthesis. Thus, apart from significant methodology work, in the meantime gold-catalyzed cyclizations in alkynol derivatives have become an efficient tool in total synthesis. However, there is a lack of specific review articles covering the joined importance of both gold salts and alkynol-based compounds for the synthesis of natural products and derivatives. The aim of this Review is to survey the chemistry of alkynol derivatives under gold-catalyzed cyclization conditions and its utility in total synthesis, concentrating on the advances that have been made in the last decade, and in particular in the last quinquennium.

  3. Synthesis and Antibacterial Evaluation of Novel Heterocyclic Compounds Containing a Sulfonamido Moiety

    Directory of Open Access Journals (Sweden)

    Eman A. El-Bordany

    2013-01-01

    Full Text Available Aiming for the synthesis of new heterocyclic compounds containing a sulfonamido moiety suitable for use as antibacterial agents, the precursor ethyl {[4-N-(4,6-dimethylpyrimidin-2-ylsulfamoyl]phenylazo}cyanoacetate was reacted with a variety of active methylene compounds producing pyran, pyridine and pyridazine derivatives. Also, the reactivity of the precursor hydrazone towards hydrazine derivatives to give pyrazole and oxazole derivatives was studied. On the other hand, treatment of the same precursor with urea, thiourea and/or guanidine hydrochloride furnished pyrimidine and thiazine derivatives, respectively. The newly synthesized compounds were tested for antibacterial activity, whereby eight compounds were found to have high activities.

  4. The Manantali dam. Synthesis report

    International Nuclear Information System (INIS)

    Dickmann, M.; Sieburger, Dr; Ficatier, M.; Naudet, M.; Schmidt, M.; Seve, M.

    2009-01-01

    This report proposes an ex-post assessment of the Manantali dam on the Senegal river and of the related investments in Senegal, in Mauritania and in Mali. After a presentation of the methodology adopted for this assessment study performed by several organisms, the report describes the context and the concerned sectors: project costs and funding, framework for irrigated agriculture, and framework for energy. It discusses the relevance of the project with respect to irrigated agriculture and to energy. It assesses the project performance in terms of efficiency and of viability, and with respect to environmental aspects. It presents an overview of the different direct and indirect sector-based partners which are involved in energy or rural development. The next part proposes an assessment of the global impact of the project on development as far as irrigated agriculture, the energy sector, and regional cooperation and integration are concerned. A set of lessons learned and recommendations are then formulated

  5. Synthesis of Heteroaromatic Compounds by Oxidative Aromatization Using an Activated Carbon/Molecular Oxygen System

    Directory of Open Access Journals (Sweden)

    Masahiko Hayashi

    2009-08-01

    Full Text Available A variety of heteroaromatic compounds, such as substituted pyridines, pyrazoles, indoles, 2-substituted imidazoles, 2-substituted imidazoles, 2-arylbenzazoles and pyrimidin-2(1H-ones are synthesized by oxidative aromatization using the activated carbon and molecular oxygen system. Mechanistic study focused on the role of activated carbon in the synthesis of 2-arylbenzazoles is also discussed. In the final section, we will disclose the efficient synthesis of substituted 9,10-anthracenes via oxidative aromatization.

  6. Stereoselective total synthesis of the potent anti-asthmatic compound CMI-977 (LDP-977)

    Energy Technology Data Exchange (ETDEWEB)

    Dias, Luiz Carlos; Farina, Lui Strambi; Ferreira, Marco Antonio Barbosa, E-mail: ldias@iqm.unicamp.br [Universidade de Campinas (UNICAMP), SP (Brazil). Instituto de Quimica

    2013-02-15

    A short and efficient stereoselective total synthesis of CMI-977 (LDP-977), a potent and orally active anti-asthmatic compound, was developed. The key steps involve a highly diastereoselective Mukaiyama oxidative cyclization, which provides the trans-THF (tetrahydrofuran) unit and a Seyferth-Gilbert homologation to construct the triple bond in the target molecule. The synthesis of the key chiral building block was performed using Jacobsen hydrolytic kinetic resolution. (author)

  7. Stereoselective total synthesis of the potent anti-asthmatic compound CMI-977 (LDP-977)

    International Nuclear Information System (INIS)

    Dias, Luiz Carlos; Farina, Lui Strambi; Ferreira, Marco Antonio Barbosa

    2013-01-01

    A short and efficient stereoselective total synthesis of CMI-977 (LDP-977), a potent and orally active anti-asthmatic compound, was developed. The key steps involve a highly diastereoselective Mukaiyama oxidative cyclization, which provides the trans-THF (tetrahydrofuran) unit and a Seyferth-Gilbert homologation to construct the triple bond in the target molecule. The synthesis of the key chiral building block was performed using Jacobsen hydrolytic kinetic resolution. (author)

  8. Synthesis and Application of Polymeric Fluorescent Compounds Based on Coumarin

    Directory of Open Access Journals (Sweden)

    Guojun Liu

    2015-06-01

    Full Text Available In this work, a multifunctional yellowing inhibitor was synthesized by the Pechmann method. In order to obtain the target compound, 7-hydroxy-4-methyl coumarin was prepared by using the raw materials of resorcinol and ethyl acetoacetate, with toluene-p-sulfonic acid as the catalyst. New polymeric fluorescent compounds were synthesized by connecting the 7-hydroxy-4-methyl coumarin, the hindered amine light stabilizer 4-amion-2,2,6,6-tetramentylniperidine, and a series of polyethylene glycol segments into the same molecule with cyanuric chloride as a bridge. The structures of the synthesized molecules were confirmed by FT-IR, 1H NMR, and elemental analysis. The luminescent properties of the fluorescent compounds were studied by UV-vis spectroscopy and fluorescence spectroscopy. The integration effect between the fluorescent compounds and paper was tested by a scanning electron microscope. The light stability effect on the paper sheet was tested using an ultraviolet aging apparatus. The results indicate that the polymeric fluorescent compounds had a positive effect on the light stability of the high-yield pulp.

  9. Synthesis and anticonvulsant activity of certain chalcone based pyrazoline compounds

    Directory of Open Access Journals (Sweden)

    Sudhakara Rao Gerapati

    2015-09-01

    Full Text Available Convulsions are involuntary, violent, spasmodic and prolonged contractions of skeletal muscles. That means a patient may have epilepsy without convulsions and vice versa. Epilepsy is a common neurological abnormality affecting about 1% of the world population. The primary objectives of these synthesized compounds are to suppress seizures and provide neuroprotection by minimizing the effects from seizure attacks. Here some of the chalcones and chalcone based various pyrazolines were evaluated for anticonvulsant activity. Their structures have been elucidated on the basis of elemental analyses and spectroscopic studies (IR, 1H-NMR & Mass spectroscopy. A preliminary evaluation of the prepared compounds has indicated that some of them exhibit moderate to significant anticonvulsant activity compared to a diazepam standard1-3.  All compounds were tested for their anticonvulsant activity using maximal electroshock induced convulsions (MES in mice at a dose level of 4 mg/kg.b.w. The compounds  Ph1, Ph2 , Py2 ,Py3 and Py4 have shown  to  good anticonvulsant activity when doses are administered as 25mg/ kg.b.w  , reduced the phases of seizures severity and  found to be active and also  increased survival rate. Remaining compounds are less efficacious.

  10. Synthesis of high specific activity tritium labelled compounds

    International Nuclear Information System (INIS)

    Parent, P.

    1986-01-01

    Tritiated methyl iodide of high specific activity is synthetized by Fischer-Tropsch reaction of tritium with carbon monoxide, tritiated methanol obtained is reacted with hydriodic acid. It is used for the synthesis of S-adenosyl L-methionine 3 H-methyl and of diazepam 3 H-methyl derivatives. Synthesis of 3-PPP 3 H: (hydroxy-3 phenyl)-3N-n propyl [ 3 H-2.3] piperidine [ 3 H-2.3] with a specific activity of 4.25 T Bq/mM (115 Ci/mM) and of baclofene 3 H with a specific activity of 0.925 TBq (25 Ci/mM) are also described [fr

  11. Synthesis of complex compounds in the system [ReOG5]2--thiosemicarbazone acetone-Hg-acetone

    International Nuclear Information System (INIS)

    Amindzhanov, A.A.; Kurbanov, N.M.

    1993-01-01

    Present article is devoted to synthesis of complex compounds in the system [ReOG 5 ] 2- -thiosemicarbazone acetone-Hg-acetone. The literature data on complex compounds of various metals with thiosemicarbazone was summarized. The synthesis of complex compounds in the system [ReOG 5 ] 2- -thiosemicarbazone acetone-Hg-acetone was conducted. The complex compounds of rhenium with methyl ident thiosemicarbazone were synthesized.

  12. Functionalised isocoumarins as antifungal compounds: Synthesis and biological studies.

    Science.gov (United States)

    Simic, Milena; Paunovic, Nikola; Boric, Ivan; Randjelovic, Jelena; Vojnovic, Sandra; Nikodinovic-Runic, Jasmina; Pekmezovic, Marina; Savic, Vladimir

    2016-01-01

    A series of novel 3-substituted isocoumarins was prepared via Pd-catalysed coupling processes and screened in vitro for antifungal activity against Candida species. The study revealed antifungal potential of isocoumarins possessing the azole substituents, which, in some cases, showed biological properties equal to those of clinically used voriconazole. Selected compounds were also screened against voriconazole resistant Candida krusei 6258 and a clinical isolate Candida parapsilosis CA-27. Although the activity against these targets needs to be improved further, the results emphasise additional potential of this new class of antifungal compounds. Copyright © 2015 Elsevier Ltd. All rights reserved.

  13. New 1,2,4-triazine bearing compounds: molecular modeling, synthesis and biotesting

    Directory of Open Access Journals (Sweden)

    Negrutska V. V.

    2009-12-01

    Full Text Available Aim. To enlarge a spectrum of biologically active compounds in the series of the 1,2,4-triazino[5,6-b] [1,4]benzothiazine (1,2,4-TBT derivatives and reveal among them efficient inhibitors of RNA synthesis Methods. The methods of structure optimization of the 3-oxo-1,2,4-TBT by fragment-oriented substitution, the molecular doking of new structures in a virtual target, the rational chemical synthesis of the theoretically predicted compounds and their testing in the system of transcription in vitro. Results. The series of 1,2,4-TBT derivatives with substituents in the benzene and triazine cycles of a base molecule were synthesized. The testing of synthesized compounds in the in vitro transcription system directed by T7 RNA polymerase revealed the structure- and concentration-dependent inhibition of the RNA synthesis by some of these compounds. The experimental and virtual screening data for all investigated compounds have a good correlation. It was found that most effective derivative is the 3-oxo-8-butyl-1,2,4-TBT which completely inhibited transcription at the concentration of 6 mg/ml. Conclusions. The biotesting results allow us to assume that the inhibition of RNA synthesis is caused by binding of the 3-oxo- 8-butyl-1,2,4-TBT to both free RNA polymerase molecules and those including in a transcriptional complex with DNA

  14. Ionic Liquids in the Synthesis of Antioxidant Targeted Compounds

    NARCIS (Netherlands)

    Falkeborg, Mia; Berton-Carabin, Claire C.; Cheong, Ling Zhi

    2016-01-01

    Oxidation of polyunsaturated lipids is a major cause of degradation of the sensory and nutritional quality of food products. The oxidation reactions lead to formation of volatile compounds generally associated with unpleasant flavors, which damages the sensory quality of foods. Lipid oxidation is

  15. Synthesis of hetero ionic compounds using dialkylcarbonate quaternization

    Energy Technology Data Exchange (ETDEWEB)

    Friesen, Cody A.; Wolfe, Derek; Johnson, Paul Bryan

    2018-04-03

    Methods of preparing hetero ionic complexes, and ionic liquids from bisulfate salts of heteroatomic compounds using dialkylcarbonates as a primary quaternizing reactant are disclosed. Also disclosed are methods of making electrochemical cells comprising the ionic liquids, and an electrochemical cell comprising an alkaline electrolyte and a hetero ionic complex additive.

  16. Synthesis and structural characterization of actinide oxalate compounds

    International Nuclear Information System (INIS)

    Tamain, C.

    2011-01-01

    Oxalic acid is a well-known reagent to recover actinides thanks to the very low solubility of An(IV) and An(III) oxalate compounds in acidic solution. Therefore, considering mixed-oxide fuel or considering minor actinides incorporation in ceramic fuel materials for transmutation, oxalic co-conversion is convenient to synthesize mixed oxalate compounds, precursors of oxide solid solutions. As the existing oxalate single crystal syntheses are not adaptable to the actinide-oxalate chemistry or to their manipulation constrains in gloves box, several original crystal growth methods were developed. They were first validate and optimized on lanthanides and uranium before the application to transuranium elements. The advanced investigations allow to better understand the syntheses and to define optimized chemical conditions to promote crystal growth. These new crystal growth methods were then applied to a large number of mixed An1(IV)-An2(III) or An1(IV)-An2(IV) systems and lead to the formation of the first original mixed An1(IV)-An2(III) and An1(IV)-An2(IV) oxalate single crystals. Finally thanks to the first thorough structural characterizations of these compounds, single crystal X-ray diffraction, EXAFS or micro-RAMAN, the particularly weak oxalate-actinide compounds structural database is enriched, which is essential for future studied nuclear fuel cycles. (author) [fr

  17. The Synthesis of Novel Enclathration Compounds : Bis(9-amino-9 ...

    African Journals Online (AJOL)

    The stability of the clathrate complexes has been investigated by differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). Competition experiments were carried out with the compounds that successfully hosted solvent molecules in order to determine their relative affinity for these solvents. One of the ...

  18. The Synthesis of Novel Enclathration Compounds: Bis(9-amino-9 ...

    African Journals Online (AJOL)

    (DSC) and thermogravimetric analysis (TGA). Competition experiments were carried out with the compounds that successfully hosted solvent molecules in order to determine their relative affinity for these solvents. One of the hosts was also exposed to two vaporous guests in two separate experiments to assess its ability for ...

  19. Green chemistry principles in organic compound synthesis and analysis

    Directory of Open Access Journals (Sweden)

    Ruchi Verma

    2014-03-01

    Full Text Available The present review focus on various green chemistry approaches which could be utilized in the organic compounds in practical classes for undergraduate level in comparison of conventional methods. These methods avoid the usage of hazardous substances and are environmental friendly.

  20. Synthesis report: System studies Bioenergy

    International Nuclear Information System (INIS)

    Berntsson, Thore

    2003-01-01

    The present report marks the end of the research program 'System studies Bioenergy' (1998-2002). The program comprised 17 projects performed at 9 universities or research institutes. All project results were studied in order to identify: contributions to our present knowledge; possible gaps of knowledge, methodology or systems perspective that still exist; and the needs for further research. The projects can be classified into the following groups: Resource potential of forest fuels; Industrial use of biofuels; Potential for synthetic fuels (pellets, bio-oils and transportation fuels); System analysis of efficient use of biofuels; and Socio-economic analyses. The total potential for available biofuel has been estimated to be 125-175 TWh/year (excl. black liquors of paper industry). The potential demand is estimated to about 123 TWh/year, or distributed into the different sectors: Industry: 26 TWh/year, Buildings and services: 35 TWh/year, District heating: 31 TWh/year, and electric power generation (incl. cogeneration in district heating): 31 TWh/year. Further research is needed in the following areas: Systems and methodology of more generic character on optimization of production, refining and use of biofuels in order to substitute fossil fuels directly or indirectly; Heat sinks/district heating in combination with cogeneration vs. other power production in a long term perspective (> 10 years), in the light of new technologies, open markets, economic and political incentives; Energy efficiency in industry, esp. paper and pulp with its unique possibility for process integration, biofuel processing and CO 2 separation; How far should the processing/refinement of biofuels go; Importance of factors of scale; New distributed (small-scale) energy technology; International trade in biofuels; Transport and handling costs for biofuel pellets in Europe; System aspects of implementation and incentives; How are biofuels affected if CO 2 from fossil fuels can be separated and

  1. Lanthanide alkyl and silyl compounds: Synthesis, reactivity and catalysts for green

    Energy Technology Data Exchange (ETDEWEB)

    Pindwal, Aradhana [Iowa State Univ., Ames, IA (United States)

    2016-01-01

    The last few decades have witnessed enormous research in the field of organometallic lanthanide chemistry. Our research group has developed a few rare earth alkyl compounds containing tris(dimethylsilyl)methyl ligand and explored their reactivity. This thesis focusses on extending the study of lanthanide alkyl and silyl compounds to develop strategies for their synthesis and explore their reactivity and role as catalysts in processes such as hydrosilylation and cross-dehydrocoupling.

  2. Thermochemistry of some binary lead and transition metal compounds by high temperature direct synthesis calorimetry

    Energy Technology Data Exchange (ETDEWEB)

    Meschel, S.V., E-mail: meschel@jfi.uchicago.edu [Illinois Institute of Technology,Thermal Processing Technology Center, 10 W. 32nd Street, Chicago, Illinois 60615 (United States); Gordon Center for Integrated Science, 929 E. 57th Street, Chicago, Illinois 60637 (United States); Nash, P. [Illinois Institute of Technology,Thermal Processing Technology Center, 10 W. 32nd Street, Chicago, Illinois 60615 (United States); Chen, X.Q.; Wei, P. [Materials processing Modeling Division, Shenyang National Laboratory for Materials Science, Institute of Metals Research, 72 Wenhua Road, Shenyang City (China)

    2015-06-05

    Highlights: • Studied binary lead-transition metal alloys by high temperature calorimetry. • Determined the enthalpies of formation of 8 alloys. • Compared the measurements with predictions by the model of Miedema and by the ab initio method. - Abstract: The standard enthalpies of formation of some binary lead and transition metal compounds have been measured by high temperature direct synthesis calorimetry. The reported results are: Pb{sub 3}Sc{sub 5}(−61.3 ± 2.9); PbTi{sub 4}(−16.6 ± 2.4); Pb{sub 3}Y{sub 5}(−64.8 ± 3.6); Pb{sub 3}Zr{sub 5}(−50.6 ± 3.1); PbNb{sub 3}(−10.4 ± 3.4); PbRh(−16.5 ± 3.3); PbPd{sub 3}(−29.6 ± 3.1); PbPt(−34.7 ± 3.3) kJ/mole of atoms. We will compare our results with previously published measurements. We will also compare the experimental measurements with enthalpies of formation of transition metal compounds with elements in the same vertical column in the periodic table. We will compare our measurements with predicted values on the basis of the semi empirical model of Miedema and coworkers and with ab initio values when available.

  3. Synthesis of mesomeric betaine compounds with imidazolium-enolate structure

    Directory of Open Access Journals (Sweden)

    Nina Gonsior

    2012-03-01

    Full Text Available The synthesis of a heterocyclic mesomeric betaine by quaternization reaction of 1-butylimidazole and tetrabromo-1,4-benzoquinone is presented. The structure was verified by means of X-ray single-crystal analysis, NMR and IR spectroscopy. Inclusion complexes of the heterocyclic mesomeric betaine with randomly methylated (1.8 β-cyclodextrin were investigated by UV–vis spectroscopy. Furthermore, the reaction conditions were applied to poly(vinylimidazole and 1,4-bis(1H-imidazol-1-ylbutane to obtain functionalized polymer networks and condensate polymers, respectively.

  4. Hydrothermal synthesis of layered iron-chalcogenide superconductors and related compounds

    International Nuclear Information System (INIS)

    Pachmayr, Ursula Elisabeth

    2017-01-01

    This thesis provides a new preparative approach to iron-chalcogenide based superconductors. The hydrothermal synthesis of anti-PbO type FeSe, which can be seen as basis structure of the compounds of interest was successfully developed. Along with this, some insights regarding the influence of synthesis parameters were gained featuring a basis for further hydrothermal syntheses of new iron-chalcogenide compounds. The potential of this method, primarily the extension of the so far limited accessibility of iron-chalcogenide based superconductors by solid-state sythesis, was revealed within the present work. The solid-solution FeSe_1_-_xS_x was prepared for the whole substitution range, whereas solid-state synthesis exhibits a solubility limit at x = 0.3. Furthermore, the new compounds [(Li_0_._8Fe_0_._2)OH]FeX (X = Se, S) were synthesized which are exclusively accessible via hydrothermal method. The compounds, where layers of (Li_0_._8Fe_0_._2)OH alternate with FeX layers, feature exceptional physical properties, notably a coexistence of superconductivity and ferromagnetism. They were intensively studied within this work. By combination of solid-state and hydrothermal ion-exchange synthesis even large crystals necessary for subsequent physical measurements are accessible. Apart from these layered iron-chalcogenide superconductors, further compounds which likewise exhibit building blocks of edge-sharing FeSe_4 tetrahedra were found via this synthesis method. The iron selenides A_2Fe_4Se_6 (A = K, Rb, Cs) consist of double chains of [Fe_2Se_3]"1"-, whereas a new compound Na_6(H_2O)_1_8Fe_4Se_8 exhibits [Fe_4Se_8]"6"- 'stella quadrangula' clusters. This structural diversity as well as the associated physical properties of the compounds demonstrates the numerous capabilities of hydrothermal synthesis in the field of iron-chalcogenide compounds. In particular with regard to iron-chalcogenide based superconductors this synthesis strategy is encouraging. It seems probable

  5. Hydrothermal synthesis of layered iron-chalcogenide superconductors and related compounds

    Energy Technology Data Exchange (ETDEWEB)

    Pachmayr, Ursula Elisabeth

    2017-04-06

    This thesis provides a new preparative approach to iron-chalcogenide based superconductors. The hydrothermal synthesis of anti-PbO type FeSe, which can be seen as basis structure of the compounds of interest was successfully developed. Along with this, some insights regarding the influence of synthesis parameters were gained featuring a basis for further hydrothermal syntheses of new iron-chalcogenide compounds. The potential of this method, primarily the extension of the so far limited accessibility of iron-chalcogenide based superconductors by solid-state sythesis, was revealed within the present work. The solid-solution FeSe{sub 1-x}S{sub x} was prepared for the whole substitution range, whereas solid-state synthesis exhibits a solubility limit at x = 0.3. Furthermore, the new compounds [(Li{sub 0.8}Fe{sub 0.2})OH]FeX (X = Se, S) were synthesized which are exclusively accessible via hydrothermal method. The compounds, where layers of (Li{sub 0.8}Fe{sub 0.2})OH alternate with FeX layers, feature exceptional physical properties, notably a coexistence of superconductivity and ferromagnetism. They were intensively studied within this work. By combination of solid-state and hydrothermal ion-exchange synthesis even large crystals necessary for subsequent physical measurements are accessible. Apart from these layered iron-chalcogenide superconductors, further compounds which likewise exhibit building blocks of edge-sharing FeSe{sub 4} tetrahedra were found via this synthesis method. The iron selenides A{sub 2}Fe{sub 4}Se{sub 6} (A = K, Rb, Cs) consist of double chains of [Fe{sub 2}Se{sub 3}]{sup 1-}, whereas a new compound Na{sub 6}(H{sub 2}O){sub 18}Fe{sub 4}Se{sub 8} exhibits [Fe{sub 4}Se{sub 8}]{sup 6-} 'stella quadrangula' clusters. This structural diversity as well as the associated physical properties of the compounds demonstrates the numerous capabilities of hydrothermal synthesis in the field of iron-chalcogenide compounds. In particular with regard

  6. Synthesis, Structure, and Fluorescence of a Novel Cadmium Compound

    Science.gov (United States)

    Yao, Zhong-Liang; Chen, Wen-Tong

    2017-12-01

    A novel cadmium compound, [(CdI3)2(μ2-I)]2(Me2-4,4'-H2bipy)3 (1) (Me = methyl; 4,4'-bipy = 4,4'-bipyridine) with the Me2-4,4'-H2bipy moiety generated in situ, has been prepared through a solvothermal reaction and structurally characterized by X-ray single crystal diffraction analysis. Compound 1 is characterized by an isolated structural motif, consisting of [(CdI3)2(μ2-I)]3- anions and Me2-4,4'-H2bipy2+ cations. The [(CdI3)2(μ2-I)]3- anions and Me2-4,4'-H2bipy2+ cations interconnect together via C-H···I hydrogen-bonding interactions to complete a three-dimensional (3D) supramolecular network. Solid state fluorescent spectrum reveals an emission band in the violet region.

  7. Synthesis of trialkyloboron from boric oxide and organoaluminium compounds

    International Nuclear Information System (INIS)

    Synoradzki, L.; Boleslawski, M.; Pasynkiewicz, S.; Zawada, T.

    1981-01-01

    The reaction of organoaluminium compounds with boric oxide has been studied. The facility of forming trialkyloboron decreases corresponding to the sequence: RAlCl 2 >R 3 Al 2 Cl 3 >R 2 AlCl>R 3 Al. The best yields have been obtained at the temperature of the boiling point of the reaction mixture and at a vigorous mixing. The new method of simultaneous obtaining of trialkyloboron and alkylaluminium chloride having an industrial significance has been proposed. (author)

  8. Novel organophosphorus compounds; synthesis, spectroscopy and X-ray crystallography

    Czech Academy of Sciences Publication Activity Database

    Shariatinia, Z.; Sohrabi, M.; Yousefi, M.; Kovaľ, Tomáš; Dušek, Michal

    2012-01-01

    Roč. 11, č. 2 (2012), s. 125-133 ISSN 1024-1221 Grant - others:AV ČR(CZ) AP0701 Program:Akademická prémie - Praemium Academiae Institutional research plan: CEZ:AV0Z10100521 Keywords : organophosphorus compounds * NMR * X-ray crystallography * hydrogen bond Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.686, year: 2012

  9. BASIC SYNTHESIS AND BIOLOGICAL ACTIVITY OF SOME PHOSPHORCONTATNING ORGANIC COMPOUNDS CONTAINING FRAGMENTS OF UREA AND TRYHLORETILAMID

    OpenAIRE

    Gushylyk B.

    2013-01-01

    Data about directions of synthesis and use of the phosphororganic compounds in technics, biology and medicine is presented in the paper. Antimicrobial activity of 51 phosphororganic salts and ilides containing urine and threechlor ethylenamide has been studied. Perspective of the development of effective antimicrobial substances has been determined

  10. BASIC SYNTHESIS AND BIOLOGICAL ACTIVITY OF SOME PHOSPHORCONTATNING ORGANIC COMPOUNDS CONTAINING FRAGMENTS OF UREA AND TRYHLORETILAMID

    Directory of Open Access Journals (Sweden)

    Gushylyk B.

    2013-10-01

    Full Text Available Data about directions of synthesis and use of the phosphororganic compounds in technics, biology and medicine is presented in the paper. Antimicrobial activity of 51 phosphororganic salts and ilides containing urine and threechlor ethylenamide has been studied. Perspective of the development of effective antimicrobial substances has been determined

  11. Absorption tuning of the green fluorescent protein chromophore: synthesis and studies of model compounds

    DEFF Research Database (Denmark)

    Brøndsted Nielsen, Mogens; Andersen, Lars Henrik; Rinza, Tomás Rocha

    2011-01-01

    The green fluorescent protein (GFP) chromophore is a heterocyclic compound containing a p-hydroxybenzylidine attached to an imidazol-5(4H)-one ring. This review covers the synthesis of a variety of model systems for elucidating the intrinsic optical properties of the chromophore in the gas phase ...

  12. Synthesis of a new compound - Sr2CuO2CO3

    International Nuclear Information System (INIS)

    Fomichev, D.V.; Khardanov, A.L.; Antipov, E.V.; Kovba, L.M.

    1990-01-01

    A new compound of Sr 2 CuO 2 CO 3 composition, being an intermediate product of solid phase synthesis in air in SrCo 3 -CuO system at T 2 CuO 2 CO 3 have low resistance at room temperature and semiconductor type conductivity

  13. Synthesis of the Commercial Fragrance Compound Ethyl 6-Acetoxyhexanoate: A Multistep Ester Experiment for the Second-Year Organic Laboratory

    Science.gov (United States)

    McCullagh, James V.; Hirakis, Sophia P.

    2017-01-01

    This synthesis of ethyl 6-acetoxyhexanoate (Berryflor) is designed as an experiment for use in a second-year organic chemistry course focusing on the synthesis and reaction of esters. The compound is described as having a raspberry-like odor with jasmine and anise aspects. A two-step procedure for its synthesis beginning with inexpensive…

  14. Low temperature solution synthesis of zinc antimonide, manganese antimonide, and strontium ruthenate compounds

    Science.gov (United States)

    Noblitt, Jennifer Lenkner

    2011-12-01

    also be superconducting. Sr-Ru-O compounds were previously synthesized via the float zone method. There is one report of using hydrothermal synthesis, but the temperatures used were 480--630 °C. In general, hydrothermal methods are advantageous because of the potential for moderate temperatures and pressures to be used. Additionally, the reaction temperature, precursor choice, and reaction time can all be used to tune the composition and morphology of the product. Hydrothermal methods are inexpensive and a one-step synthesis which is very convenient to scale up for industrial application. This work shows how a hydrothermal method at temperatures between 140 °C and 210 °C was developed for the synthesis of the Sr-Ru-O family of compounds.

  15. Abiotic synthesis of purines and other heterocyclic compounds by the action of electrical discharges

    Science.gov (United States)

    Yuasa, S.; Flory, D.; Basile, B.; Oro, J.

    1984-01-01

    The synthesis of purines and pyrimidines using Oparin-Urey-type primitive earth atmospheres has been demonstrated by reacting methane, ethane, and ammonia in electrical discharges. Adenine, guaine, 4-aminoimidazole-5-carboxamide (AICA), and isocytosine have been identified by UV spectrometry and paper chromatography as the products of the reaction. The total yields of the identified heterocyclic compounds are 0.0023 percent. It is concluded that adenine synthesis occurs at a much lower concentration of hydrogen cyanide than has been shown by earlier studies. Pathways for the synthesis of purines from hydrogen cyanide are discussed, and a comparison of the heterocyclic compounds that have been identified in meteorites and in prebiotic reactions is presented.

  16. Synthesis and characterization of diphenyltin (IV) dithiocarbamate compounds

    International Nuclear Information System (INIS)

    Amirah Faizah Abdul Muthalib; Ibrahim Baba; Yang Farina; Mohd Wahid Samsudin

    2011-01-01

    Ten compounds of diphenyltin(IV) with N-dialkyl dithiocarbamate were successfully prepared using in situ methods. Elemental analysis data (C, H, N and S) showed an agreement with the general formula of (C 6 H 5 ) 2 Sn[S 2 CNR 1 R 2 ] (R 1 = CH 3 , C 2 H 5 , C 7 H 7 ; R 2 = C 2 H 5 , C 4 H 9 , C 6 H 1 1, iC 3 H 7 , C 7 H 7 ). The structures of these compounds have been examined by infrared spectroscopy, ultraviolet, 1 H, 13 C and 119 Sn NMR spectroscopy and X-ray crystallography. The infrared spectra of these compounds showed three important peaks for v(C...N), v(C...S) and v(C...S) bands that appeared in the region of 1474 -1499, 969 - 995 and 324 - 335 cm -1 respectively. Data for 13 C NMR spectroscopy showed an important peak in the region of 198 - 200 ppm that corresponded to the NCS 2 group. Single crystal X-ray diffraction studies showed (C 6 H 5 ) 2 Sn[S 2 CN(C 2 H 5 )(CH 3 )] 2 (1) is six coordinated and adopted a monoclinic system with space group C2/c, while (C 6 H 5 ) 2 SnCl[S 2 CN(C 7 H 7 )(iC 3 H 7 )] (2) is five coordinated, crystallized in monoclinic system with space group Pb 1 /n. Meanwhile, six coordinated (C 6 H 5 ) 2 Sn[S 2 CN(CH 3 )(iC 3 H 7 )] 2 (3) adopted a orthorhombic system with a space group Pbcn. (author)

  17. Synthesis of Chalcone and Flavanone Compound Using Raw Material of Acetophenone and Benzaldehyde Derivative

    Directory of Open Access Journals (Sweden)

    Ismiyarto Ismiyarto

    2010-06-01

    Full Text Available Synthesis of flavanoid compounds of chalcone and flavanone groups have been conducted. Flavanoid Is one of the group natural products which is mostly found in plants and have been proved to have physiological activity as drug. In this research, chalcone proup compounds that being synthesized are: chalcone, 3,4-dimethoxychalcone, 2'-hidroxy-3,4-dimethoxychalcone where as compound of flavanone group that being synthesized is 3',4'-dimethoxyflavanone. The synthesis of chalcone group are carried out based on Claisen-Schmidt reaction by using raw material of aromatic aldehydes and aromatic ketones. The synthesis in carried out by stirring at the room temperature using alkali solution as catalyst and ethanol as solvent. The synthesis of 3',4'-dimethoxyflanone is made based on the nucleophilic 1,4 addition of the unsaturated α,β ketone. The synthesis is made by refluxing 2'-hydroxy-3,4-dimethoxychalcone in alkali condition for 12 hours. The identification of flavanoid compound is carried out by using spectroscopic IR, GC-MS and 1H-NMR methods. The result of each synthesis chalcone group are follows: chalcone as yellowish solid with m.p= 50 °C and the yield is 83.39%; 3,4-dimethoxychalcone as yellow solid with m.p= 57°C and the yield is 76.00% ; 2'-hydroxy-3,4-dimethoxychalcone as orange solid with m.p= 90 °C and the yield is 74.29%, for 3',4'-dimethoxyflavanone as pale yellow solid with m.p= 80 °C and the yield is 72.00%.

  18. Abiotic synthesis of organic compounds from carbon disulfide under hydrothermal conditions.

    Science.gov (United States)

    Rushdi, Ahmed I; Simoneit, Bernd R T

    2005-12-01

    Abiotic formation of organic compounds under hydrothermal conditions is of interest to bio, geo-, and cosmochemists. Oceanic sulfur-rich hydrothermal systems have been proposed as settings for the abiotic synthesis of organic compounds. Carbon disulfide is a common component of magmatic and hot spring gases, and is present in marine and terrestrial hydrothermal systems. Thus, its reactivity should be considered as another carbon source in addition to carbon dioxide in reductive aqueous thermosynthesis. We have examined the formation of organic compounds in aqueous solutions of carbon disulfide and oxalic acid at 175 degrees C for 5 and 72 h. The synthesis products from carbon disulfide in acidic aqueous solutions yielded a series of organic sulfur compounds. The major compounds after 5 h of reaction included dimethyl polysulfides (54.5%), methyl perthioacetate (27.6%), dimethyl trithiocarbonate (6.8%), trithianes (2.7%), hexathiepane (1.4%), trithiolanes (0.8%), and trithiacycloheptanes (0.3%). The main compounds after 72 h of reaction consisted of trithiacycloheptanes (39.4%), pentathiepane (11.6%), tetrathiocyclooctanes (11.5%), trithiolanes (10.6%), tetrathianes (4.4%), trithianes (1.2%), dimethyl trisulfide (1.1%), and numerous minor compounds. It is concluded that the abiotic formation of aliphatic straight-chain and cyclic polysulfides is possible under hydrothermal conditions and warrants further studies.

  19. Synthesis, Characterization and Properties of Nanoparticles of Intermetallic Compounds

    Energy Technology Data Exchange (ETDEWEB)

    DiSalvo, Francis J. [Cornell Univ., Ithaca, NY (United States)

    2015-03-12

    The research program from 2010 to the end of the grant focused on understanding the factors important to the synthesis of single phase intermetallic nano-particles (NPs), their size, crystalline order, surface properties and electrochemical activity. The synthetic method developed is a co-reduction of mixtures of single metal precursors by strong, soluble reducing agents in a non-protic solvent, tetrahydrofuran (THF). With some exceptions, the particles obtained by room temperature reduction are random alloys that need to be annealed at modest temperatures (200 to 600 °C) in order to develop an ordered structure. To avoid significant particle size growth and agglomeration, the particles must be protected by surface coatings. We developed a novel method of coating the metal nanoparticles with KCl, a by-product of the reduction reaction if the proper reducing agents are employed. In that case, a composite product containing individual metal nanoparticles in a KCl matrix is obtained. The composite can be heated to at least 600 °C without significant agglomeration or growth in particle size. Washing the annealed product in the presence of catalyst supports in ethylene glycol removes the KCl and deposits the particles on the support. Six publications present the method and its application to producing and studying new catalyst/support combinations for fuel cell applications. Three publications concern the use of related methods to explore new lithium-sulfur battery concepts.

  20. Synthesis and Gas Phase Thermochemistry of Germanium-Containing Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Classen, Nathan Robert [Iowa State Univ., Ames, IA (United States)

    2002-01-01

    The driving force behind much of the work in this dissertation was to gain further understanding of the unique olefin to carbene isomerization observed in the thermolysis of 1,1-dimethyl-2-methylenesilacyclobutane by finding new examples of it in other silicon and germanium compounds. This lead to the examination of a novel phenylmethylenesilacyclobut-2-ene, which did not undergo olefin to carbene rearrangement. A synthetic route to methylenegermacyclobutanes was developed, but the methylenegermacyclobutane system exhibited kinetic instability, making the study of the system difficult. In any case the germanium system decomposed through a complex mechanism which may not include olefin to carbene isomerization. However, this work lead to the study of the gas phase thermochemistry of a series of dialkylgermylene precursors in order to better understand the mechanism of the thermal decomposition of dialkylgermylenes. The resulting dialkylgermylenes were found to undergo a reversible intramolecular β C-H insertion mechanism.

  1. Synthesis of positron labeled photoactive compounds: 18F labeled aryl azides for positron labeling of biochemical molecules

    International Nuclear Information System (INIS)

    Hashizume, Kazunari; Hashimoto, Naota; Miyake, Yoshihiro

    1995-01-01

    The authors have prepared various [ 18 F] fluorine labeled aryl azides as a novel photoactive compounds suitable for positron labeling of biochemical molecules. The introduction of fluorine substituents to aryl azides can be expected to have dramatic effects on their nature and reactivity toward photolysis. Positron labeled reagents for labeling proteins or peptides have recently attracted considerable attention due to their wide applicability in biochemistry and positron emission tomography (PET). Various labeled azide compounds are often used in biochemistry for radiolabeling biological molecules by photolysis, but there have been no reports on the preparation or use of fluorine-18 labeled azides. The authors now report a novel synthesis of 18 F-labeled aryl azides which will have wide application in the biochemistry and nuclear medicine as a means for 18 F-fluorine labeling for proteins, peptides, and nucleic acids. 2 tabs

  2. Synthesis of 6-Phosphofructose Aspartic Acid and Some Related Amadori Compounds

    OpenAIRE

    Hansen, Alexandar L.; Behrman, Edward J.

    2016-01-01

    We describe the synthesis and characterization of 6-phosphofructose-aspartic acid, an intermediate in the metabolism of fructose-asparagine by Salmonella. We also report improved syntheses of fructose-asparagine itself and of fructose-aspartic acid.

  3. Mechanochemical synthesis and structural characterization of three novel cocrystals of dimethylglyoxime with N-heterocyclic aromatic compounds and acetamide

    Science.gov (United States)

    Abidi, Syed Sibte Asghar; Azim, Yasser; Gupta, Abhishek Kumar; Pradeep, Chullikkattil P.

    2017-12-01

    With an aim to explore the interactions of (RR'Cdbnd Nsbnd OH) oxime moiety of dimethylglyoxime (DMG) with pyridyl ring of N-heterocyclic aromatic compounds and acetamide, three novel cocrystals of dimethylglyoxime with acridine (ACR), 1,10-phenanthroline monohydrate (PT) and acetamide (ACT) are reported. These three cocrystals were obtained with a mechanochemical synthesis approach and were characterized by single crystal X-ray diffraction (SCXRD), powder X-ray diffraction (PXRD), fourier transform-infrared spectroscopy (FT-IR), differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). Additionally, Hirshfeld surface analysis is used to investigate the intermolecular interaction and the crystal packing of cocrystals.

  4. SYNTHESIS ALKANOLAMIDE TETRAHIDROXY OCTADECANOATE COMPOUND FROM CANDLE NUT OIL

    Directory of Open Access Journals (Sweden)

    Daniel Daniel

    2010-06-01

    Full Text Available Candle nut oil could be transesterificated by methanol with concentrated H2SO4 as a catalyst to form fatty acid methyl esther. Methyl linoleate could be separated by Column Chromatography mechanism technic partition from fatty acid methyl ester (FAME mixture, then it was treated by ethanolamine at base condition in benzene as solvent and sodium methylate as a catalyst at reflux condition for 6 hours to form an alkanolamide. Alkanolamide could be epoxydized by tert-buthyl hydroperoxyde and peroxygenase as a catalyst and it was refluxed for 6 hours at 40 °C and nitrogen gas condition to form the epoxy alkanolamide octadecanoate, and then it was hydrolyzed by HCl 0.1 M to form alkanolamide tetrahidroxy octadecanoate (Polyol. Alkanolamide tetrahidroxy octadecanoate could be separated by Column Chromatography using silica gel H 40 and the eluent was the mixture of chloroform, ethyl acetate, formic acid in a ratio 90:10:1 (v/v/v/. Determination of HLB value from alknolamide tetrahydroxy octadecanoate is 13.096. Therefore, this compound was particularly suitable for application as an o/w emulsifiers. All af the reaction steps were confirmed by using FT-IR, 1H-NMR, GC-MS, Gas Chromatography and TLC.   Keywords: Esterification, Candle nut oil, Surfactant, Amidation, Polyol.

  5. Synthesis and stability of hydrogen selenide compounds at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Pace, Edward J.; Binns, Jack; Alvarez, Miriam Pena; Dalladay-Simpson, Philip; Gregoryanz, Eugene; Howie, Ross T. (Edinburgh); (CHPSTAR- China)

    2017-11-14

    The observation of high-temperature superconductivity in hydride sulfide (H2S) at high pressures has generated considerable interest in compressed hydrogen-rich compounds. High-pressure hydrogen selenide (H2Se) has also been predicted to be superconducting at high temperatures; however, its behaviour and stability upon compression remains unknown. In this study, we synthesize H2Se in situ from elemental Se and molecular H2 at pressures of 0.4 GPa and temperatures of 473 K. On compression at 300 K, we observe the high-pressure solid phase sequence (I-I'-IV) of H2Se through Raman spectroscopy and x-ray diffraction measurements, before dissociation into its constituent elements. Through the compression of H2Se in H2 media, we also observe the formation of a host-guest structure, (H2Se)2H2, which is stable at the same conditions as H2Se, with respect to decomposition. These measurements show that the behaviour of H2Se is remarkably similar to that of H2S and provides further understanding of the hydrogen chalcogenides under pressure.

  6. Synthesis and characterization of heterometallic uranyl pyridinedicarboxylate compounds

    Science.gov (United States)

    Jayasinghe, Ashini S.; Payne, Maurice K.; Forbes, Tori Z.

    2017-10-01

    The incorporation of transition metals into hybrid uranyl materials can result in more diverse structural topologies and variations in physical and chemical properties. To explore the impact of transition metals on the uranyl cation, five uranium containing bimetallic chain compounds, [(UO2)M(PDC)2(H2O)4]·4(H2O) (PDC = 2,6 pyridinedicarboxylate; M = Ni2+, Co2+, Fe2+, Zn2+, and Cu2+) were synthesized by evaporation of aqueous solutions at room temperature. The uranyl cation is complex by two PDC ligands and the transition metal cations bond to the complex to form a one-dimensional chain topology. The presence of the transition metal leads to the presence of a stronger uranyl oxo bonds as shown by the single-crystal X-ray diffraction data and the Raman spectra. Solid state diffuse reflectance UV/Visible spectra confirmed the presence of the transition metals in the structure by the broad bands that appeared at relevant wavelengths.

  7. Synthesis and biological activity of some heterocyclic compounds ...

    Indian Academy of Sciences (India)

    Administrator

    lactam) moiety. 23 such as penicillin, cephalosporin and carbapenem (figure 2). It is also associated with a variety of therapeutic activities. 24–28. In continuation of our work to develop potential antimicrobial molecules,. 29,30 we report here the ...

  8. checkCIF/PLATON report Datablock: Compound_1

    Indian Academy of Sciences (India)

    THIS REPORT IS FOR GUIDANCE ONLY. IF USED AS PART OF A REVIEW PROCEDURE. FOR PUBLICATION, IT SHOULD NOT REPLACE THE EXPERTISE OF AN EXPERIENCED. CRYSTALLOGRAPHIC REFEREE. No syntax errors found. CIF dictionary Interpreting this report. Datablock: Compound_1. Bond precision ...

  9. Synthesis and reactivity of compounds containing ruthenium-carbon, -nitrogen, and -oxygen bonds

    International Nuclear Information System (INIS)

    Hartwig, J.F.

    1990-12-01

    The products and mechanisms of the thermal reactions of several complexes of the general structure (PMe 3 ) 4 Ru(X)(Y) and (DMPM) 2 Ru(X)(Y) where X and Y are hydride, aryl, and benzyl groups, have been investigated. The mechanism of decomposition depends critically on the structure of the complex and the medium in which the thermolysis is carried out. The alkyl hydride complexes are do not react with alkane solvent, but undergo C-H activation processes with aromatic solvents by several different mechanisms. Thermolysis of (PMe 3 ) 4 Ru(Ph)(Me) or (PMe 3 ) 4 Ru(Ph) 2 leads to the ruthenium benzyne complex (PMe 3 ) 4 Ru(η 2 -C 6 H 4 ) (1) by a mechanism which involves reversible dissociation of phosphine. In many ways its chemistry is analogous to that of early rather than late organo transition metal complexes. The synthesis, structure, variable temperature NMR spectroscopy and reactivity of ruthenium complexes containing aryloxide or arylamide ligands are reported. These complexes undergo cleavage of a P-C bond in coordinated trimethylphosphine, insertion of CO and CO 2 and hydrogenolysis. Mechanistic studies on these reactions are described. The generation of a series of reactive ruthenium complexes of the general formula (PMe 3 ) 4 Ru(R)(enolate) is reported. Most of these enolates have been shown to bind to the ruthenium center through the oxygen atom. Two of the enolate complexes 8 and 9 exist in equilibrium between the O- and C-bound forms. The reactions of these compounds are reported, including reactions to form oxygen-containing metallacycles. The structure and reactivity of these ruthenium metallacycles is reported, including their thermal chemistry and reactivity toward protic acids, electrophiles, carbon monoxide, hydrogen and trimethylsilane. 243 refs., 10 tabs

  10. Synthesis and reactivity of compounds containing ruthenium-carbon, -nitrogen, and -oxygen bonds

    Energy Technology Data Exchange (ETDEWEB)

    Hartwig, J.F.

    1990-12-01

    The products and mechanisms of the thermal reactions of several complexes of the general structure (PMe{sub 3}){sub 4}Ru(X)(Y) and (DMPM){sub 2}Ru(X)(Y) where X and Y are hydride, aryl, and benzyl groups, have been investigated. The mechanism of decomposition depends critically on the structure of the complex and the medium in which the thermolysis is carried out. The alkyl hydride complexes are do not react with alkane solvent, but undergo C-H activation processes with aromatic solvents by several different mechanisms. Thermolysis of (PMe{sub 3}){sub 4}Ru(Ph)(Me) or (PMe{sub 3}){sub 4}Ru(Ph){sub 2} leads to the ruthenium benzyne complex (PMe{sub 3}){sub 4}Ru({eta}{sup 2}-C{sub 6}H{sub 4}) (1) by a mechanism which involves reversible dissociation of phosphine. In many ways its chemistry is analogous to that of early rather than late organo transition metal complexes. The synthesis, structure, variable temperature NMR spectroscopy and reactivity of ruthenium complexes containing aryloxide or arylamide ligands are reported. These complexes undergo cleavage of a P-C bond in coordinated trimethylphosphine, insertion of CO and CO{sub 2} and hydrogenolysis. Mechanistic studies on these reactions are described. The generation of a series of reactive ruthenium complexes of the general formula (PMe{sub 3}){sub 4}Ru(R)(enolate) is reported. Most of these enolates have been shown to bind to the ruthenium center through the oxygen atom. Two of the enolate complexes 8 and 9 exist in equilibrium between the O- and C-bound forms. The reactions of these compounds are reported, including reactions to form oxygen-containing metallacycles. The structure and reactivity of these ruthenium metallacycles is reported, including their thermal chemistry and reactivity toward protic acids, electrophiles, carbon monoxide, hydrogen and trimethylsilane. 243 refs., 10 tabs.

  11. Synthesis of Chlorinated Tetracyclic Compounds and Testing for Their Potential Antidepressant Effect in Mice

    Directory of Open Access Journals (Sweden)

    Usama Karama

    2016-01-01

    Full Text Available The synthesis of the tetracyclic compounds 1-(4,5-dichloro-9,10-dihydro-9,10-ethanoanthracen-11-yl-N-methylmethanamine (5 and 1-(1,8-dichloro-9,10-dihydro-9,10-ethanoanthracen-11-yl-N-methylmethanamine (6 as a homologue of the anxiolytic and antidepressant drugs benzoctamine and maprotiline were described. The key intermediate aldehydes (3 and (4 were successfully synthesized via a [4 + 2] cycloaddition between acrolein and 1,8-dichloroanthracene. The synthesized compounds were investigated for antidepressant activity using the forced swimming test. Compounds (5, (6 and (3 showed significant reduction in the mice immobility indicating significant antidepressant effects. These compounds significantly reduced the immobility times at a dose 80 mg/kg by 84.0%, 86.7% and 71.1% respectively.

  12. Synthesis of Melamine-d6 and the Feasibility of Deuterium Labeled Compounds as Internal Standard

    Directory of Open Access Journals (Sweden)

    GUO Yang-zhen

    2015-11-01

    Full Text Available S-triazine is an important chemical intermediate. Melamine belongs to s-triazine, which has been widely used as an additive in the food industry. To study the stable isotope labeling method of heterocyclic triazine compounds and its application, one step synthesis of melamine-d6 was achieved with a yield of 30% (calculate in ND4OD, which started from ND4OD by the reaction with cyanuric chloride. According to the exchange mechanism of H/D, the feasibility and the necessary conditions were discussed for applying deuterium labeled compounds in isotope dilution mass spectrometry method.

  13. Cu(II AND Zn(II COMPLEX COMPOUNDS WITH BIGUANIDES AROMATIC DERIVATIVES. SYNTHESIS, CHARACTERIZATION, BIOLOGICAL ACTIVITY

    Directory of Open Access Journals (Sweden)

    Ticuţa Negreanu-Pîrjol

    2011-05-01

    Full Text Available In this paper we report the synthesis, physical-chemical characterization and antimicrobial activity of some new complex compounds of hetero-aromatic biguanides ligands, chlorhexidine base (CHX and chlorhexidine diacetate (CHXac2 with metallic ions Cu(II and Zn(II, in different molar ratio. The synthesized complexes were characterized by elemental chemical analysis and differential thermal analysis. The stereochemistry of the metallic ions was determined by infrared spectra, UV-Vis, EPR spectroscopy and magnetic susceptibility in the aim to establish the complexes structures. The biological activity of the new complex compounds was identified in solid technique by measuring minimum inhibition diameter of bacterial and fungal culture, against three standard pathogen strains, Escherichia coli ATCC 25922, Staphilococcus aureus ATCC 25923 and Candida albicans ATCC 10231. The results show an increased specific antimicrobial activity for the complexes chlorhexidine:Cu(II 1:1 and 1:2 compared with the one of the Zn(II complexes.

  14. Enzymatic synthesis of bioactive compounds with high potential for cosmeceutical application

    OpenAIRE

    Antonopoulou, Io; Varriale, Simona; Topakas, Evangelos; Rova, Ulrika; Christakopoulos, Paul; Faraco, Vincenza

    2016-01-01

    Cosmeceuticals are cosmetic products containing biologically active ingredients purporting to offer a pharmaceutical therapeutic benefit. The active ingredients can be extracted and purified from natural sources (botanicals, herbal extracts, or animals) but can also be obtained biotechnologically by fermentation and cell cultures or by enzymatic synthesis and modification of natural compounds. A cosmeceutical ingredient should possess an attractive property such as anti-oxidant, anti-inflamma...

  15. Methods for the synthesis of aza(deaza)xanthines as a basis of biologically active compounds

    International Nuclear Information System (INIS)

    Babkov, D A; Geisman, A N; Novikov, M S; Khandazhinskaya, A L

    2016-01-01

    The review covers methods for the synthesis of aza(deaza)xanthines, i.e., fused pyrrolo-, pyrazolo- and triazolopyrimidine heterocyclic systems, which are common core structures of various biologically active compounds. The extensive range of modern synthetic approaches is organized according to target structures and starting building blocks. The presented material is intended to benefit broad audience of specialists in the fields of organic, medicinal and pharmaceutical chemistry. The bibliography includes 195 references

  16. Synthesis of graphite intercalation compound of group VI metals and uranium hexafluorides

    International Nuclear Information System (INIS)

    Fukui, Toshihiro; Hagiwara, Rika; Ema, Keiko; Ito, Yasuhiko

    1993-01-01

    Systematic investigations were made on the synthesis of graphite intercalation compounds of group VI transition metals (W and Mo) and uranium hexafluorides. The reactions were performed by interacting liquid or gaseous metal hexafluorides with or without elemental fluorine at ambient temperature. The degree of intercalation of these metal fluorides depends on the formation enthalpy of fluorometallate anion from the original metal hexafluoride, as has been found for other intercalation reactions of metal fluorides. (author)

  17. Synthesis, reactions and biological activity of some new bis-heterocyclic ring compounds containing sulphur atom

    Science.gov (United States)

    2013-01-01

    Background The derivatives of thieno[2,3-b]thiophene belong to a significant category of heterocyclic compounds, which have shown a wide spectrum of medical and industrial application. Results A new building block with two electrophilic center of thieno[2,3-b]thiophene derivatives 2 has been reported by one-pot reaction of diketone derivative 1 with Br2/AcOH in excellent yield. A variety of heteroaromatics having bis(1H-imidazo[1,2a] benzimidazole), bis(1H-imidazo[1,2-b][1,2,4]triazole)-3-methyl-4-phenylthieno[2,3-b]thiophene derivatives, dioxazolo-, dithiazolo-, and 1H-imidazolo-3-methyl-4-phenylthieno[2,3-b]thiophene derivatives as well pyrrolo, thiazolo -3-methyl-4-phenylthieno[2,3-b]thiophene derivatives have been designed, synthesized, characterized, and evaluated for their biological activity. Compounds 3–9 showed good bioassay result. These new derivatives were evaluated for anti-cancer activity against PC-3 cell lines, in vitro antioxidant potential and β-glucuronidase and α-glucosidase inhibitory activities. Compound 3 (IC50 = 56.26 ± 3.18 μM) showed a potent DPPH radical scavenging antioxidant activity and found to be more active than standard N-acetylcystein (IC50 = 105.9 ± 1.1 μM). Compounds 8a (IC50 = 13.2 ± 0.34 μM) and 8b (IC50 = 14.1 ± 0.28 μM) found as potent inhibitor of α-glucusidase several fold more active than the standard acarbose (IC50 = 841 ± 1.73 μM). Most promising results were obtained in β-glucuronidase enzyme inhibition assay. Compounds 5 (IC50 = 0.13 ± 0.019 μM), 6 (IC50 = 19.9 ± 0.285 μM), 8a (IC50 = 1.2 ± 0.0785 μM) and 9 (IC50 = 0.003 ± 0.09 μM) showed a potent inhibition of β-glucuronidase. Compound 9 was found to be several hundred fold more active than standard D-Saccharic acid 1,4-lactone (IC50 = 45.75 ± 2.16 μM). Conclusions Synthesis, characterization, and in vitro biological activity of a series of

  18. 1,3-Dipolar cycloaddition reactions of nitrile oxides in the synthesis of natural compounds and their analogues

    International Nuclear Information System (INIS)

    Kotyatkina, Anna I; Zhabinsky, Vladimir N; Khripach, Vladimir A

    2001-01-01

    The published data on the use of 1,3-dipolar cycloaddition reactions of nitrile oxides in the synthesis of natural compounds and their analogues are systematised and reviewed. The bibliography includes 145 references.

  19. Compostos alfa-diazo carbonílicos: uma estratégia atraente para a síntese orgânica alpha-diazo carbonyl compounds: an atractive estrategy in organic synthesis

    Directory of Open Access Journals (Sweden)

    Vítor F. Ferreira

    2001-08-01

    Full Text Available Diazocarbonyl compounds are a very important class of organic substances which have a long history of useful aplications in organic chemistry. The focus of this report deals with the use of diazocarbonyl compounds in a ariety of important reactions and their application in organic synthesis. These reactions are briefly summarized showing their broad scope.

  20. SYNTHESIS OF AZO COMPOUNDS DERIVATIVE FROM EUGENOL AND ITS APPLICATION AS A TITRATION INDICATOR

    Directory of Open Access Journals (Sweden)

    Bambang Purwono

    2010-06-01

    Full Text Available The synthesis of azo compounds from eugenol has been carried out by diazotation reaction. The diazonium salt was produced by reaction of aniline and sodium nitrite in acid condition at 0-5 °C temperature to yield benzenediazonium chloride salt. The salt was then reacted with eugenol to produce the azo derivatives. The azo product was analyzed by IR, 1H-NMR, dan GC-MS spectrometer. The results showed that the reaction of benzenediazonium chloride with eugenol gave 4-allyl-2-methoxy-6-hydroxyazobenzene in 34.27% yield for 30 minutes reaction. The derivative of azo compound was dissolved in ethanol and then the color changing was observed in range of pH 9.8-11.1 from yellow to red. Application for titration indicator for acetic acid titrated with sodium hydroxide showed error less than 3.20% compared with phenol phtaline indicator.   Keywords: Eugenol, Azo compound, titration indicator

  1. [Synthesis and regulation of flavor compounds derived from brewing yeast: Esters].

    Science.gov (United States)

    Loviso, Claudia L; Libkind, Diego

    2018-04-04

    During brewing process yeast produce more than 500 chemical compounds that can negatively and positively impact beer at the organoleptic level. In recent years, and particularly thanks to the advancement of molecular biology and genomics, there has been considerable progress in our understanding about the molecular and cellular basis of the synthesis and regulation of many of these flavor compounds. This article focuses on esters, responsible for the floral and fruity beer flavor. Its formation depends on various enzymes and factors such as the concentration of wort nutrients, the amount of dissolved oxygen and carbon dioxide, fermentation temperature and mainly the genetics of the yeast used. We provide information about how the esters originate and how is the impact of different fermentative parameters on the final concentrations of these compounds and the quality of the end product. Copyright © 2018 The Authors. Publicado por Elsevier España, S.L.U. All rights reserved.

  2. Hybrid Compounds Strategy in the Synthesis of Oleanolic Acid Skeleton-NSAID Derivatives

    Directory of Open Access Journals (Sweden)

    Anna Pawełczyk

    2016-04-01

    Full Text Available The current study focuses on the synthesis of several hybrid individuals combining a natural oleanolic acid skeleton and synthetic nonsteroidal anti-inflammatory drug moieties (NSAIDs. It studied structural modifications of the oleanolic acid structure by use of the direct reactivity of hydroxyl or hydroxyimino groups at position C-3 of the triterpenoid skeleton with the carboxylic function of anti-inflammatory drugs leading to new perspective compounds with high potential pharmacological activities. Novel ester- and iminoester-type derivatives of oleanolic unit with the different NSAIDs, such as ibuprofen, aspirin, naproxen, and ketoprofen, were obtained and characterized. Moreover, preliminary research of compounds obtaining structure stability under acidic conditions was examined and the PASS method of prediction of activity spectra for substances was used to estimate the potential biological activity of these compounds.

  3. Synthesis and biological activity of sulfur compounds showing structural analogy with combretastatin A-4

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Edson dos A. dos; Prado, Paulo C.; Carvalho, Wanderley R. de; Lima, Ricardo V. de; Beatriz, Adilson; Lima, Denis P. de, E-mail: denis.lima@ufms.br [Universidade Federal de Mato Grosso do Sul (UFMS), Campo Grande, MS (Brazil). Departamento de Quimica; Hamel, Ernest [Screening Technologies Branch, Developmental Therapeutics Program, Division of Cancer Treatment and Diagnosis, National Cancer Institute at Frederick, National Institutes of Health, Frederick, MD (United States); Dyba, Marzena A. [Basic Science Program , SAIC-Frederick, Inc., Structural Biophysics Laboratory National Cancer Institute, Frederick, MD (United States); Albuquerque, Sergio [Universidade de Sao Paulo (USP), Ribeirao Preto, SP (Brazil). Faculdade de Ciencias Farmaceuticas

    2013-09-01

    We extended our previous exploration of sulfur bridges as bioisosteric replacements for atoms forming the bridge between the aromatic rings of combretastatin A-4. Employing coupling reactions between 5-iodo-1,2,3-trimethoxybenzene and substituted thiols, followed by oxidation to sulfones with m-CPBA, different locations for attaching the sulfur atom to ring A through the synthesis of nine compounds were examined. Antitubulin activity was performed with electrophoretically homogenous bovine brain tubulin, and activity occurred with the 1,2,3-trimethoxy-4-[(4-methoxyphenyl)thio]benzene (12), while the other compounds were inactive. The compounds were also tested for leishmanicidal activity using promastigote forms of Leishmania braziliensis (MHOM/BR175/M2904),and the greatest activity was observed with 1,2,3-trimethoxy-4-(phenylthio)benzene (10) and 1,2,3-trimethoxy-4-[(4-methoxyphenyl) sulfinyl]benzene (15). (author)

  4. THE CHARACTERISTICS OF THE INFORMATION CONTAINED IN THE SYNTHESIS REPORTS

    Directory of Open Access Journals (Sweden)

    Aurelia DUMITRU

    2017-08-01

    Full Text Available This study aims to highlight the main qualitative features of the information to be included in the synthesis accounting reports. The prerequisites of the paper are the fact that the synthesis financial reports are cardinal documents of all economic entities and the fact that the quality of the information retained in these reports depends on the competitiveness, efficiency and good activity of the economic entities. The conclusion to be reached is that the information contained in the synthesis reports must be opportunity, comparability, intelligibility, verifiability.

  5. Comprehensive coordination chemistry. The synthesis, reactions, properties and applications of coordination compounds. V.3. Main group and early transition elements

    International Nuclear Information System (INIS)

    Wilkinson, Geoffrey; Gillard, R.D.; McCleverty, J.A.

    1987-01-01

    Comprehensive coordination chemistry reviews the synthesis reactions and properties of coordination compounds. Their uses in such diverse fields as nuclear fuels, toxicology, medicine and biology are discussed. Volume three concentrates on the main group and early transition element coordination compounds. (UK)

  6. Phenolic compounds in cultures of tissues of tea plants and the effect of light on their synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Koretskaya, T.F.; Zaprometov, M.N.

    1975-01-01

    Stem and leaf calluses of tea plants (Camellia sinensis) retain the capacity for synthesis of phenolic compounds. The content of phenolic compounds comprises 2 to 5 percent of dry weight, the main share (80 to 95 percent) belonging to catechins and leucoanthocyans, including their polymeric forms. The following compounds were detected in callus tissue: (--)-epicatechin, (+)-catechin, two leucoanthocyans, and several unidentified phenolic compounds that fluoresce in UV. (--)-Epicatechin is predominant. In contrast to tissues of an intact plant, the callus does not contain gallocatechins or free gallic acid under the given cultivation conditions. The content of phenolic compounds changes in proportion to callus growth, their greatest amount being formed during the phase of intensive growth. Light stimulates synthesis of phenolic compounds, including the most reduced group of flavonoids, viz., leucoanthocyans and catechins.

  7. Synthesis and chemical recycling of high polymers using C1 compounds; C1 kagobutsu ni yoru kobunshi no chemical recycle

    Energy Technology Data Exchange (ETDEWEB)

    Masuda, T. [National Institute of Materials and Chemical Research, Tsukuba (Japan)

    1997-09-01

    The paper outlined a study of the synthesis of high polymers using C1 compounds which are continuously usable chemical materials and the related compounds such as the derivatives, and also the chemical recycle. In the case of waste plastics mixed in urban refuse, effective is the chemical recycle where C1 compounds obtained by gasifying the mixed waste are used as high polymer material. For the synthesis and recycle of high polymers using C1 compounds, there are three routes: Route A (recycle via high polymer materials), Route B (recycle via C1 compounds and high polymer materials), and Route C including global-scale carbon recycle (recycle via carbon dioxide from biodegradable plastics using microorganism). Among high polymers, those that can be synthesized from C1 compounds, for example, polymethylene, polyacetal and polyketone can be chemically recycled by Route B. 30 refs., 2 figs., 1 tab.

  8. Synthesis of 6-phosphofructose aspartic acid and some related Amadori compounds.

    Science.gov (United States)

    Hansen, Alexandar L; Behrman, Edward J

    2016-08-05

    We describe the synthesis and characterization of 6-phosphofructose-aspartic acid, an intermediate in the metabolism of fructose-asparagine by Salmonella. We also report improved syntheses of fructose-asparagine itself and of fructose-aspartic acid. Copyright © 2016 Elsevier Ltd. All rights reserved.

  9. Synthesis and evaluation of the plant growth regulator property of indolic compounds derived from safrole

    International Nuclear Information System (INIS)

    Marchi, Irineu; Rebelo, Ricardo Andrade; Rosa, Flavia A. Fernandes da; Maiochi, Riceli A.

    2007-01-01

    The present work describes the use of piperonal, a derivative of the secondary metabolite safrole, for the synthesis of new 5,6-methylenedioxy substituted indole carboxylic acids structurally related to the indol-3-yl-acetic acid (AIA, I). The route comprises six steps beginning with piperonal with an overall yield of 19%. Compound IX was tested towards its plant growth regulator properties in bioassays specific for auxine activity. The in vitro assays were performed in a germination chamber and were of two types: root growth in germinated seeds of Lactuca sativa, Cucumbis sativus and Raphanus sativus and peciole biotest using Phaseolus vulgaris. (author)

  10. Synthesis of superheavy elements and dinuclear-system concept of compound-nucleus formation

    Energy Technology Data Exchange (ETDEWEB)

    Antonenko, N.V.; Adamian, G.G.; Cherepanov, E.A. [Joint Institute for Nuclear Research, Dubna (Russian Federation)] [and others

    1996-12-31

    Dinuclear system concept is applied to the analysis of reactions used for the synthesis of elements with Z = 110, 112, 114, and 116. The inner fusion barriers obtained for these reactions are in good agreement with the experimental estimations resulted from the excitation energies of compound nuclei. A model is suggested for the calculation of the competition between complete fusion and quasifission in reactions with heavy nuclei. The fusion rate through the inner fusion barrier in mass asymmetry is found by using the multidimensional Kramers-type stationary solution of the Fokker-Planck equation. The influence of dissipative effects on the dynamics of nuclear fusion is considered.

  11. Organocatalytic Michael and Friedel–Crafts reactions in enantioselective synthesis of biologically active compounds

    International Nuclear Information System (INIS)

    Maltsev, O V; Beletskaya, Irina P; Zlotin, Sergei G

    2011-01-01

    Recent applications of organocatalytic Michael and Friedel–Crafts reactions in enantioselective synthesis of biologically active compounds: natural products, pharmaceutical agents and plant protection agents are reviewed. The key mechanisms of stereoinduction, types of organocatalysts and reagents used in these reactions are considered. The material is classified according to the type of newly formed bonds incorporating the asymmetric carbon atom, and the information for the most numerous C–C coupling reactions is systematized according to the natures of the electrophile and the nucleophile. The bibliography includes 433 references.

  12. Zinc-Catalyzed Synthesis of Conjugated Dienoates through Unusual Cross-Couplings of Zinc Carbenes with Diazo Compounds.

    Science.gov (United States)

    Mata, Sergio; González, María J; González, Jesús; López, Luis A; Vicente, Rubén

    2017-01-23

    Zinc-catalyzed selective cross-coupling of two carbene sources, such as vinyl diazo compounds and enynones, enabled the synthesis of conjugated dienoate derivatives. This reaction involved the unprecedented coupling of a zinc furyl carbene with vinyl diazo compounds through the γ-carbon. Alternatively, dienoates were also prepared by a commutative cross-coupling of zinc vinyl carbenes generated from cyclopropenes and simple diazo compounds. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Development of Ni-Based Catalysts Derived from Hydrotalcite-Like Compounds Precursors for Synthesis Gas Production via Methane or Ethanol Reforming

    OpenAIRE

    Ya-Li Du; Xu Wu; Qiang Cheng; Yan-Li Huang; Wei Huang

    2017-01-01

    As a favorably clean fuel, syngas (synthesis gas) production has been the focus of concern in past decades. Substantial literatures reported the syngas production by various catalytic reforming reactions particularly in methane or ethanol reforming. Among the developed catalysts in these reforming processes, Ni-based catalysts from hydrotalcite-like compounds (HTLcs) precursors have drawn considerable attention for their preferable structural traits. This review covers the recent literature r...

  14. Synthesis and photodegradation studies of analogues of muscle relaxant 1,4-dihydropyridine compounds

    Directory of Open Access Journals (Sweden)

    Gündüz Miyase Gözde

    2017-09-01

    Full Text Available This paper describes the synthesis of 1,4-dihydropyridine compounds (DHPs endowed with good muscle relaxant activity and stability to light. Six new condensed DHPs were synthesized by the microwave irradiation method. A long-chain ester moiety [2-(methacryloyloxyethyl] and various substituents on the phenyl ring were demonstrated to affect the muscle relaxant activity occurring in isolated rabbit gastric fundus smooth muscle strips. Forced photodegradation conditions were applied to the molecules according to the ICH rules. The degradation profile of the drugs was monitored by spectrophotometry coupled with the multivariate curve resolution technique. Formation of the oxidized pyridine derivative was observed for all the studied DHPs, except for one compound, which showed very fast degradation and formation of a second photo-product. Pharmacological tests on the molecules showed a good muscle relaxing effect, with a mechanism similar to that of nifedipine, however, proving to be more stable to light.

  15. Synthesis of esters of morpholino-4-carbothionothiolic acid as compounds of potential radioprotective action

    Energy Technology Data Exchange (ETDEWEB)

    Strzelczyk, M.; Kucharski, A. (Wojskowa Akademia Medyczna, Lodz (Poland))

    1979-01-01

    The compounds of the group of dithiocarbaminianes as complexing compounds are of importance in radioprotection. Present paper concerns the synthesis of 19, as yet undescribed dithiocarbaminianes esters of morpholino-4-carbothionothiolic acid. They were obtained in the reaction of the potassium salt of the mentioned acid with adequate alkyl or alkyloaryl halogenatas. Potassium salt of the morpholino-4-carbothionothiolic acid was obtained in the reaction of morpholine with carbon disulphite in the presence of potassium hydroxide. Obtaining of the pure potassium salt of the mentioned acid enabled the accurate calculation of the used substarate in further reactions and conduction of reaction in different solvents. Phenyloalkyl, phenacyl and morpholino-4-carbonyloalkyl esters were obtained. Their chemical structure was confirmed by elementary and spectral infrared analysis.

  16. BIOGENIC VS. ABIOGENIC ISOTOPE SIGNATURES OF REDUCED CARBON COMPOUNDS: A LESSON FROM HYDROTHERMAL SYNTHESIS EXPERIMENTS

    International Nuclear Information System (INIS)

    Horita, J.

    2001-01-01

    With growing interest in and demonstrated cases of inorganic hydrothermal synthesis of reduced or organic carbon compounds from CO and CO(sub 2), it becomes crucial to establish geochemical criteria to distinguish reduced/organic carbon compounds of abiogenic origin from those of biogenic origin with overwhelming abundances on the surface and in subsurface of the Earth. Chemical and isotopic compositions, particularly(sup 13)C/(sup 12)C ratios, of reduced/organic carbon compounds have been widely utilized for deducing the origins and formation pathways of these compounds. An example is isotopic and C(sub 1)/(C(sub 2)+C(sub 3)) ratios of natural gases, which have been used to distinguish bacterial, thermogenic, and possible abiogenic origins. Another example is that ancient graphitic carbon with(delta)(sup 13)C values c-25per thousand has been considered of biogenic origin. Although these criteria could be largely valid, growing data including those from our hydrothermal experiments suggest that a great caution must be exercised

  17. Electroactive chain-like compounds constructed from trimetallic clusters and 4,4'-bipyridine spacers: one-pot synthesis, characterization and surface binding.

    Science.gov (United States)

    Abe, Masaaki; Inatomi, Atsushi; Hisaeda, Yoshio

    2011-03-14

    This paper reports the synthesis and characterization of a novel series of chain-like compounds where oxo-centered triruthenium cluster moieties are bridged by 4,4'-bipyridine (4,4'-bpy) spacers. A reaction of solvent-coordinated triruthenium "monomer" precursor [Ru(3)O(CH(3)CO(2))(6)(CO)(CH(3)OH)(2)] with a 0.1 equimolar amount of 4,4'-bpy in CH(3)OH gave mixture of chain-like compounds containing "dimers" to "tetramers" which were cleanly separated by column chromatography and characterized by spectroscopic and electrochemical methods. Cyclic voltammetry revealed that all chain-like compounds exhibit reversible and stepwise redox processes in solution with very weak intramolecular coupling between the triruthenium components across the 4,4'-bpy bridge. Photo-induced dissociation of CO from the compounds and electrode surface binding were also investigated.

  18. 2000 Annual report: synthesis; 2000 Resenia de actividades

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2001-07-01

    This synthesis of the Annual Report 2000 present information of the main activities on the scope of the radiation protection and nuclear safety of the Nuclear Regulatory Authority (NRA) of the Argentina during 2000.

  19. Synthesis, biological evaluation, and structure-activity relationship of clonazepam, meclonazepam, and 1,4-benzodiazepine compounds with schistosomicidal activity.

    Science.gov (United States)

    Menezes, Carla M S; Rivera, Gildardo; Alves, Marina A; do Amaral, Daniel N; Thibaut, Jean Pierre B; Noël, François; Barreiro, Eliezer J; Lima, Lídia M

    2012-06-01

    The inherent morbidity and mortality caused by schistosomiasis is a serious public health problem in developing countries. Praziquantel is the only drug in therapeutic use, leading to a permanent risk of parasite resistance. In search for new schistosomicidal drugs, meclonazepam, the 3-methyl-derivative of clonazepam, is still considered an interesting lead-candidate because it has a proven schistosomicidal effect in humans but adverse effects on the central nervous system did not allow its clinical use. Herein, the synthesis, in vitro biological evaluation, and molecular modeling of clonazepam, meclonazepam, and analogues are reported to establish the first structure-activity relationship for schistosomicidal benzodiazepines. Our findings indicate that the amide moiety [N(1) H-C(2) (=O)] is the principal pharmacophoric unit of 1,4-benzodiazepine schistosomicidal compounds and that substitution on the amide nitrogen atom (N(1) position) is not tolerated. © 2012 John Wiley & Sons A/S.

  20. Synthesis and study of the magnetic properties of thallium-based over-doped superconducting compounds

    International Nuclear Information System (INIS)

    Opagiste, C.

    1994-07-01

    The synthesis, structure and magnetic properties of the normal and superconducting states of over-doped Tl 2 Ba 2 Cu O 6±x and Tl 2 Ba 2 Ca Cu 2 O 8±x superconducting compounds, are presented. Synthesis under high pressure using Tl 2 Ba 2 O 5 as a precursor avoids thallium losses and Ba Cu O 2 formation. The entire over-doped region has been investigated (Tc ranging from 0 to 92 K) and the different stability zones for the two crystallographic structures have been explored. The orthorhombic structure is shown to be stoichiometric in cations, while the tetragonal one could present thallium deficiency. Clear correlations have been established between Tc and the lattice parameters for the two phases. It has been observed that the Meissner fraction increased with Tc and that the reversibility domain was more extended for samples having a Tc near the maximal value, which must be linked to the decrease of the anisotropy with over-doping. In the reversible regime, the mixed state is affected by thermal fluctuations around Tc. Evolution of the penetration depth with Tc is examined; it shows that the optimum doped compound (maximal Tc) behaves as a BCS type superconductor. The over-doping results in a penetration depth behaviour which strongly deviates from the standard model (BCS, two fluids). The zero temperature, obtained by extrapolation, seems to be independent of the over-doping. 54 figs., 3 tabs., 168 refs

  1. Economy of Catalyst Synthesis-Convenient Access to Libraries of Di- and Tetranaphtho Azepinium Compounds.

    Science.gov (United States)

    Tharamak, Sorachat; Knittl-Frank, Christian; Manaprasertsak, Auraya; Pengsook, Anchulee; Suchy, Lydia; Schuller, Philipp; Happl, Barbara; Roller, Alexander; Widhalm, Michael

    2018-03-24

    Efficient optimization procedures in chiral catalysis are usually linked to a straightforward strategy to access groups of structurally similar catalysts required for fine-tuning. The ease of building up such ligand libraries can be increased when the structure-modifying step (introduction of a substituent) is done at a later stage of the synthesis. This is demonstrated for the extended family of di- and tetranaphtho azepinium compounds, widely used as chiral phase transfer catalysts (PTC). Using 2,6-diiodo-4,5-dihydro-3 H -dinaphtho[2,1-c:1',2'-e]azepine and 4,8-diiodo-6,7-dihydro-5 H -dibenzo[c,e]azepine, respectively, as key intermediates, 18 spiro -azepinium compounds were synthesized in a total yield of 25-42% over 6-7 steps from 1,1'-binaphthyl-2,2'-dicarboxylic acid or diphenic acid, respectively. The replacement of iodo groups with aryl substituents was performed as the last or the penultimate step of the synthesis.

  2. Tomo-synthesis. Bibliographic study report

    International Nuclear Information System (INIS)

    2016-01-01

    Tomo-synthesis is a recent technique for breast imaging. This technique, qualified as 'pseudo-3D', draws the attention of health professionals. Indeed, this technique could offer a gain in sensibility and in specificity in the detection of breast cancers compared to 2D mammography, thanks to the reduction of the tissues' overlapping in particular. Although its place and its clinical indication are not still clearly defined, tomo-synthesis is already used in France. The introduction of this technique within the national breast cancer screening program, seems to be foreseen by the authorities in the coming years. IRSN, in the scope of its mission of evaluation of the dose impact of innovative techniques, is closely interested in this technique and has proceeded in 2015 to a bibliographical review of the state of the art in tomo-synthesis. This review paid specific attention to the following points: conception of the installations, dose, image quality and quality control. it has highlighted several points of attention, which incite IRSN to formulate certain recommendations to accompany the spreading of this new technique in France. Most of the clinical trials validating the use of tomo-synthesis were realized on systems of a single manufacturer. However, manufacturers' strategies of design are heterogeneous. There is no unique technique of tomo-synthesis but several, of which equivalence in terms of technical and clinical performances is not demonstrated. Due to the heterogeneity of the different models available on the French market, IRSN recommends not to extrapolate the results of clinical studies obtained on a specific system but to consolidate them for all the available systems. In many imaging departments, tomo-synthesis is already implemented in addition or in substitution of 2D mammography without any regulatory quality control and periodic technical checks. The European reference standard for quality control of these devices is not yet

  3. Synthesis of some new thiophene and thiopyrimidine compounds of expected anticancer activity and studying the augmenting effect of gamma radiation

    International Nuclear Information System (INIS)

    Zaher, N.H.M.

    2010-01-01

    The present investigation comprises a survey on the synthesis of, thiophene, thieno[2,3-d]pyrimidines, triazolothieno[2,3-d]-pyrimidines, thiadiazolothieno[2,3-d]pyrimidines. The thesis involves the synthesis of the following reported starting and intermediate compounds needed for the synthesis of the new intermediates and final compounds: Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate (I).+ Diethyl-5-isothiocyanato-3-methylthiophene-2,4-dicarboxylate (II) Diethyl 5-(hydrazinecarbothioamido)-3-methylthiophene-2,4- dicarboxylate (XI). Potassium 3-amino-6-(ethoxycarbonyl)-5-methyl-4-oxo-3,4- dihydrothieno[2,3-d]pyrimidine-2-thiolate (XII). .. Ethyl 3-amino-5-methyl-4-oxo-2-sulfanyl-1,2,3,4-tetrahydrothieno[ 2,3-d]pyrimidine-6-carboxylate (XIII) Ethyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate (XXV). Diethyl 5-isothiocyanato-3-methylthiophene-2,4-dicarboxylate (II) was synthesized by thiophosogenation of diethyl 5-amino-3-methylthiophene- 2,4-dicarboxylate (I). Ethyl 3-amino-5-methyl-4-oxo-2-sulfanyl-1,2,3,4-tetrahydrothieno[ 2,3-d]pyrimidine-6-carboxylate (XIII) was prepared by reacting (II) with hydrazine hydrate in dichloromethane at room temperature. The new potassium salt (XII) was obtained by heating diethyl 5-(hydrazinecarbothioamido)- 3-methylthiophene-2,4-dicarboxylate (XI) in an ethanolic potassium hydroxide solution. Acidification of an aqueous solution of potassium 3-amino-6-(ethoxycarbonyl)-5-methyl-4-oxo-3,4- dihydrothieno[2,3-d]pyrimidine-2-thiolate (XII) gave the sulfanyl-Namino substituted thienopyrimidine compound (XIII). Ethyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate (XXV) was synthesized by the reaction of ethylacetoacetate, sulfur, malononitrile and diethylamine in ethanol stirred in ice bath. Ethyl 4-cyano-5- ethoxymethylene amino-3-methylthiophene-2-carboxylate, (XXVI) a VI new intermediate was obtained upon the nucleophilic reaction of (XXV) with triethylorthoformate in acetic anhydride. The reaction of (XXVI) with hydrazine

  4. Induction of the synthesis of bioactive compounds of the marine alga Tetraselmis tetrathele (West) Butcher grown under salinity stress

    OpenAIRE

    Hala Yassin El-Kassas; Mostafa M. El-Sheekh

    2016-01-01

    This work aims at the induction of the synthesis bioactive compounds in microalgae which are used in aquacultures. Experiments were done using Tetraselmis tetrathele in batch culture for 8 days under different salinity levels. The growth of the alga at salinity 20 ppm was increased by fivefold and synthesis of carotenoids by 20-fold in comparison to the controlled. Increasing NaCl concentration resulted in increasing the fatty acid accumulation in T. tetrathele cells. Saturated fatty acids we...

  5. Synthesis and Antiplatelet Activity of Antithrombotic Thiourea Compounds: Biological and Structure-Activity Relationship Studies

    Directory of Open Access Journals (Sweden)

    André Luiz Lourenço

    2015-04-01

    Full Text Available The incidence of hematological disorders has increased steadily in Western countries despite the advances in drug development. The high expression of the multi-resistance protein 4 in patients with transitory aspirin resistance, points to the importance of finding new molecules, including those that are not affected by these proteins. In this work, we describe the synthesis and biological evaluation of a series of N,N'-disubstituted thioureas derivatives using in vitro and in silico approaches. New designed compounds inhibit the arachidonic acid pathway in human platelets. The most active thioureas (compounds 3d, 3i, 3m and 3p displayed IC50 values ranging from 29 to 84 µM with direct influence over in vitro PGE2 and TXA2 formation. In silico evaluation of these compounds suggests that direct blockage of the tyrosyl-radical at the COX-1 active site is achieved by strong hydrophobic contacts as well as electrostatic interactions. A low toxicity profile of this series was observed through hemolytic, genotoxic and mutagenic assays. The most active thioureas were able to reduce both PGE2 and TXB2 production in human platelets, suggesting a direct inhibition of COX-1. These results reinforce their promising profile as lead antiplatelet agents for further in vivo experimental investigations.

  6. Intramolecular Diels–Alder reaction as a key step in tandem or sequential processes: a versatile tool for the synthesis of fused and bridged bicyclic or polycyclic compounds.

    Digital Repository Service at National Institute of Oceanography (India)

    Parvatkar, P.T.; Kadam, H.K.; Tilve, S.G.

    This review summarizes the recent examples of tandem or sequential reactions used for the last 10 years for the synthesis of fused and bridged bicyclic or polycyclic compounds with IMDA cycloaddition as the key means to access these compounds...

  7. Some chemical synthesis of 14C labelled compounds of pharmaceutical or biological interest

    International Nuclear Information System (INIS)

    Pichat, I.; Baret, C.; Audinot, M.; Herbert, M.; Lambin, J.

    1955-01-01

    The recent discovery of the tuberculostatic properties of the hydrazide of isonicotinic acid (so-called 'Isoniazide', 'Rimifon') has raised considerably its interest, as for metabolic studies which it is more interesting to have it labelled with 14 C. We describe in this report the chemical synthesis of 14 C carboxyl labelled isoniazide which were done in the pyridine ring to highlight his metabolic function on the Koch's bacillus. (M.B.)

  8. Some chemical synthesis of {sup 14}C labelled compounds of pharmaceutical or biological interest

    Energy Technology Data Exchange (ETDEWEB)

    Pichat, I; Baret, C; Audinot, M; Herbert, M; Lambin, J [Commissariat a l' Energie Atomique, Lab. du Fort de Chatillon, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

    1955-07-01

    The recent discovery of the tuberculostatic properties of the hydrazide of isonicotinic acid (so-called 'Isoniazide', 'Rimifon') has raised considerably its interest, as for metabolic studies which it is more interesting to have it labelled with {sup 14}C. We describe in this report the chemical synthesis of {sup 14}C carboxyl labelled isoniazide which were done in the pyridine ring to highlight his metabolic function on the Koch's bacillus. (M.B.)

  9. Enhancing transparency in reporting the synthesis of qualitative research: ENTREQ

    Science.gov (United States)

    2012-01-01

    Background The syntheses of multiple qualitative studies can pull together data across different contexts, generate new theoretical or conceptual models, identify research gaps, and provide evidence for the development, implementation and evaluation of health interventions. This study aims to develop a framework for reporting the synthesis of qualitative health research. Methods We conducted a comprehensive search for guidance and reviews relevant to the synthesis of qualitative research, methodology papers, and published syntheses of qualitative health research in MEDLINE, Embase, CINAHL and relevant organisational websites to May 2011. Initial items were generated inductively from guides to synthesizing qualitative health research. The preliminary checklist was piloted against forty published syntheses of qualitative research, purposively selected to capture a range of year of publication, methods and methodologies, and health topics. We removed items that were duplicated, impractical to assess, and rephrased items for clarity. Results The Enhancing transparency in reporting the synthesis of qualitative research (ENTREQ) statement consists of 21 items grouped into five main domains: introduction, methods and methodology, literature search and selection, appraisal, and synthesis of findings. Conclusions The ENTREQ statement can help researchers to report the stages most commonly associated with the synthesis of qualitative health research: searching and selecting qualitative research, quality appraisal, and methods for synthesising qualitative findings. The synthesis of qualitative research is an expanding and evolving methodological area and we would value feedback from all stakeholders for the continued development and extension of the ENTREQ statement. PMID:23185978

  10. The route from problem to solution in multistep continuous flow synthesis of pharmaceutical compounds.

    Science.gov (United States)

    Bana, Péter; Örkényi, Róbert; Lövei, Klára; Lakó, Ágnes; Túrós, György István; Éles, János; Faigl, Ferenc; Greiner, István

    2017-12-01

    Recent advances in the field of continuous flow chemistry allow the multistep preparation of complex molecules such as APIs (Active Pharmaceutical Ingredients) in a telescoped manner. Numerous examples of laboratory-scale applications are described, which are pointing towards novel manufacturing processes of pharmaceutical compounds, in accordance with recent regulatory, economical and quality guidances. The chemical and technical knowledge gained during these studies is considerable; nevertheless, connecting several individual chemical transformations and the attached analytics and purification holds hidden traps. In this review, we summarize innovative solutions for these challenges, in order to benefit chemists aiming to exploit flow chemistry systems for the synthesis of biologically active molecules. Copyright © 2016 Elsevier Ltd. All rights reserved.

  11. Direct synthesis of polyglycolide and its related compounds. Polyglycolide oyobi kanren kagobutsu no chokusetsu gosei

    Energy Technology Data Exchange (ETDEWEB)

    Masuda, T. (National Chemical Laboratory for Industry, Tsukuba (Japan))

    1991-07-01

    This paper describes a direct synthesis utilizing polyglycolide and its related compound, carbon monoxide, and the summary of the latest research. Polyglycolide is a kind of polyester, and synthesized from glycolic acid as the starting material. Because this polymer is decomposed and absorbed in an organism, it is developed as surgical suture in the U.S.A. Polyglycolide has been hitherto synthesized by multi-step method processing from glycolic acid to glycolic acid low grade gaade polymer to glycolide, but in the latest research, polyglycolide was synthesized directly from carbon monoxide and formaldehyde. The polyglycolide thus obtained was observed to have micro-organism decomposability under the decomposition test in active sludge using the modified MITI process. The application field of polyglycolide includes release controlling capsules for agricultural chemicals, herbicides, insecticides, plasticizers, polymer blending constituents, film, thread, packaging material, as well as synthesizing material for glycolic acid. 11 refs., 3 figs.

  12. Multigram Synthesis and in Vivo Efficacy Studies of a Novel Multitarget Anti-Alzheimer’s Compound

    Directory of Open Access Journals (Sweden)

    Irene Sola

    2015-03-01

    Full Text Available We describe the multigram synthesis and in vivo efficacy studies of a donepezil‒huprine hybrid that has been found to display a promising in vitro multitarget profile of interest for the treatment of Alzheimer’s disease (AD. Its synthesis features as the key step a novel multigram preparative chromatographic resolution of intermediate racemic huprine Y by chiral HPLC. Administration of this compound to transgenic CL4176 and CL2006 Caenorhabditis elegans strains expressing human Aβ42, here used as simplified animal models of AD, led to a significant protection from the toxicity induced by Aβ42. However, this protective effect was not accompanied, in CL2006 worms, by a reduction of amyloid deposits. Oral administration for 3 months to transgenic APPSL mice, a well-established animal model of AD, improved short-term memory, but did not alter brain levels of Aβ peptides nor cortical and hippocampal amyloid plaque load. Despite the clear protective and cognitive effects of AVCRI104P4, the lack of Aβ lowering effect in vivo might be related to its lower in vitro potency toward Aβ aggregation and formation as compared with its higher anticholinesterase activities. Further lead optimization in this series should thus focus on improving the anti-amyloid/anticholinesterase activity ratio.

  13. Synthesis of Graphene Oxide by Oxidation of Graphite with Ferrate(VI) Compounds: Myth or Reality?

    Science.gov (United States)

    Sofer, Zdeněk; Luxa, Jan; Jankovský, Ondřej; Sedmidubský, David; Bystroň, Tomáš; Pumera, Martin

    2016-09-19

    It is well established that graphene oxide can be prepared by the oxidation of graphite using permanganate or chlorate in an acidic environment. Recently, however, the synthesis of graphene oxide using potassium ferrate(VI) ions has been reported. Herein, we critically replicate and evaluate this new ferrate(VI) oxidation method. In addition, we test the use of potassium ferrate(VI) for the synthesis of graphene oxide under various experimental routes. The synthesized materials are analyzed by a number of analytical methods in order to confirm or disprove the possibility of synthesizing graphene oxide by the ferrate(VI) oxidation route. Our results confirm the unsuitability of using ferrate(VI) for the oxidation of graphite on graphene oxide because of its high instability in an acidic environment and low oxidation power in neutral and alkaline environments. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Synthesis and Antiplasmodial Activity of 2-(4-Methoxyphenyl-4-Phenyl-1,10-Phenanthroline Derivative Compounds

    Directory of Open Access Journals (Sweden)

    Nazudin

    2012-08-01

    Full Text Available A unique of synthetic methods was employed to prepare 2-(4-methoxyphenyl-4-phenyl-1,10-phenanthroline (5 derivatives from 4-methoxy-benzaldehyde (1, acetophenone (2, and 8-aminoquinoline (4 with aldol condensation and cyclization reactions. The derivatives were tested through antiplasmodial test. The synthesis of derivatives compound 5 was conducted in three steps. The 3-(4-methoxyphenyl-1-phenylpropenone 3 was synthesized through aldol condensation of 1 and 2 which has a yield of 96.42%. The compound 5 was synthesized through cyclization of compound 4 and 3 with 84.55% yield. The derivative of compound 5 was synthesized from compound 5 using DMS and DES reagents which refluxed for 21 and 22 h, to produce (1-N-methyl-9-(4-methoxyphenyl-7-phenyl-1,10-phenanthrolinium sulfate (6 and (1-N-ethyl-9-(4-methoxyphenyl-7-phenyl-1,10-phenanthrolinium sulfate (7 with 91.42 and 86.36% yields, respectively. Results of in vitro testing of antiplasmodial activity of compound 5 derivatives (i.e., compound 6 and 7 against chloroquine-resistant P. falciparum FCR3 strain showed that compound 7 had higher antimalarial activity than compounds 5 and 6. Whereas, results of in vitro testing against chloroquine-sensitive P. falciparum D10 strain showed that compound 6 has higher antimalarial activity than compounds 5 and 7.

  15. Synthesis and characterization of porous metal oxides and desulfurization studies of sulfur containing compounds

    Science.gov (United States)

    Garces Trujillo, Hector Fabian

    This thesis contains two parts: 1) synthesis and characterization of porous metal oxides that include zinc oxide and a porous mixed-valent manganese oxide with an amorphous structure (AMO) 2) the desulfurization studies for the removal of sulfur compounds. Zinc oxide with different nano-scale morphologies may result in various porosities with different adsorption capabilities. A tunable shape microwave synthesis of ZnO nano-spheres in a co-solvent mixture is presented. The ZnO nano-sphere material is investigated as a desulfurizing sorbent in a fixed bed reactor in the temperature range 200 to 400 °C and compared with ZnO nanorods and platelet-like morphologies. Fresh and sulfided materials were characterized by X-ray diffraction (XRD), BET specific surface area, pore volume, scanning electron microscopy (SEM), X-ray energy dispersive spectroscopy (SEM/EDX), Raman spectroscopy, and thermogravimetric analysis (TGA). The tunable shape microwave synthesis of ZnO presents a high sulfur sorption capacity at temperatures as low as 200 °C which accounts for a three and four fold enhancement over the other preparations presented in this work, and reached 76 % of the theoretical sulfur capacity (TSC) at 300 °C. Another ZnO material with a bimodal micro- and mesopore size distribution investigated as a desulfurizing sorbent presents a sorption capacity that reaches 87% of the theoretical value for desulfurization at 400 °C at breakthrough time. A deactivation model that considers the activity of the solid reactant was used to fit the experimental data. Good agreement between the experimental breakthrough curves and the model predictions are obtained. Manganese oxides are a type of metal oxide materials commonly used in catalytic applications. Little is known about the adsorption capabilities for the removal of sulfur compounds. One of these manganese oxides; amorphous manganese oxide (AMO) is highly promising material for low temperature sorption processes. Amorphous

  16. Topotactic synthesis of the overlooked multilayer silicene intercalation compound SrSi2.

    Science.gov (United States)

    Tokmachev, A M; Averyanov, D V; Karateev, I A; Parfenov, O E; Vasiliev, A L; Yakunin, S N; Storchak, V G

    2016-09-28

    Silicene, a 2D honeycomb lattice of Si atoms similar to graphene, is expected to be a platform for nanoelectronics and home to novel quantum phenomena. Unlike graphene, free-standing silicene is notoriously difficult to stabilize, while strong hybridization of silicene with substrates destroys its desirable properties. On the other hand, Dirac cones of silicene are effectively realized in a bulk - stoichiometric ionic multilayer silicene intercalation compound CaSi2. Besides, a number of new 2D silicene-based materials are synthesized employing CaSi2 as a precursor. However, the rather complex atomic structure of CaSi2 and fresh opportunities of physical and chemical breakthroughs drive the search for alternative compounds with silicene networks. Here, a new polymorph of SrSi2 is synthesized, enjoying both the structure of intercalated multilayer silicene and the simplest possible stacking of silicene sheets. The MBE-quality synthesis accomplished on Si(001) and Si(111) surfaces leads to epitaxial films of SrSi2 with orientation controlled by the substrate, as revealed by XRD, RHEED and electron microscopy studies. The structural SrSi2/Si relation is mirrored in the transport properties of the films.

  17. Synthesis and magnetic structure of the YbMn{sub 2}Sb{sub 2} compound

    Energy Technology Data Exchange (ETDEWEB)

    Morozkin, A.V. [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation)]. E-mail: morozkin@general.chem.msu.ru; Isnard, O. [Institute Laue-Langevin, 6 Rue J. Horowitz, 38042 Grenoble (France); Henry, P. [Institute Laue-Langevin, 6 Rue J. Horowitz, 38042 Grenoble (France); Granovsky, S. [Physics Department, Moscow State University, GSP-2, 119899 Moscow (Russian Federation); Nirmala, R. [Indian Institute of Science, Bangalore (India); Manfrinetti, P. [Dipartimento di Chimica, Universita di Genova, Via Dodecaneso 31, 16146 Genova (Italy)

    2006-08-31

    A neutron diffraction investigation has been carried out on the trigonal La{sub 2}O{sub 3}-type (hP5, space group P3-bar ml, No. 164; also CaAl{sub 2}Si{sub 2}-type) YbMn{sub 2}Sb{sub 2} intermetallic. A two-step synthesis route has been tried in this work, and successfully utilised to prepare single phase samples of this compound. This study shows that YbMn{sub 2}Sb{sub 2} presents antiferromagnetic ordering below 120K. The magnetic structure of this intermetallic consists of antiferromagnetically coupled magnetic moments of the manganese atoms, in the Mn1 (1/3, 2/3, Z{sub Mn}) and Mn2 (2/3, 1/3, 1-Z{sub Mn}) sites; the direction of magnetic moments of manganese atoms forming a {phi} and a {theta} angle, respectively with the X- and the Z-axis. At 4K the magnetic moment of the Mn1 atom is {mu}{sub Mn}=3.6(1) {mu}{sub B}, with {phi}=0{sup o} and {theta}=62(4){sup o}, whilst the Mn2 atom has a magnetic moment {mu}{sub Mn}=3.6(1) {mu}{sub B}, with {phi}=0{sup o} and {theta}=242(4){sup o}. On the other hand, in this compound no local moment was detected on the Yb site.

  18. Synthesis, evaluation and application of radioiodine labeled compounds in nuclear medicine

    International Nuclear Information System (INIS)

    Ahmed, M. O. M.

    2006-01-01

    This study reviews synthesis, evaluation,diagnostic and therapeutic applications of iodine radiopharmaceutical especially with 13I I and 123 I in contemporary nuclear medicine. It is well Known that iodine is used in thyroid diagnostic and therapy with sodium iodide and played an important role in diagnostic procedures using single photon emission tomography (SPECT). The study covers the general chemistry of iodine, physical properties, biological role of iodine, general uses of iodine compounds , production and decay schemes of 131 I, 125 I and 123 I in the first chapter. Preparation of radioiodine labeled compounds, quality control of radiopharmaceuticals and safety of radioiodination are dealt with in detail in two chapters. These were followed by chapters dealing in length with the chemistry, preparation, quality control, pharmacokinetics and radiation dosimetry of some iodine radiopharmaceuticals, and then current trends in diagnostic and therapeutic applications of iodine radiopharmaceuticals particularly 131 / 123 I-MIBG and 123 I-IMP. We found that the iodine radiopharmaceuticals are considered amongst principal indicators in single photon emission tomography (SPECT), and 131 / 123 I-MIBG and 123 I-IMP appear to be appropriate diagnostic and therapeutic agents for variety of diseases.(Author)

  19. Synthesis and characterization of organosilicon compounds as novel precursors for CVD processes

    Energy Technology Data Exchange (ETDEWEB)

    Ermakova, E.N.; Sysoev, S.V.; Nikulina, L.D. [Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, Acad. Lavrentiev Ave. 3, Novosibirsk 630090 (Russian Federation); Tsyrendorzhieva, I.P.; Rakhlin, V.I. [Favorskii Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorskii Str. 1, Irkutsk 664033 (Russian Federation); Kosinova, M.L., E-mail: marina@niic.nsc.ru [Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, Acad. Lavrentiev Ave. 3, Novosibirsk 630090 (Russian Federation)

    2015-12-20

    Highlights: • The temperature dependences of vapor pressure of four precursors have been measured. • The experimental data were used to calculate standard thermodynamic functions. • The thermodynamic modelling of SiC{sub x}N{sub y} films formation has been performed. - Abstract: Chemical vapor deposition using single-source organosilicon precursors is one of the most effective ways to produce multifunctional SiC{sub x}N{sub y} films. It is worth mentioning that the precursor molecule design affects both the composition and properties of films. Four organosilicon compounds containing a phenyl substituent (namely, trimethylphenylsilane, trimethyl(phenylamino) silane, trimethyl(benzylamino)silane and bis(trimethylsilyl)phenylamine) have been synthesized and characterized as potential CVD precursors for SiC{sub x}N{sub y} films synthesis. The compounds have been shown to be volatile and stable enough to be used in chemical vapor deposition of SiC{sub x}N{sub y} films. Thermodynamic modeling of the film deposition from the gaseous mixture of trimethylphenylsilane and ammonia in Si–C–N–H system has demonstrated that SiC{sub x}N{sub y} films can be deposited, and there is an opportunity to determine the area of appropriate deposition conditions.

  20. Synthesis of reference compounds related to Chemical Weapons Convention for verification and drug development purposes – a Brazilian endeavour

    Science.gov (United States)

    Cavalcante, S. F. A.; de Paula, R. L.; Kitagawa, D. A. S.; Barcellos, M. C.; Simas, A. B. C.; Granjeiro, J. M.

    2018-03-01

    This paper deals with challenges that Brazilian Army Organic Synthesis Laboratory has been going through to access reference compounds related to the Chemical Weapons Convention in order to support verification analysis and for research of novel antidotes. Some synthetic procedures to produce the chemicals, as well as Quality Assurance issues and a brief introduction of international agreements banning chemical weapons are also presented.

  1. Reactions of homolytic addition of polyhalogenoalkanes to unsafurated tin-organic compounds and their application in organic synthesis

    International Nuclear Information System (INIS)

    Rakhlin, V.I.; Mirskov, R.G.; Voronkov, M.G.

    1996-01-01

    Reactions of homolytic addition of polyhalogenoalkanes; including iodine compounds, to tin trialkylalkenyl derivatives are considered. They may be used as convenient method for synthesis of various polyhalogenoalkylsubstituted alicycles and heterocycles: cyclopropane, 1.3-dioxocycloalkanes, thiacycloalkanes, various nitrogen-containing heterocycles. 27 refs

  2. Chemoenzymatic synthesis of statine side chain building blocks and application in the total synthesis of the cholesterol-lowering compound solistatin.

    Science.gov (United States)

    Rieder, Oliver; Wolberg, Michael; Foegen, Silke E; Müller, Michael

    2017-09-20

    The synthesis and enzymatic reduction of several 6-substituted dioxohexanoates are presented. Two-step syntheses of tert-butyl 6-bromo-3,5-dioxohexanoate and the corresponding 6-hydroxy compound have been achieved in 89% and 59% yield, respectively. Regio- and enantioselective reduction of these diketones and of the 6-chloro derivative with alcohol dehydrogenase from Lactobacillus brevis (LBADH) gave the (5S)-5-hydroxy-3-oxo products with enantiomeric excesses of 91%, 98.4%, and >99.5%, respectively. Chain elongation of the reduction products by one carbon via cyanide addition, and by more than one carbon by Julia-Kocienski olefination, gave access to well-established statine side-chain building blocks. Application in the synthesis of the cholesterol-lowering natural compound solistatin is given. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. Synthesis, Processing, and Thermoelectric Properties of Germanium-Antimony-Tellurium Based Compounds and Alloys

    Science.gov (United States)

    Williams, Jared Brett

    Society has become increasingly more aware of the negative impacts which nonrenewable energy sources have on the environment, and therefore the search for new and more efficient means of energy production has become an important research endeavor. Thermoelectric modules possess the unique ability to convert wasted heat into useful electrical energy via solid state processes, which could vastly improve the efficiency of a number of applications. The materials which accomplish this are typically comprised of semiconductors which exhibit high electrical conductivity, Seebeck coefficient, and thermal resistivity. Together these properties give us a gauge for the overall efficiency of the thermal to electrical energy conversion. Phase change materials are a class of materials primarily used for optical data storage in CDs, DVDs, and Blu-Ray discs. Today's state of the art phase change materials are based on alloys of GeTe and Sb2Te3. These materials have also been found to exhibit high thermoelectric efficiencies. These high efficiencies stem from their complex crystal structure and degenerate semiconducting nature. The purpose of this work was to study and engineer the thermoelectric properties of various alloys and compounds which belong to this family of materials. Specifically studied were the compounds Ge4SbTe5 and Ge17Sb2Te20. In each case various synthesis and processing strategies were implemented to increase the thermoelectric performance and better understand the fundamental electrical and thermal properties. Finally various proposals for future work on these materials are presented, all of which are based on the findings described herein.

  4. Aziridines in the synthesis of {sup 11}C- and {sup 18}F-labelled compounds

    Energy Technology Data Exchange (ETDEWEB)

    Gillings, N.M

    1998-07-01

    Racemic [4-{sup 11}C]aspartic acid, [4-{sup 11}C]asparagine and 2,4-diamino[4-{sup 11}C]butyric acid were synthesised by the ring-opening of an N-activated aziridine-2-carboxylate with [{sup 11}C]cyanide, followed by preparative HPLC and hydrolysis/reduction. These labelled amino acids arise from nucleophilic attack at the {beta}-carbon of the aziridine ring. A radioactive by-product of ca. 25% was attributed to the product of {alpha}-attack. Several N-activated 2-aryl aziridines were synthesised for the attempted synthesis of {beta}-[{sup 18}F] fluorophenylalanine and {beta}-[{sup 18}F]fluorodopa. Ring-opening with [{sup 18}F]fluoride showed no evidence of {beta}-fluorinated products and it is proposed that attack occurs exclusively at the {alpha}-carbon, giving the corresponding {alpha}-[{sup 18}F]fluoro-{beta}-amino acids. Further evidence for this was the reaction of the {beta}-unsubstituted N-activated aziridine-2-carboxylate with [{sup 18}F]fluoride. This reaction was totally regiospecific and afforded exclusively the {alpha}-substituted product, {alpha}-[{sup 18}F]fluoro-{beta}-alanine. Aziridine precursors were resolved by chiral HPLC. On labelling the chiral aziridines, however, racemic {sup 11}C- and {sup 18}F-labelled amino acids were obtained. This was attributed to racemisation of the initially formed ring-opened products. The use of [{sup 11}C]methyl lithium as a nucleophile for aziridine ring-opening was investigated. Reaction was expected to occur at low temperature, thus potentially avoiding racemisation. No products corresponding to aziridine ring-opening with [{sup 11}C]methyl lithium were, however, observed. A difluorinated analogue of amphetamine was synthesised by fluorination of an azirine (via an aziridine). This racemic compound was resolved as its chiral tartarate salts and subsequently labelled by methylation with [{sup 11}C]methyl iodide, giving the novel compound {beta}, {beta}-difluoro[N-methyl-{sup 11}C]methamphetamine in high

  5. Aziridines in the synthesis of 11C- and 18F-labelled compounds

    International Nuclear Information System (INIS)

    Gillings, N.M.

    1998-01-01

    Racemic [4- 11 C]aspartic acid, [4- 11 C]asparagine and 2,4-diamino[4- 11 C]butyric acid were synthesised by the ring-opening of an N-activated aziridine-2-carboxylate with 11 C]cyanide, followed by preparative HPLC and hydrolysis/reduction. These labelled amino acids arise from nucleophilic attack at the β-carbon of the aziridine ring. A radioactive by-product of ca. 25% was attributed to the product of α-attack. Several N-activated 2-aryl aziridines were synthesised for the attempted synthesis of β-[ 18 F] fluorophenylalanine and β-[ 18 F]fluorodopa. Ring-opening with [ 18 F]fluoride showed no evidence of β-fluorinated products and it is proposed that attack occurs exclusively at the α-carbon, giving the corresponding α-[ 18 F]fluoro-β-amino acids. Further evidence for this was the reaction of the β-unsubstituted N-activated aziridine-2-carboxylate with [ 18 F]fluoride. This reaction was totally regiospecific and afforded exclusively the α-substituted product, α-[ 18 F]fluoro-β-alanine. Aziridine precursors were resolved by chiral HPLC. On labelling the chiral aziridines, however, racemic 11 C- and 18 F-labelled amino acids were obtained. This was attributed to racemisation of the initially formed ring-opened products. The use of [ 11 C]methyl lithium as a nucleophile for aziridine ring-opening was investigated. Reaction was expected to occur at low temperature, thus potentially avoiding racemisation. No products corresponding to aziridine ring-opening with [ 11 C]methyl lithium were, however, observed. A difluorinated analogue of amphetamine was synthesised by fluorination of an azirine (via an aziridine). This racemic compound was resolved as its chiral tartarate salts and subsequently labelled by methylation with [ 11 C]methyl iodide, giving the novel compound β, β-difluoro[N-methyl- 11 C]methamphetamine in high specific activity for in vivo binding studies using positron emission tomography. The non-radioactive reference compound was also

  6. First Total Synthesis of 4,5-Secoeudesmane-type and Iphionane-type Compounds- Synthesis of 4,5-Dioxo-seco-γ-eudesmol and 5β ,11-Dihydroxyiphionan-4-one

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    @@ 4, 5-Secoeudesmane-type and iphionane-type compounds are sesquiterpenes with new carbon skeletons found in natrual sources in recent years.1-6 The co-occurence of 4, 5-secoeudesmanes, iphionanes and eudesmanes as natrual products suggests that 4, 5-secoeudesmanes, iphionanes most likely are generated biogenetically from eudesmanes, and iphionanes are formed biogenetically by aldol reaction of 4, 5-dioxosecoeudesmanes1,4,6,7. The study on the synthesis of this two kind of new sesquiterpenes has not been reported in the literature.

  7. Synthesis of silylated pyrimidines nucleosides. Catalytic condensations with organo-zinc, organo-zirconium, and organo-borane compounds

    International Nuclear Information System (INIS)

    Vincent, Patrice

    1982-01-01

    This research thesis addressed the synthesis of new desoxy-2' uridines substituted in C-5. The starting compound was the iodo-5 0-3',5' bis(trimethylsilyl) dUrd. It has been coupled with acetylenic organo-zinc in presence of organo-palladium and nickel compounds to obtain alkynyl-5 dUrd, with ethylenic organo-zirconium compounds in presence of organo-palladium complexes to obtain (E)-alkenyl-5 dUrd, with ethylenic organo-boranes in presence of organo-palladium complexes to obtain (E) and (Z) alkenyl-5 uRd, and with cyclic or heterocyclic organo-zinc compounds in presence of organo-palladium complexes. Thirty new pyrimidine nucleosides have thus been obtained, and some of them have been used for biological tests [fr

  8. Synthesis, microwave spectrum, and dipole moment of allenylisocyanide (H2C═C═CHNC), a compound of potential astrochemical interest.

    Science.gov (United States)

    Møllendal, Harald; Samdal, Svein; Matrane, Abdellatif; Guillemin, Jean-Claude

    2011-07-14

    An improved synthesis of a compound of potential astrochemical interest, allenylisocyanide (H(2)C═C═CHNC), is reported together with its microwave spectrum, which has been investigated in the 8-120 GHz spectral range to facilitate a potential identification in interstellar space. The spectra of the ground vibrational state and of five vibrationally excited states belonging to three different vibrational modes have been assigned for the parent species. A total of 658 transitions with a maximum value of J = 71 were assigned for the ground state and accurate values obtained for the rotational and quartic centrifugal distortion constants. The spectra of five heavy-atom ((13)C and (15)N) isotopologues were also assigned. The dipole moment was determined to be μ(a) = 11.93(16) × 10(-30) C m, μ(b) = 4.393(44) × 10(-30) C m, and μ(tot) = 12.71(16) × 10(-30) C m. The spectroscopic work has been augmented by theoretical calculations at the CCSD/cc-pVTZ and B3LYP/cc-pVTZ levels of theory. The theoretical calculations are generally in good agreement with the experimental results.

  9. Synthesis of 6-Methyl-9-propyldibenzothiophene-4-ol amended to 9-isopropyl-6-methyldibenzothiophene-4-ol. Final technical report, July 25, 1991--January 25, 1993

    Energy Technology Data Exchange (ETDEWEB)

    Eisenbraun, E.J.

    1992-02-17

    This is a draft final technical report on Task 1 of a contract to synthesize 6-Methyl-9-propyldibenzothiophene-4-ol, as amended to 9- isopropyl-6-methyldibenzothiophene-4-ol. This report is a compilation of data presented in earlier reports. The first annual report dealt with an attempted synthesis of 4-methoxy-6-methyl-9- propyldibenzothiophene (the original target compound), the successful synthesis and delivery of 200 grams of the sulfide 1,4-diethyl-2- [(2{prime}-methoxyphenyl)-thio]benzene, and initial work on a new synthesis route for the preparation of the new target compound 9- isopropyl-6-methyldibenzothiophene-4-ol. The change to the new target compound and the new synthesis route became necessary when it was learned that the sulfide mixture could not be cyclized to the substituted dibenzothiophene mixture. The second annual report described the successful preparation of 45 g of the new target compound using the new synthesis route. Subsequently funds were provided to synthesize an additional 45 g of the new target using the same reaction scheme. This task was recently completed.

  10. Synthesis of Substituted 1,4-Dioxenes through O-H Insertion and Cyclization Using Keto-Diazo Compounds.

    Science.gov (United States)

    Davis, Owen A; Croft, Rosemary A; Bull, James A

    2016-11-18

    1,4-Dioxenes present interesting potential as synthetic intermediates and as unusual motifs for incorporation into biologically active compounds. Here, an efficient synthesis of functionalized 1,4-dioxenes is achieved in two steps. Using keto-diazo compounds, a ruthenium catalyzed O-H insertion with β-halohydrins followed by treatment with base results in cyclization with excellent selectivity, through O-alkylation of the keto-enolate. A variety of halohydrins and anion-stabilizing groups in the diazo-component are tolerated, affording novel functionalized dioxenes. Enantioenriched β-bromohydrins provide enantioenriched 1,4-dioxenes.

  11. Synthesis of Pyrroloquinones via a CAN Mediated Oxidative Free Radical Reaction of 1,3-Dicarbonyl Compounds with Aminoquinones

    Directory of Open Access Journals (Sweden)

    Thao Nguyen

    2013-01-01

    Full Text Available Pyrroloquinone ring systems are important structural units present in many biologically active molecules including a number of marine alkaloids. For example, they are found in a series of marine metabolites, such as tsitsikammamines, zyzzyanones, wakayin, and terreusinone. Several of these alkaloids have exhibited antimicrobial, antimalarial, antifungal, antitumor, and photoprotecting activities. Synthesis of pyrroloquinone unit is the key step in the synthesis of many of these important organic molecules. Here, we present a ceric (IV ammonium nitrate (CAN mediated oxidative free radical cyclization reaction of 1,3-dicarbonyl compounds with aminoquinones as a facile methodology for making various substituted pyrroloquinones. 1,3-dicarbonyl compounds used in this study are ethyl acetoacetate, acetylacetone, benzoyl acetone, and N,N-dimethyl acetoacetamide. The aminoquinones used in this study are 2-(benzylaminonaphthalene-1,4-dione and 6-(benzylamino-1-tosyl-1H-indole-4,7-dione. The yields of the synthesized pyrroloquinones ranged from 23–91%.

  12. Synthesis of national reports for Rio+20

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-01-15

    In the lead up to the United Nations Conference on Sustainable Development (Rio+20), which took place in Brazil in June 2012, there were numerous efforts in countries around the world to help governments, civil society organizations and individuals prepare for the event. One of the more significant efforts led by UNDP in collaboration with the United Nations Department of Economic and Social Affairs (UN DESA) was a support programme to 72 countries across all regions to build a consensus on national views around the themes and objectives of the Rio+20 Conference. This report highlights significant advances in sustainable development from almost 60 country reports and underscores the challenges and bottlenecks to moving beyond the economic-led growth strategies of the past 20 years.

  13. Synthesis report on thermally driven coupled processes

    International Nuclear Information System (INIS)

    Hardin, E.L.

    1997-01-01

    The main purpose of this report is to document observations and data on thermally coupled processes for conditions that are expected to occur within and around a repository at Yucca Mountain. Some attempt is made to summarize values of properties (e.g., thermal properties, hydrologic properties) that can be measured in the laboratory on intact samples of the rock matrix. Variation of these properties with temperature, or with conditions likely to be encountered at elevated temperature in the host rock, is of particular interest. However, the main emphasis of this report is on direct observation of thermally coupled processes at various scales. Direct phenomenological observations are vitally important in developing and testing conceptual models. If the mathematical implementation of a conceptual model predicts a consequence that is not observed, either (1) the parameters or the boundary conditions used in the calculation are incorrect or (2) the conceptual basis of the model does not fit the experiment; in either case, the model must be revised. For example, the effective continuum model that has been used in thermohydrology studies combines matrix and fracture flow in a way that is equivalent to an assumption that water is imbibed instantaneously from fractures into adjacent, partially saturated matrix. Based on this approximation, the continuum-flow response that is analogous to fracture flow will not occur until the effective continuum is almost completely saturated. This approximation is not entirely consistent with some of the experimental data presented in this report. This report documents laboratory work and field studies undertaken in FY96 and FY97 to investigate thermally coupled processes such as heat pipes and fracture-matrix coupling. In addition, relevant activities from past years, and work undertaken outside the Yucca Mountain project are summarized and discussed. Natural and artificial analogs are also discussed to provide a convenient source of

  14. Tools for Chemical Biology: New Macrocyclic Compounds from Diversity-Oriented Synthesis and Toward Materials from Silver(I) Acetylides

    DEFF Research Database (Denmark)

    Madsen, Charlotte Marie

    Part I The formation of a library of diverse macrocyclic compounds with different functionalities and ring sizes in a few steps from two easily accessible α,ω-diol building blocks is presented. The building blocks are combined by esteriffcations in four different ways leading to the formation of ...... of uoro-iodoadamantanes. However, overall the results provide a good starting point for the synthesis of new triptycene and adamantane-containing molecules that can interact with carbon nanotubes....

  15. Amberlyst-15: An Efficient and reusable heterogeneous catalyst for the synthesis of β-amino carbonyl compounds

    Directory of Open Access Journals (Sweden)

    Pathakota Venkata Ramana

    2015-12-01

    Full Text Available A simple and efficient method has been developed for the synthesis of β-amino carbonyl compounds from aromatic ketones, aldehydes and amines by Mannich reaction in the presence of amberlyst-15 as a reusable heterogeneous catalyst at room temperature under solvent-free conditions. The noteworthy advantages of the present method are short reaction times, good product yields, simple procedures and use of non-toxic catalyst.

  16. Palladium- and copper-mediated N-aryl bond formation reactions for the synthesis of biological active compounds

    Directory of Open Access Journals (Sweden)

    Burkhard Koenig

    2011-01-01

    Full Text Available N-Arylated aliphatic and aromatic amines are important substituents in many biologically active compounds. In the last few years, transition-metal-mediated N-aryl bond formation has become a standard procedure for the introduction of amines into aromatic systems. While N-arylation of simple aromatic halides by simple amines works with many of the described methods in high yield, the reactions may require detailed optimization if applied to the synthesis of complex molecules with additional functional groups, such as natural products or drugs. We discuss and compare in this review the three main N-arylation methods in their application to the synthesis of biologically active compounds: Palladium-catalysed Buchwald–Hartwig-type reactions, copper-mediated Ullmann-type and Chan–Lam-type N-arylation reactions. The discussed examples show that palladium-catalysed reactions are favoured for large-scale applications and tolerate sterically demanding substituents on the coupling partners better than Chan–Lam reactions. Chan–Lam N-arylations are particularly mild and do not require additional ligands, which facilitates the work-up. However, reaction times can be very long. Ullmann- and Buchwald–Hartwig-type methods have been used in intramolecular reactions, giving access to complex ring structures. All three N-arylation methods have specific advantages and disadvantages that should be considered when selecting the reaction conditions for a desired C–N bond formation in the course of a total synthesis or drug synthesis.

  17. Civil liability and nuclear coverage: synthesis report

    International Nuclear Information System (INIS)

    1995-01-01

    The report has been written considering the advanced work which has been done by the Expert Committee, sponsored by the International Atomic Energy Agency (IAEA), Vienna, having the purpose to examine the modifications issued in course of Vienna Convention as well as the Paris convention and the complementary Brussels Convention, in view to adapt the legislation to the actual context and to answer the populations expectations. The work has been organized in three majors chapters: the first one in concerned to the damage definition, proposition to the to reach the environment, the prevention and charges. the research and military installations are also considered. The second chapter has been dedicated to the civil responsibility, its limits, financing modes, the national and international legal competence besides the litigation charges due to the nuclear accidents born on the occasion. In the third chapter the insurance considering the damage nature, the capacity to assure liability coverage and the damage management are harmonized

  18. Synthesis of microbial nitrogen compounds in the rumen and their digestion in the small intestine

    International Nuclear Information System (INIS)

    Smith, R.H.; Salter, D.N.; McAllan, A.B.; Williams, A.P.

    1976-01-01

    Pathways and efficiency of NPN utilization were studied after introducing isonitrogenous feeds containing urea labelled with 15 N with or without groundnut protein into the rumen of the young steer. The 15 N abundance in rumen ammonia decreased from 1 h after the dose whereas that in suspended bacteria (only a small part of the total population but regarded, with reservation, as representative) increased to a peak value at 3-5 h. Patterns of incorporation into different nitrogen constituents of the bacteria indicated that part of the 15 N first moved rapidly into a labile pool, which included amide nitrogen, and then moved from this pool into other amino acids. Different amino acids were labelled to different extents (lowest for proline and arginine, highest for aspartic acid and alanine), presumably as different amounts of pre-formed amino acids were used in protein synthesis. Differences largely disappeared when the diet with urea as the only nitrogen source was given. Estimates of microbial 15 N recovery at the duodenum confirmed earlier findings that overall incorporation was least when the latter diet was given, and no improvement was seen when the urea was given in three doses over 4 h instead of in a single dose. Lactosyl, like glucosyl, ureide was degraded fairly slowly in the rumen and is being studied as a possible NPN source likely to yield simultaneous ammonia and energy for microbial growth. Studies on the origin and composition of nitrogen compounds entering the duodenum showed that the RNA of rumen bacteria (labelled with 32 P) contributed 82-109% of the RNA entering the duodenum of the steer. It was also shown that protecting dietary casein with formaldehyde reduced its degradability in the rumen to such an extent that a deficiency of fermentable nitrogen in that organ ensued. In other experiments with two calves receiving flaked maize and hay, net digestibility of nitrogen compounds between duodenum and ileum was about 60%. True digestibility

  19. Nd(III) and Dy(III) coordination compounds based on 1H-tetrazolate-5-acetic acid ligands: Synthesis, crystal structures and catalytic properties

    Energy Technology Data Exchange (ETDEWEB)

    Li Qiaoyun; Chen Dianyu; He Minghua [Jiangsu Laboratory of Advanced Functional Materials, Department of Chemistry and Materials Engineering, Changshu Institute of Technology, Changshu 215500, Jiangsu (China); Yang Gaowen, E-mail: ygwsx@126.com [Jiangsu Laboratory of Advanced Functional Materials, Department of Chemistry and Materials Engineering, Changshu Institute of Technology, Changshu 215500, Jiangsu (China); Shen Lei; Zhai Chun; Shen Wei; Gu Kun; Zhao Jingjing [Jiangsu Laboratory of Advanced Functional Materials, Department of Chemistry and Materials Engineering, Changshu Institute of Technology, Changshu 215500, Jiangsu (China)

    2012-06-15

    Reactions of 1H-tetrazolate-5-acetic acid(H{sub 2}tza) with Nd(NO{sub 3}){sub 3}{center_dot}6H{sub 2}O or Dy(NO{sub 3}){sub 3}{center_dot}6H{sub 2}O with the presence of KOH under solvothermal conditions, produced two new coordination compounds, [M{sub 2}(tza){sub 3}(H{sub 2}O){sub 6}]{center_dot}2H{sub 2}O [M=Nd(1), Dy(2)]. Both compounds were structurally characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. Compounds 1 and 2 reveal 1D structures via bridging tza as linker. Furthermore, the compounds 1 and 2 showed a specific and good catalytic behavior for the polymerization of styrene, and the polymerization showed controlled characteristics. - Graphical Abstract: Two new coordination compounds, [M{sub 2}(tza){sub 3}(H{sub 2}O){sub 6}]{center_dot}2H{sub 2}O [M=Nd(1), Dy(2)] have been synthesis. 1 and 2 reveal 1D structures via bridging tza as linker, and showed a specific and good catalytic behavior for the polymerization of styrene. Highlights: Black-Right-Pointing-Pointer we have reported two novel compounds formed by H{sub 2}tza and Nd(III) or Dy(III). Black-Right-Pointing-Pointer Compounds 1 and 2 were found to have catalysis property for the photo-polymerization of styrene. Black-Right-Pointing-Pointer The high molecular weight polymers with narrow molecular weight distributions were obtained.

  20. Synthesis of variable size molecules using poly-homologation of boron compounds

    International Nuclear Information System (INIS)

    Goddard, J.P.

    2002-01-01

    During this work, we developed a method of original synthesis allowing to lead mixtures of molecules of variable size with an aim of discovering new chelating molecules of cesium. This method utilizes a reaction of poly-homologation of borated compounds with the nucleophilic ones comprising a grouping leaving in alpha of the negative charge. We tested various families from nucleophilic like anions of sulfones, sulfonium ylides, anions of hydrazones, tri-methylsilyldiazomethane and arsonium ylides. The first three families did not allow us to carry out reactions of poly-homologation. The tri-methylsilyldiazomethane possesses not either the capacity to carry out reactions successive insertions but this property was exploited to propose a chemical conversion of olefinic hydrocarbon into alkyl-methanol corresponding. The arsonium ylides made it possible to carry out reactions of poly-homologation with boronates and boranes. The alkyl-arsonium ylides were used to form polymers of controlled size having a ramification on each carbon atom of the principal chain. This type of polymer is not accessible by the current methods of polymerization. The allyl-arsonium ylides have a particular reactivity since the allyl boranes formed during the insertion reactions undergo a sigma-tropic [1,3] rearrangement before reacting again with a ylide. It is thus possible to lead with polymers of big size to which the structure is close to that of the natural rubber. By this method it is possible to lead with linear or cyclic polymers. This method is currently under development at the laboratory to form chelating structures of cesium. (author) [fr

  1. Mechanochemical Synthesis of Nanostructured MgXNi1-XO Compound by Mg-NiO Mixture

    Directory of Open Access Journals (Sweden)

    Nader Setoudeh

    2017-06-01

    Full Text Available Synthesis of magnesium nickel oxide phase such as MgxNi1-xO solid solutions has been studied in this research article using mechnochmical reaction between magnesium and nickel oxide. Mixtures of magnesium powder and nickel oxide (Mg+NiO with stoichiometric compositions were milled for different times in a planetary ball mill. Reduction reaction of nickel oxide by magnesium via a mechanically induced self-sustaining reaction (MSR was confirmed in the XRD measurements of the as-milled samples. Formation of nanostructured magnesium nickel oxide phases (such as Mg0.4Ni0.6O or MgNiO2 was observed after isothermal heating of the 30 minutes milled samples at 1000°C where nickel phase seems to disappear in XRD patterns. The traces of phases such as Mg0.4Ni0.6O or MgNiO2 were also observed in the as-milled mixtures. Therefore, the XRD results of the as-milled samples suggested that the formation of magnesium nickel oxide phases could be possible even after prolonged milling. The XRD and SEM results of both as-milled and isothermally heated samples indicated that the crystallite size and particle size of the final products reached to nanoscale after milling. Morphological and compositional evolution of the samples after heat treatment was monitored through SEM imaging and elemental analyses. The results confirmed that the composition of final product is close to Mg0.4Ni0.6O compound.

  2. Survey of electrochemical production of inorganic compounds. Final report

    Energy Technology Data Exchange (ETDEWEB)

    1980-10-01

    The electrochemical generation of inorganic compounds, excluding chlorine/caustic, has been critically reviewed. About 60 x 10/sup 12/ Btu/y fossil fuel equivalent will be used in the year 2000 for the electrosynthesis of inorganic compounds. Significant energy savings in chlorate production can result from the development of suitable electrocatalysts for lowering the cathodic overpotential. Perchlorates, electrolytic hypochlorite, electrolytic manganese dioxide, fluorine and other miscellaneous compounds use relatively small amounts of electrical energy. Implementation of caustic scrubber technology for stack gas cleanup would result in appreciable amounts of sodium sulfate which could be electrolyzed to regenerate caustic. Hydrogen peroxide, now produced by the alkyl anthraquinone process, could be made electrolytically by a new process coupling anodic oxidation of sulfate with cathodic reduction of oxygen in alkaline solution. Ozone is currently manufactured using energy-inefficient silent discharge equipment. A novel energy-efficient approach which uses an oxygen-enhanced anodic reaction is examined.

  3. Optimized Solid Phase-Assisted Synthesis of Dendrons Applicable as Scaffolds for Radiolabeled Bioactive Multivalent Compounds Intended for Molecular Imaging

    Directory of Open Access Journals (Sweden)

    Gabriel Fischer

    2014-05-01

    Full Text Available Dendritic structures, being highly homogeneous and symmetric, represent ideal scaffolds for the multimerization of bioactive molecules and thus enable the synthesis of compounds of high valency which are e.g., applicable in radiolabeled form as multivalent radiotracers for in vivo imaging. As the commonly applied solution phase synthesis of dendritic scaffolds is cumbersome and time-consuming, a synthesis strategy was developed that allows for the efficient assembly of acid amide bond-based highly modular dendrons on solid support via standard Fmoc solid phase peptide synthesis protocols. The obtained dendritic structures comprised up to 16 maleimide functionalities and were derivatized on solid support with the chelating agent DOTA. The functionalized dendrons furthermore could be efficiently reacted with structurally variable model thiol-bearing bioactive molecules via click chemistry and finally radiolabeled with 68Ga. Thus, this solid phase-assisted dendron synthesis approach enables the fast and straightforward assembly of bioactive multivalent constructs for example applicable as radiotracers for in vivo imaging with Positron Emission Tomography (PET.

  4. Plasmachemical synthesis and evaluation of the thermal conductivity of metal-oxide compounds "Molybdenum-uranium dioxide"

    Science.gov (United States)

    Kotelnikova, Alexandra A.; Karengin, Alexander G.; Mendoza, Orlando

    2018-03-01

    The article represents possibility to apply oxidative and reducing plasma for plasma-chemical synthesis of metal-oxide compounds «Mo‒UO2» from water-salt mixtures «molybdic acid‒uranyl nitrate» and «molybdic acid‒ uranyl acetate». The composition of water-salt mixture was calculated and the conditions ensuring plasma-chemical synthesis of «Mo‒UO2» compounds were determined. Calculations were carried out at atmospheric pressure over a wide range of temperatures (300-4000 K), with the use of various plasma coolants (air, hydrogen). The heat conductivity coefficients of metal-oxide compounds «Mo‒UO2» consisting of continuous component (molybdenum matrix) are calculated. Inclusions from ceramics in the form of uranium dioxide were ordered in the matrix. Particular attention is paid to methods for calculating the coefficients of thermal conductivity of these compounds with the use of different models. Calculated results were compared with the experimental data.

  5. Hydrothermal synthesis of nanocubes of sillenite type compounds for photovoltaic applications and solar energy conversion of carbon dioxide to fuels

    Science.gov (United States)

    Subramanian, Vaidyanathan; Murugesan, Sankaran

    2014-04-29

    The present invention relates to formation of nanocubes of sillenite type compounds, such as bismuth titanate, i.e., Bi.sub.12TiO.sub.20, nanocubes, via a hydrothermal synthesis process, with the resulting compound(s) having multifunctional properties such as being useful in solar energy conversion, environmental remediation, and/or energy storage, for example. In one embodiment, a hydrothermal method is disclosed that transforms nanoparticles of TiO.sub.2 to bismuth titanate, i.e., Bi.sub.12TiO.sub.20, nanocubes, optionally loaded with palladium nanoparticles. The method includes reacting titanium dioxide nanotubes with a bismuth salt in an acidic bath at a temperature sufficient and for a time sufficient to form bismuth titanate crystals, which are subsequently annealed to form bismuth titanate nanocubes. After annealing, the bismuth titanate nanocubes may be optionally loaded with nano-sized metal particles, e.g., nanosized palladium particles.

  6. IRIS Toxicological Review of Thallium and Compounds (Final Report)

    Science.gov (United States)

    EPA has finalized the Toxicological Review of Thallium and Compounds: in support of the Integrated Risk Information System (IRIS). Now final, this assessment may be used by EPA’s program and regional offices to inform decisions to protect human health.

  7. Research programme on radioactive wastes - Synthesis report 2009

    International Nuclear Information System (INIS)

    Brander, S.

    2010-02-01

    This short synthesis report for the Swiss Federal Office of Energy (SFOE) issued by the head of the programme on radioactive wastes reports on activities during the year 2009. Background information on the definition of topics to be focussed on is briefly presented. In particular, topics such as communication with the general public, knowledge-saving and marking concepts for radioactive wastes are noted. Work done in these areas as well as on waste management in general are discussed. Conferences held and the transfer of know-how are noted, as is cooperation with foreign organisations active in the area of nuclear research and waste management. Finally, work planned for 2010 is noted

  8. Synthesis of some Heterocyclic Compounds Derived from 2-Chloro-N-p-Tolylacetamide

    Directory of Open Access Journals (Sweden)

    Hanan Gh Shaaban

    2017-02-01

    Full Text Available This research includes preparation of (2-chloro-N-p-tolylacetamide (1 from the reaction of (p-aminotoluene with chloro acetyl chloride. Compound (1 reacted with thiosemi carbazide and gave compound (2, and when compound (1 reacted with semicarbazide gave compound (3. While when compound (1 reacted with thiourea it produced compound (4. Compounds (2-4 when reacted with appropriate aromatic aldehydes or ketones produced Shiff bass (5-16, which in turn reacted with chloro acetyl chloride in the present of tri ethyl amine and dioxin gave β-lactam derivatives (14-22. The structures of these compounds were characterized from their melting points, FT-IR, and NMR.

  9. Ultrasound-accelerated synthesis of biphenyl compounds using novel Pd(0) nanoparticles immobilized on bio-composite.

    Science.gov (United States)

    Baran, Talat

    2018-07-01

    This study describes (i) an eco-friendly approach for design of Pd(0) nanoparticles on a natural composite, which is composed of carboxymethyl cellulose/agar polysaccharides (CMC/AG), without using any toxic reducing agents and (ii) development of ultrasound assisted simple protocol for synthesis of biphenyl compounds. Chemical characterization studies of Pd(0) nanoparticles (Pd NPs@CMC/AG) revealed that size of the particles were in the range of 37-55 nm. Catalytic performance of Pd NPs@CMC/AG was evaluated in synthesis of various biphenyl compounds by using the ultrasound-assisted method that was developed in this study. Pd NPs@CMC/AG exhibited excellent catalytic performance by producing high reaction yields. In addition, Pd NPs@CMC/AG was successfully used up to six reaction cycles without losing its catalytic activity, indicating high reproducibility of Pd NPs@CMC/AG. Additionally, compared to conventional the methods, new ultrasound-assisted synthesis technique that was followed in this study exhibited some advantages such as shorter reaction time, greener reaction conditions, higher yields and easier work-up. Copyright © 2018 Elsevier B.V. All rights reserved.

  10. Synthesis and properties of bis(pentamethylcyclopentadienyl) actinide hydrocarbyls and hydrides. A new class of highly reactive f-element organometallic compounds

    International Nuclear Information System (INIS)

    Fagan, P.J.; Manriquez, J.M.; Maatta, E.A.; Seyam, A.M.; Marks, T.J.

    1981-01-01

    The synthesis and chemical and physcochemical properties of Th and U bis(pentamethylcyclopentadienyl) chlorides, hydrocarbyls, chlorohydrocarbyls, and hydrides are reported. The reaction of the precursor compounds M[eta 5 -(CH 3 ) 5 C 5 ] 2 Cl 2 with 2 equiv of lithium reagent RLi produces M[eta 5 -(CH 3 ) 5 ] 2 R 2 compounds where R = CH 3 , CH 2 Si(CH 3 ) 3 , CH 2 C(CH 3 ) 3 , CH 2 C 6 H 5 , and C 6 H 5 (M = Th) and R = CH 3 , CH 2 Si(CH 3 ) 3 , CH 2 C 6 H 5 , and C 6 H 5 (M = U) in good yield. With 1 equiv of lithium reagent, M[eta 5 -(CH 3 ) 5 C 5 ] 2 (R)Cl compounds where R = CH 2 C(CH 3 ) 3 , CH 2 Si(CH 3 ) 3 , CH 2 C 6 H 5 , and C 6 H 5 (M = Th) and R = CH 2 C(CH 3 ) 3 CH 2 Si(C 3 ) 3 , CH 2 C 6 H 5 , and C 6 H 5 , and C 6 H 5 (M = U) are formed in high yield. The M[eta 5 -(CH 3 ) 5 C 52 (C 3 )Cl compounds can be synthesized by redistribution between the corresponding dimethyl and dichloro complexes. The new organoactinides were thoroughly characterized by elemental analysis, 1 H NMR and vibrational spectroscopy, and in many cases cryoscopic molecular weight measurements. The hydrocarbyls and chlorohydrocarbyls generally exhibit high thermal stability. However, the diphenyl compounds react readily with C 6 D 6 to yield, via a benzyne complex, the corresponding M(C 6 D 5 ) 2 compounds. The Th bis(neopentyl) complex reacts with benzene to produce the corresponding diphenyl complex. Competition experiments at -78 0 C indicate that the Th complexes are more reactive than those of U. The M[eta 5 -(CH 3 ) 5

  11. Induction of the synthesis of bioactive compounds of the marine alga Tetraselmis tetrathele (West Butcher grown under salinity stress

    Directory of Open Access Journals (Sweden)

    Hala Yassin El-Kassas

    2016-12-01

    Full Text Available This work aims at the induction of the synthesis bioactive compounds in microalgae which are used in aquacultures. Experiments were done using Tetraselmis tetrathele in batch culture for 8 days under different salinity levels. The growth of the alga at salinity 20 ppm was increased by fivefold and synthesis of carotenoids by 20-fold in comparison to the controlled. Increasing NaCl concentration resulted in increasing the fatty acid accumulation in T. tetrathele cells. Saturated fatty acids were the main constituent in the fatty acid methyl esters (FAMEs (3.48 mg/g at salinity 25 ppm. The predominated fatty acids were tridecylic, myristic and pentadecanoic which have potential antimicrobial activities. GC–MS analyses of the alga acetone extract grown under different NaCl concentrations were established. The results showed the presence of 18 bioactive compounds: 9-octadecenamide; in addition to the different esters of some fatty acids: hexanedioic, 1,2-cyclohexanedicarboxylic, phthalic, oleanitrile, hexanedioic and 1,2-cyclohexanedicarboxylic (71.5%; 64.9%; 55.4%; 49.6%; 18.7%; 25.2% and 14.5%, respectively. The study suggested that the alga biosynthesized various bioactive compounds under different salinity levels as defense mechanisms. Accordingly, the growth of T. tetrathele under salinity stress before being used in aquacultures is recommended.

  12. Energy and Biocides Storage Compounds: Synthesis and Characterization of Energetic Bridged Bis(triiodoazoles).

    Science.gov (United States)

    He, Chunlin; Zhao, Gang; Hooper, Joseph P; Shreeve, Jean'ne M

    2017-11-06

    Energetic bridged triiodopyrazoles and triiodoimidazoles were designed and synthsized by reacting potassium triiodopyrazolate or triiodoimidazolate with corresponding dichloro compounds. All compounds were fully characterized by 1 H and 13 C NMR spectroscopy, IR spectroscopy, and elemental analyses. The structure of compound 1 was further confirmed by single-crystal X-ray diffraction. All of the compounds exhibit good thermal stability with decomposition temperatures between 199 and 270 °C and high densities ranging from 2.804 to 3.358 g/cm 3 . The detonation performances and the detonation products were calculated by CHEETAH 7. Compound 3 (D v = 4765 m s -1 ; P = 17.9 GPa) and compound 7 (D v = 4841 m s -1 ; P = 18.5 GPa) show comparable detonation pressure to TNT, and high iodine content makes them promising as energy and biocides storage compounds.

  13. Synthesis and Evaluation of a Library of Trifunctional Scaffold-Derived Compounds as Modulators of the Insulin Receptor.

    Science.gov (United States)

    Fabre, Benjamin; Pícha, Jan; Vaněk, Václav; Selicharová, Irena; Chrudinová, Martina; Collinsová, Michaela; Žáková, Lenka; Buděšínský, Miloš; Jiráček, Jiří

    2016-12-12

    We designed a combinatorial library of trifunctional scaffold-derived compounds, which were derivatized with 30 different in-house-made azides. The compounds were proposed to mimic insulin receptor (IR)-binding epitopes in the insulin molecule and bind to and activate this receptor. This work has enabled us to test our synthetic and biological methodology and to prove its robustness and reliability for the solid-phase synthesis and testing of combinatorial libraries of the trifunctional scaffold-derived compounds. Our effort resulted in the discovery of two compounds, which were able to weakly induce the autophosphorylation of IR and weakly bind to this receptor at a 0.1 mM concentration. Despite these modest biological results, which well document the well-known difficulty in modulating protein-protein interactions, this study represents a unique example of targeting the IR with a set of nonpeptide compounds that were specifically designed and synthesized for this purpose. We believe that this work can open new perspectives for the development of next-generation insulin mimetics based on the scaffold structure.

  14. The emissions gap report 2012. A UNEP synthesis report

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-11-15

    One of the fundamental questions in the global climate negotiations is: what level of ''ambition'', in terms of collective emission reductions, is needed to protect global climate? To help answer this question UNEP and the scientific community have published a series of reports on the ''emissions gap1'' since 2010. Of particular interest to the ambition question is the gap in 2020 between emission levels consistent with the 2 deg. C climate target and emissions levels projected if country reduction pledges are fulfilled. If there is a gap, then there is doubt that the ambition of countries is great enough to meet the agreed-upon 2 deg. C climate target. In the 2010 Emissions Gap Report, scientists indicated that there would likely be a substantial emissions gap in 2020, although estimates of this gap ranged widely, depending on assumptions about how country pledges would be complied with. In the 2011 Bridging the Emissions Gap Report, scientists noted that enough technical potential existed to close the gap in 2020, but fast action by countries was needed. UNEP has now convened a group of 55 scientists and experts from 43 scientific groups across 22 countries to produce this third emissions gap report which covers the following: 1) An update of global greenhouse gas emission estimates, based on a number of different authoritative scientific sources; 2) An overview of national emission levels, both current (2010) and projected (2020) consistent with current pledges and other commitments; 3) An estimate of the level of global emissions consistent with the two degree target in 2020, 2030 and 2050; 4) An update of the assessment of the emissions gap for 2020; 5) A review of selected examples of the rapid progress being made in different parts of the world to implement policies already leading to substantial emission reductions. These policies could contribute significantly to narrowing the gap if they are scaled up and replicated in other countries. (Author)

  15. Cyclopropanes and hypervalent iodine reagents: high energy compounds for applications in synthesis and catalysis.

    Science.gov (United States)

    Fernández González, Davinia; De Simone, Filippo; Brand, Jonathan P; Nicolai, Stefano; Waser, Jérôme

    2011-01-01

    One of the major challenges faced by organic chemistry is the efficient synthesis of increasingly complex molecules. Since October 2007, the Laboratory of Catalysis and Organic Synthesis (LCSO) at EPFL has been working on the development of catalytic reactions based on the Umpolung of the innate reactivity of functional groups. Electrophilic acetylene synthons have been developed using the exceptional properties of ethynyl benziodoxolone (EBX) hypervalent iodine reagents for the alkynylation of heterocycles and olefins. The obtained acetylenes are important building blocks for organic chemistry, material sciences and chemical biology. The ring-strain energy of donor-acceptor cyclopropanes was then used in the first catalytic formal homo-Nazarov cyclization. In the case of aminocyclopropanes, the method could be applied in the synthesis of the alkaloids aspidospermidine and goniomitine. The developed methods are expected to have a broad potential for the synthesis and functionalization of complex organic molecules, including carbocycles and heterocycles.

  16. Synthesis and preliminary evaluation of N-acylhydrazone compounds as antibacterial and antifungal agents; Sintese e avaliacao preliminar da atividade antibacteriana e antifungica de derivados N-acilidrazonicos

    Energy Technology Data Exchange (ETDEWEB)

    Cachiba, Thomas Haruo; Carvalho, Bruno Demartini; Carvalho, Diogo Teixeira [Universidade Federal de Alfenas, MG (Brazil). Fac. de Ciencias Farmaceuticas. Dept. de Alimentos e Medicamentos; Cusinato, Marina; Prado, Clara Gaviao; Dias, Amanda Latercia Tranches, E-mail: diogo.carvalho@unifal-mg.edu.br [Universidade Federal de Alfenas, MG (Brazil). Inst. de Ciencias Biomedicas

    2012-07-01

    We describe the synthesis and evaluation of N-acylhydrazone compounds bearing different electron-donating groups in one of its aromatic rings, obtained using a four-step synthetic route. IC{sub 50} values against pathogenic fungi and bacteria were determined by serial microdilution. Compounds showed low activity against Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa. By contrast, a derivative with a meta-oriented electron-donating group showed significant activity (IC50) against Candida albicans (17 {mu}M), C. krusei (34 {mu}M) and C. tropicalis (17 {mu}M). Results suggest this is a promising lead-compound for synthesis of potent antifungal agents. (author)

  17. Synthesis of the Demospongic Compounds, (6Z, 11Z-Octadecadienoic Acid and (6Z, 11Z-Eicosadienoic Acid

    Directory of Open Access Journals (Sweden)

    V. R. Mamdapur

    1997-01-01

    Full Text Available A stereoselective synthesis of (6Z, 11Z-octadecadienoic acid (1 and (6Z, 11Z-eicosadienoic acid (2 from easily accessible pentane-1,5-diol (3 is described. Thus, compound 3 on pyranylation and oxidation gave the aldehyde 5 which was converted to the acid 7 by Wittig reaction with a suitable phosphorane. Its depyranylation and oxidation furnished the key aldehyde 9 which upon Wittig reaction with n-heptylidene and n-nonylidene phosphoranes, respectively followed by alkaline hydrolysis afforded the title acids.

  18. Synthesis of α-amino-1,3-dicarbonyl compounds via Ugi flow chemistry reaction: access to functionalized 1,2,3-triazoles.

    Science.gov (United States)

    Vasconcelos, Stanley N S; Fornari, Evelin; Caracelli, Ignez; Stefani, Hélio A

    2017-11-01

    The Ugi multicomponent reaction has been used as an important synthetic route to obtain compounds with potential biological activity. We present the rapid and efficient synthesis of [Formula: see text]-amino-1,3-dicarbonyl compounds in moderate to good yields via Ugi flow chemistry reactions performed with a continuous flow reactor. Such [Formula: see text]-amino-1,3-dicarbonyl compounds can act as precursors for the production of [Formula: see text]-amino acids via hydrolysis of the ethyl ester group as well as building blocks for the synthesis of novel compounds with the 1,2,3-triazole ring. The [Formula: see text]-amino acid derivatives of the Ugi flow chemistry reaction products were then used for dipeptide synthesis.

  19. Synthesis and preliminary biological evaluation of a compound library of triazolylcyclitols.

    Science.gov (United States)

    Carrau, Gonzalo; Drewes, Carine C; Shimada, Ana Lúcia B; Bertucci, Ana; Farsky, Sandra H P; Stefani, Helio A; Gonzalez, David

    2013-07-15

    A small library of compounds was prepared by a combination of toluene dioxygenase (TDO)-catalyzed enzymatic dihydroxylation and copper(I)-catalyzed Hüisgen cycloaddition. Some compounds were obtained by coupling an alkyne and a conduritol derivative, while more complex structures were obtained by a double Hüisgen reaction of a dialkyne and two molecules of the cyclitol. The compounds were fully characterized and subjected to preliminary biological screening. Copyright © 2013 Elsevier Ltd. All rights reserved.

  20. Synthesis of sulfenamides, derivatives of morpholine, 4-aminomorpholine and thiomorpholine as compounds of potential radioprotective action

    Energy Technology Data Exchange (ETDEWEB)

    Strzelczyk, M.; Kucharski, A. (Wojskowa Akademia Medyczna, Lodz (Poland))

    1979-01-01

    Sulfenamides belong to the group of compounds displaying radioprotective action. Their mechanism of action is based mainly on the protection against oxygenation. Six compounds were synthetized four of which i.e. 3-nitrophenylothiomorpholine, 2,4-dinitrophenylothiomorpholine, 2,4-dinitrophenylothio-4-aminomorpholine and 2,4-dinitrophenylothiothiomorpholine were to date not described in the literature. The structure of the synthetized compounds was confirmed by elementary and infrared spectral analysis.

  1. checkCIF/PLATON report Datablock: compound1

    Indian Academy of Sciences (India)

    checkCIF/PLATON report. You have not supplied any structure factors. As a result the full set of tests cannot be run. THIS REPORT IS FOR GUIDANCE ONLY. IF USED AS PART OF A REVIEW PROCEDURE. FOR PUBLICATION, IT SHOULD NOT REPLACE THE EXPERTISE OF AN EXPERIENCED. CRYSTALLOGRAPHIC ...

  2. Synthesis and crystal structure of the quaternary compound AgFe{sub 2}GaTe{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Delgado, Gerzon E., E-mail: gerzon@ula.ve [Laboratorio de Cristalografía, Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101 (Venezuela, Bolivarian Republic of); Quintero, Eugenio; Tovar, Rafael; Grima-Gallardo, Pedro; Quintero, Miguel [Centro de Estudio de Semiconductores, Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101 (Venezuela, Bolivarian Republic of)

    2014-11-15

    Highlights: • New quaternary compound. • Synthesis from solid state reaction. • Crystal structure. • Rietveld refinement. - Abstract: The crystal structure of the quaternary compound AgFe{sub 2}GaTe{sub 4}, belonging to the system I–II{sub 2}–III–VI{sub 4}, was characterized by Rietveld refinement using X-ray powder diffraction data. The powder pattern was composed by 84.5% of the principal phase AgFe{sub 2}GaTe{sub 4} and 15.5% of the secondary phase FeTe. This material crystallizes with stannite structure in the tetragonal space group I-42m (N° 121), Z = 2, unit cell parameters a = 6.3409(2) Å, c = 12.0233(4) Å, V = 483.42(3) Å{sup 3}, and is isostructural with CuFe{sub 2}InSe{sub 4}.

  3. Synthesis and study on biological activity of nitrogen-containing heterocyclic compounds – regulators of enzymes of nucleic acid biosynthesis

    Directory of Open Access Journals (Sweden)

    Alexeeva I. V.

    2013-07-01

    Full Text Available Results of investigations on the development of new regulators of functional activity of nucleic acid biosynthesis enzymes based on polycyclic nitrogen-containing heterosystems are summarized. Computer design and molecular docking in the catalytic site of target enzyme (T7pol allowed to perform the directed optimization of basic structures. Several series of compounds were obtained and efficient inhibitors of herpes family (simple herpes virus type 2, Epstein-Barr virus, influenza A and hepatitis C viruses were identified, as well as compounds with potent antitumor, antibacterial and antifungal activity. It was established that the use of model test systems based on enzymes participating in nucleic acids synthesis is a promising approach to the primary screening of potential inhibitors in vitro.

  4. Self-propagating high temperature synthesis as a method of determination of formation heat of refractory compounds

    International Nuclear Information System (INIS)

    Maslov, V.M.; Neganov, A.S.; Borovinskaya, I.P.; Merzhanov, A.G.

    1978-01-01

    Determination possibility of formation heats of refractory compounds in the process of direct synthesis from elements in a special calorimeter in the combustion regime is studied. Determined are formation heats of carbides - ZrCsub(0.92), Hf Csub(0.93), TaCsub(0.86), borides - ZrB 2 , HfB 2 NbB, NbB 2 , TaB, TaB 2 , MoB and silicides - ZrSi, ZrSi 2 , MoSi 2 . The results of chemical and x-ray phase analyses of the synthesized compounds are also given. Total error of formation heat determination methods does not surpass 2.0%

  5. The emissions gap report 2013: A UNEP synthesis report

    Energy Technology Data Exchange (ETDEWEB)

    Puig, D.; Olhoff, A. [Technical Univ. of Denmark. DTU Management Engineering, UNEP Risoe Centre on Energy, Climate and Sustainable Development, DTU Risoe Campus, Roskilde (Denmark); Alcamo, J.; Demkine, V. [UNEP, Nairobi (Kenya); Metz, B. [European Climate Foundation, The Hague (Netherlands)

    2013-11-01

    With this fourth assessment of the gap between ambitions and needs, the United Nations Environment Programme seeks to inform governments and the wider public on how far the response to climate change has progressed over the past year, and thus whether the world is on track to meet the 2 deg. C target. In addition to reviewing national pledges and actions, this year's assessment, for the first time, also reviews international cooperative initiatives which, while potentially overlapping, serve to complement national pledges and actions. From a technical standpoint, meeting the 2 deg. C target remains possible: it will take a combination of full implementation of current national pledges and actions, a scaling up of the most effective international cooperative initiatives, and additional mitigation efforts at the country level. All these efforts will require strengthened policies aimed at curbing greenhouse gas emissions. Crucially, they also require the promotion of development pathways that can concomitantly reduce emissions. As in the previous assessment, this year's report provides updated analyses of a number of tried and tested sector-specific policy options to achieve this goal. Specifically, we show that actions taken in the agricultural sector can lower emissions and boost the overall sustainability of food production. Replicating these successful policies, and scaling them up, would provide one option for countries to go beyond their current pledges and help close the 'emissions gap'. (LN)

  6. Synthesis and toxicity evaluation of hydrophobic ionic liquids for volatile organic compounds biodegradation in a two-phase partitioning bioreactor

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez Castillo, Alfredo Santiago [Ecole Nationale Supérieure de Chimie de Rennes, CNRS, UMR 6226, 11 Allée de Beaulieu, CS 50837, 35708 Rennes Cedex 7 (France); Université européenne de Bretagne (France); Guihéneuf, Solène, E-mail: solene.guiheneuf@wanadoo.fr [Université européenne de Bretagne, Université de Rennes 1, Sciences Chimiques de Rennes, UMR, CNRS 6226, Groupe Ingénierie Chimique & Molécules Pour le Vivant (ICMV), Bât. 10A, Campus de Beaulieu, Avenue du Général Leclerc, CS 74205, 35042 Rennes cedex (France); Le Guével, Rémy [Plate-forme ImPACcell Structure Fédérative de Recherche BIOSIT Université de Rennes 1, Bat. 8, Campus de Villejean, 2 Avenue du Pr. Leon Bernard, CS 34317, 35043 Rennes Cedex (France); Biard, Pierre-François [Ecole Nationale Supérieure de Chimie de Rennes, CNRS, UMR 6226, 11 Allée de Beaulieu, CS 50837, 35708 Rennes Cedex 7 (France); Université européenne de Bretagne (France); and others

    2016-04-15

    Highlights: • Description of a VOC depollution system suitable with industrial processes, TPPB. • Novel association of TPPB and hydrophobic ionic liquids. • Synthesis of several hydrophobic ionic liquids designed to fit desired properties. • Toxicity evaluation of these ILs towards cells, animals and bacteria. - Abstract: Synthesis of several hydrophobic ionic liquids (ILs), which might be selected as good candidates for degradation of hydrophobic volatile organic compounds in a two-phase partitioning bioreactor (TPPB), were carried out. Several bioassays were also realized, such as toxicity evaluation on activated sludge and zebrafish, cytotoxicity, fluoride release in aqueous phase and biodegradability in order to verify their possible effects in case of discharge in the aquatic environment and/or human contact during industrial manipulation. The synthesized compounds consist of alkylimidazoliums, functionalized imidazoliums, isoqinoliniums, triazoliums, sulfoniums, pyrrolidiniums and morpholiniums and various counter-ions such as: PF{sub 6}{sup −}, NTf{sub 2}{sup −} and NfO{sup −}. Toxicity evaluation on activated sludge of each compound (5% v/v of IL) was assessed by using a glucose uptake inhibition test. Toxicity against zebrafish and cytotoxicity were evaluated by the ImPACCell platform of Rennes (France). Fluoride release in water was estimated by regular measurements using ion chromatography equipment. IL biodegradability was determined by measuring BOD{sub 28} of aqueous samples (compound concentration,1 mM). All ILs tested were not biodegradable; while some of them were toxic toward activated sludge. Isoquinolinium ILs were toxic to human cancerous cell lines. Nevertheless no toxicity was found against zebrafish Danio rerio. Only one IL released fluoride after long-time agitation.

  7. Synthesis and toxicity evaluation of hydrophobic ionic liquids for volatile organic compounds biodegradation in a two-phase partitioning bioreactor

    International Nuclear Information System (INIS)

    Rodriguez Castillo, Alfredo Santiago; Guihéneuf, Solène; Le Guével, Rémy; Biard, Pierre-François

    2016-01-01

    Highlights: • Description of a VOC depollution system suitable with industrial processes, TPPB. • Novel association of TPPB and hydrophobic ionic liquids. • Synthesis of several hydrophobic ionic liquids designed to fit desired properties. • Toxicity evaluation of these ILs towards cells, animals and bacteria. - Abstract: Synthesis of several hydrophobic ionic liquids (ILs), which might be selected as good candidates for degradation of hydrophobic volatile organic compounds in a two-phase partitioning bioreactor (TPPB), were carried out. Several bioassays were also realized, such as toxicity evaluation on activated sludge and zebrafish, cytotoxicity, fluoride release in aqueous phase and biodegradability in order to verify their possible effects in case of discharge in the aquatic environment and/or human contact during industrial manipulation. The synthesized compounds consist of alkylimidazoliums, functionalized imidazoliums, isoqinoliniums, triazoliums, sulfoniums, pyrrolidiniums and morpholiniums and various counter-ions such as: PF_6"−, NTf_2"− and NfO"−. Toxicity evaluation on activated sludge of each compound (5% v/v of IL) was assessed by using a glucose uptake inhibition test. Toxicity against zebrafish and cytotoxicity were evaluated by the ImPACCell platform of Rennes (France). Fluoride release in water was estimated by regular measurements using ion chromatography equipment. IL biodegradability was determined by measuring BOD_2_8 of aqueous samples (compound concentration,1 mM). All ILs tested were not biodegradable; while some of them were toxic toward activated sludge. Isoquinolinium ILs were toxic to human cancerous cell lines. Nevertheless no toxicity was found against zebrafish Danio rerio. Only one IL released fluoride after long-time agitation.

  8. New Benzimidazole-1,2,4-Triazole Hybrid Compounds: Synthesis, Anticandidal Activity and Cytotoxicity Evaluation

    Directory of Open Access Journals (Sweden)

    Hülya Karaca Gençer

    2017-03-01

    Full Text Available Owing to the growing need for antifungal agents, we synthesized a new series 2-((5-(4-(5-substituted-1H-benzimidazol-2-ylphenyl-4-substituted-4H-1,2,4-triazol-3-ylthio-1-(substitutedphenylethan-1-one derivatives, which were tested against Candida species. The synthesized compounds were characterized and elucidated by FT-IR, 1H-NMR, 13C-NMR and HR-MS spectroscopies. The synthesized compounds were screened in vitro anticandidal activity against Candida species by broth microdiluation methods. In vitro cytotoxic effects of the final compounds were determined by MTT assay. Microbiological studies revealed that compounds 5m, 5o, 5r, 5t, 5y, 5ab, and 5ad possess a good antifungal profile. Compounds 5w was the most active derivative and showed comparable antifungal activity to those of reference drugs ketoconazole and fluconazole. Cytotoxicity evaluation of compounds 5m, 5o, 5r, 5w, 5y, 5ab and 5ad showed that compounds 5w and 5ad were the least cytotoxic agents. Effects of these two compounds against ergosterol biosynthesis were observed by LC-MS-MS method, which is based on quantification of ergosterol level in C. albicans. Compounds 5w and 5d inhibited ergosterol biosynthesis concentration dependently. A fluorescence microscopy study was performed to visualize effect of compound 5w against C. albicans at cellular level. It was determined that compound 5w has a membrane damaging effect, which may be related with inhibition of biosynthesis of ergosterol.

  9. Prediction of Multi-Target Networks of Neuroprotective Compounds with Entropy Indices and Synthesis, Assay, and Theoretical Study of New Asymmetric 1,2-Rasagiline Carbamates

    Directory of Open Access Journals (Sweden)

    Francisco J. Romero Durán

    2014-09-01

    Full Text Available In a multi-target complex network, the links (Lij represent the interactions between the drug (di and the target (tj, characterized by different experimental measures (Ki, Km, IC50, etc. obtained in pharmacological assays under diverse boundary conditions (cj. In this work, we handle Shannon entropy measures for developing a model encompassing a multi-target network of neuroprotective/neurotoxic compounds reported in the CHEMBL database. The model predicts correctly >8300 experimental outcomes with Accuracy, Specificity, and Sensitivity above 80%–90% on training and external validation series. Indeed, the model can calculate different outcomes for >30 experimental measures in >400 different experimental protocolsin relation with >150 molecular and cellular targets on 11 different organisms (including human. Hereafter, we reported by the first time the synthesis, characterization, and experimental assays of a new series of chiral 1,2-rasagiline carbamate derivatives not reported in previous works. The experimental tests included: (1 assay in absence of neurotoxic agents; (2 in the presence of glutamate; and (3 in the presence of H2O2. Lastly, we used the new Assessing Links with Moving Averages (ALMA-entropy model to predict possible outcomes for the new compounds in a high number of pharmacological tests not carried out experimentally.

  10. Synthesis and optoelectronic characterization of some triphenylamine-based compounds containing strong acceptor substituents

    Energy Technology Data Exchange (ETDEWEB)

    Grigoras, Mircea, E-mail: grim@icmpp.ro; Ivan, Teofilia; Vacareanu, Loredana; Catargiu, Ana Maria; Tigoianu, Radu

    2014-09-15

    Three novel triphenylamine-based compounds containing strong electron acceptor groups have been synthesized and their comparative photophysical properties are presented. These compounds were obtained by a two-step method: (i) triphenylamine compounds with one, two and three phenylacetylene arms were synthesized by Sonogashira reaction between iodine-substituted triphenylamines and phenylacetylene, followed by (ii) post-modification of these electron-rich alkynes by addition of the strong electron acceptor, tetracyanoethylene. Characterization of all oligomers was made by FTIR, {sup 1}H-NMR, UV–vis and fluorescence spectroscopy. A batochromic shifting of the UV and photoluminescence maxima was observed with the increase of the acceptor group number. The electrochemical behavior was studied by cyclic voltammetry. The cyclic voltammograms have evidenced that triphenylamine-phenylacetylene compounds undergo only oxidation processes while compounds modified with tetracyanoethylene show both oxidation and reduction peaks associated with donor and acceptor groups, respectively. The donor–acceptor compounds coordinate metal ions (i.e., Hg{sup 2+} and Sn{sup 2+}) by cyano groups resulting in the decreasing of charge transfer band intensity, and they can be used as chemosensors. - Highlights: • Three triphenylamine-based ethynylene compounds were prepared by Sonogashira reaction. • Post-modification of ethynylene linkages by tetracyanethylene cycloaddition and retroconversion led to donor–acceptor compounds. • Photophysical properties of donor–acceptor oligomers were studied in different solvents.

  11. Combustion synthesis: A new approach for preparation of thermoelectric zinc antimonide compounds

    Energy Technology Data Exchange (ETDEWEB)

    Rouessac, F., E-mail: Florence.Rouessac@univ-montp2.fr [Institut Charles Gerhardt Montpellier, UMR 5253 CNRS-UM2-ENSCM-UM1, C2M Universite Montpellier 2, CC 1504 Place Eugene Bataillon, 34095 Montpellier Cedex 5 (France); Ayral, R.-M. [Institut Charles Gerhardt Montpellier, UMR 5253 CNRS-UM2-ENSCM-UM1, C2M Universite Montpellier 2, CC 1504 Place Eugene Bataillon, 34095 Montpellier Cedex 5 (France)

    2012-07-25

    Highlights: Black-Right-Pointing-Pointer Reliable preparation method of thermoelectric materials. Black-Right-Pointing-Pointer Formation of zinc antimonide by the combustion synthesis method is investigated. Black-Right-Pointing-Pointer XRD and Raman spectroscopy as a function of temperature. Black-Right-Pointing-Pointer SHS: a new way for synthesizing thermoelectric materials. - Abstract: Due to the interesting properties of Zn{sub 4}Sb{sub 3} thermoelectric material, a reliable preparation method of this material is required. In this study, the formation of zinc antimonides by the combustion synthesis method is investigated and subjected to characterization using X-ray diffraction and Raman spectroscopy as a function of temperature. The results show that combustion synthesis can be a new way for synthesizing these thermoelectric materials.

  12. Novel Microwave-Assisted Synthesis of the Immunomodulator Organotellurium Compound Ammonium Trichloro(dioxoethylene-O,O'tellurate (AS101

    Directory of Open Access Journals (Sweden)

    M. Pilar Vázquez-Tato

    2014-02-01

    Full Text Available Ammonium trichloro[1,2-ethanediolato-O,O']-tellurate (AS101 is the most important synthetic Te compound from the standpoint of its biological activity. It is a potent immunomodulator with a variety of potential therapeutic applications and antitumoral action in several preclinical and clinical studies. An experimental design has been used to develop and optimize a novel microwave-assisted synthesis (MAOS of the AS101. In comparison to the results observed in the literature, refluxing Te(IV chloride and ethylene glycol in acetonitrile (Method A, or by refluxing Te(IV chloride and ammonium chloride in ethylene glycol (Method B, it was found that the developed methods in the present work are an effective alternative, because although performance slightly decreases compared to conventional procedures (75% vs. 79% by Method A, and 45% vs. 51% by Method B, reaction times decreased from 4 h to 30 min and from 4 h to 10 min, by Methods A and B respectively. MAOS is proving to be of value in the rapid synthesis of compounds with new and improved biological activities, specially based on the benefit of its shorter reaction times.

  13. Supercritical fluid synthesis inthe preparation of β+-emitting labelled compounds

    International Nuclear Information System (INIS)

    Jacobson, G.; Markides, K.E.; Laangstroem, B.

    1994-01-01

    A system for synthesis in supercritical fluids has been developed for the microscale synthesis of pharmaceuticals labelled with 11 C. Supercritical ammonia was selected as the reaction medium and the following variables were studied in detail: trapping efficiency, cell design, substrate concentration, operation design, and temperature and pressure conditions. Alkylation of phenol by [ 11 C]methyl iodide to yield [methyl- 11 C]anisole was used as a model reaction for evaluation of the system. The results show an increased radiochemical yield in the highly compressible near-critical region. (au) (40 refs.)

  14. ACN-France, Aarhus Convention and Nuclear - Synthesis report

    International Nuclear Information System (INIS)

    2012-01-01

    This report first recalls the Aarhus Convention and Nuclear (ACN) process and proposes a presentation of the thematic and program of the three work-groups. Respectively, these work-groups addressed the return on experience on the search process for a Low Activity Long Life radioactive waste storage site, the application of the Convention articles addressing the modalities of public participation and information, and the issue of the empowerment and access to expertise of actors belonging to the civil society. Then, this report contains conclusions and recommendations made by these work-groups, and proposes a synthesis of recommendations aimed at improving public information and participation to decision processes while linking regional and national levels

  15. Synthesis of C-di-saccharidic compounds by radical cyclisation. Study of biological, structural and dynamic properties

    International Nuclear Information System (INIS)

    Rubinstenn, Gilles

    1996-01-01

    The synthesis of carbohydrate mimics and particularly of C-disaccharides, molecules in which the inter-glycosidic oxygen atom has been replaced by a methylene group, has become, this past two decades, an important challenge in organic chemistry. In the first chapter we present the synthesis of C-disaccharides from the neutral series by a silaketal tethering. The key step of this C-glycosylation is a radical macro-cyclisation. This strategy is applied to the synthesis of two analogues of natural, biologically active, products, the lactose and the Lewis x tri-saccharide. The biological activity of this mimetics is then evaluated. A new tethering strategy, based on the use of phosphorus III compounds, is applied, in the second chapter, to the building of C-disaccharides of the 2'-amino 2'- deoxy series. The third chapter deals with the structural and dynamics study of the C-glycosides prepared in chapter 1 by Nuclear Magnetic Resonance. A new methodology, studying the dipolar relaxation along an effective field, generated through an off-resonance RF field, allowed the precise measurement of longitudinal and transverse cross-relaxation rates. Structural and dynamics parameter thus derived are used as restraints for molecular modeling. The results of this study are then compared to those of the biological tests. (author) [fr

  16. Synthesis and characterization of montmorillonite clay intercalated with molecular magnetic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Martins, Marcel G.; Martins, Daniel O.T.A.; Carvalho, Beatriz L.C. de [Instituto de Química, Universidade Federal Fluminense, Niterói, RJ 24.020–150 (Brazil); Mercante, Luiza A. [Laboratório Nacional de Nanotecnologia para o Agronegócio (LNNA), Embrapa Instrumentação, São Carlos, SP 13560 970 (Brazil); Soriano, Stéphane [Instituto de Física, Universidade Federal Fluminense, Niterói, RJ 24.210 346 (Brazil); Andruh, Marius [Inorganic Chemistry Laboratory, Faculty of Chemistry, University of Bucharest, Str. Dumbrava Rosie nr. 23, Bucharest (Romania); Vieira, Méri D., E-mail: gqimeri@vm.uff.br [Instituto de Química, Universidade Federal Fluminense, Niterói, RJ 24.020–150 (Brazil); Vaz, Maria G.F., E-mail: mariavaz@vm.uff.br [Instituto de Química, Universidade Federal Fluminense, Niterói, RJ 24.020–150 (Brazil)

    2015-08-15

    In this work montmorillonite (MMT) clay, whose matrix was modified with an ammonium salt (hexadecyltrimethylammonium bromide – CTAB), was employed as an inorganic host for the intercalation of three different molecular magnetic compounds through ion exchange: a nitronyl nitroxide derivative 2-[4-(N-ethyl)-pyridinium]-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide (p-EtRad{sup +}) and two binuclear coordination compounds, [Ni(valpn)Ln]{sup 3+}, where H{sub 2}valpn stands for 1,3-propanediyl-bis(2-iminomethylene-6-methoxy-phenol), and Ln=Gd{sup III}; Dy{sup III}. The pristine MMT and the intercalated materials were characterized by X-ray powder diffraction (XRD), infrared spectroscopy (IR), scanning electron microscopy (SEM), thermogravimetric analysis (TGA) and magnetic measurements. The X-ray diffraction data analysis showed an increase of the interlamellar space of the intercalated MMT, indicating the intercalation of the magnetic compounds. Furthermore, the magnetic properties of the hybrid compounds were investigated, showing similar behavior as the pure magnetic guest species. - Graphical abstract: Montmorillonite clay was employed as inorganic host for the intercalation of three different molecular magnetic compounds through ion exchange - Highlights: • Montmorillonite was employed as a host material. • Three molecular magnetic compounds were intercalated through ion exchange. • The compounds were successful intercalated maintaining the layered structure. • The hybrid materials exhibited similar magnetic behavior as the pure magnetic guest.

  17. Compound Odontoma with an Unusual Appearance: Case Report

    Directory of Open Access Journals (Sweden)

    Mahdi Niknami

    2016-10-01

    Full Text Available The term odontoma is used to identify a tumor that is characterized by the production of mature enamel, dentin, cementum and pulp tissue and may interfere with the eruption of the associated tooth. The present report describes an odontoma in a 13-year-old boy, which is associated with an impacted tooth through a canal

  18. Synthesis and evaluation of germanic organometallic compounds as precursors for chemical vapor deposition (CVD) and for obtaining nanoparticles of elemental germanium

    International Nuclear Information System (INIS)

    Ballestero Martinez, Ernesto

    2014-01-01

    The interest in the development of materials that have applications in areas such as electronics or biomarkers has affected the synthesis of new compounds based on germanium. This element has two states of common oxidation, +4 and +2, of them, the +2 oxidation state is the least studied and more reactive. Additionally, compounds of germanium (II) have similarities to carbenes in terms Lewis'acid base chemistry. The preparation of compounds of germanium (II) with ligands β-diketiminates has made possible the stabilization of new chemical functionalities and, simultaneously, it has provided interesting thermal properties to develop new methods of preparation of materials with novel properties. The preparation of amides germanium (II) L'Ge (NHPh) [1, L'= {HC (CMeN-2,4,6-Me 3 C 6 H 2 ) 2 } - ], L'Ge (4-NHPy) [2], L'Ge (2-NHPy) [3] and LGe(2-NHPy) [4, L = {HC (CMeN-2,6- i Pr 2 C 6 H 3 ) 2 ] - ] are presented, the chemical and structural composition was determined by using techniques such as nuclear magnetic resonance ( 1 H, 13 C), elemental analysis, melting point, infrared spectroscopy, X-ray diffraction of single crystal and thermogravimetric analysis (TGA). The TGA has demonstrated that 1-4 experience a thermal decomposition, therefore, these compounds could be considered as potential starting materials for the obtaining of germanium nitride (GeN x ). Certainly, the availability of coordinating nitrogen atoms in the chemical composition in 2-4 have been interesting given that it could act as ligands in reactions with transition metal complexes. Thus, relevant information to molecular level could be obtained for some reactions and interactions that have used similar link sites in surface chemistry, for example, the chemical functionalization of silicon and germanium substrate. Additionally, the synthesis and structural characterization of germanium chloride compound (II) L G eCl [5, L' = HC{(CMe) (N-2,6-Me 2 C 6 H 3 )} 2 - ] is reported

  19. Synthesis by two methods and crystal structure determination of a new pyrochlore-related compound Sm{sub 2}FeTaO{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Torres-Martinez, Leticia M., E-mail: lettorresg@yahoo.com [Departamento de Ecomateriales y Energia, Facultad de Ingenieria Civil, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, San Nicolas de los Garza, Nuevo Leon 66450 (Mexico); Ruiz-Gomez, Miguel A. [Departamento de Ecomateriales y Energia, Facultad de Ingenieria Civil, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, San Nicolas de los Garza, Nuevo Leon 66450 (Mexico); Facultad de Ciencias Quimicas, Universidad Autonoma de San Luis Potosi, Av. Manuel Nava 6, San Luis Potosi, S.L.P. 78290 (Mexico); Figueroa-Torres, M.Z.; Juarez-Ramirez, Isaias [Departamento de Ecomateriales y Energia, Facultad de Ingenieria Civil, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, San Nicolas de los Garza, Nuevo Leon 66450 (Mexico); Moctezuma, Edgar [Facultad de Ciencias Quimicas, Universidad Autonoma de San Luis Potosi, Av. Manuel Nava 6, San Luis Potosi, S.L.P. 78290 (Mexico); and others

    2012-04-16

    Graphical abstract: The monoclinic (space group C2/c) structure of a new compound, Sm{sub 2}FeTaO{sub 7} shows an alternating Sm-O and Fe/Ta-O layers. In the Fe/Ta-O layer, Fe/Ta1 and Fe/Ta3 cations are coordinated by six oxygen atoms, forming irregular octahedral interconnected into a hexagonal tungsten bronze (HTB) type network. The HTB layer is a fundamental framework in the pyrohlore-related structure. Highlights: Black-Right-Pointing-Pointer Pyrochlore-related compound Sm{sub 2}FeTaO{sub 7} prepared by solid state reaction and sol-gel. Black-Right-Pointing-Pointer Sm{sub 2}FeTaO{sub 7} crystallizes with a monoclinic crystal structure and space group C2/c. Black-Right-Pointing-Pointer The compound is synthesized by sol-gel at lower temperature and time than solid state. Black-Right-Pointing-Pointer Surface area of sol-gel Sm{sub 2}FeTaO{sub 7} is 10 times higher than that prepared by solid state. - Abstract: This paper reports on the synthesis of a new pyrochlore-related compound Sm{sub 2}FeTaO{sub 7} by both solid state reaction and sol-gel synthesis routes. Structural features were determined by X-ray powder diffraction and Rietveld refinement and were corroborated using Transmission Electron Microscopy (TEM). The results revealed that Sm{sub 2}FeTaO{sub 7} crystallized in the monoclinic system with space group C2/c and the following cell parameters: a = 13.1307(5) Angstrom-Sign , b = 7.5854(3) Angstrom-Sign , c = 11.6425(4) Angstrom-Sign and {beta} = 100.971(2) Degree-Sign . The monoclinic structure of Sm{sub 2}FeTaO{sub 7} showed an arrangement of alternating Sm-O and Fe/Ta-O layers and two types of irregular octahedra of Fe/Ta-O, which are interconnected into a hexagonal tungsten bronze (HTB)-type network. On the other hand, Sm{sub 2}FeTaO{sub 7} prepared by sol-gel was obtained with lower particle sizes than the solid state produced compound. The difference in particle size causes a difference of one order of magnitude in the specific surface area. In

  20. 28. Zvenigorod conference on the plasma physics and controlled thermonuclear synthesis. Theses of reports

    International Nuclear Information System (INIS)

    2001-01-01

    Theses of reports, presented at the 28th Conference on the plasma physics and controlled thermonuclear synthesis (Zvenigorod, 19-23 February 2001) are published. 246 reports were heard at the following sections: magnetic confinement, theory and experiments; inertial thermonuclear synthesis; plasma processes and physics of gas-discharge plasma; physical bases of plasma technologies. 17 reports had the summarizing character [ru

  1. Synthesis and structures of two cobalt compounds of 2-amino-2 ...

    Indian Academy of Sciences (India)

    as catalysis, magnetism and luminescence.1 7 One of the most fascinating challenges ... program and refined by the full-matrix least-squares method on F2 with the ..... R E P 2012 Synthesis and characterisation of cobalt(II) phosphonate cage ...

  2. Tandem Mannich/Diels–Alder reactions for the synthesis of indole compound libraries

    DEFF Research Database (Denmark)

    Wu, Peng; Petersen, Michael Åxman; Petersen, Rico

    2016-01-01

    A tandem Mannich/Diels–Alder sequence for the synthesis of small-molecule libraries with an indolyl-octahydro-3a,6-epoxy-isoindole core structure is demonstrated in this study. Representative diversification examples based on this scaffold were performed, and a library is being produced within...

  3. Synthesis of labelled compound of ferulic acid and caffeic acid with tritium

    International Nuclear Information System (INIS)

    Yi Mingguang; Wang Caiyun

    1986-01-01

    Effective components of Chinese traditional herbs consist of many compounds, but some of the compounds usually contain unsaturated carbon-carbon double bonds. The unsaturated organic compounds 3 H-Ferulic acid and 3 H-Caffeic acid are prepared with their tritiated intermediates made by electric-dischange exposure method, which ensures the compounds contaning double bonds not hydrogenated. The 3 H-Ferulic acid is composed of 3 H-vanillin and Malonic acid. The 3 H-Caffeic acid is composed of 3 H-protocatechuyl aldehyde and Malonic acid and the specific activity of the products is 0.2 mCi/mg. The radiochemicaly purity is greater than 90%

  4. Synthesis and anti-lung cancer activity of a novel arsenomolybdate compound

    Science.gov (United States)

    Zhu, Tian-Tian; Wang, Juan; Chen, Song-Hu

    2017-12-01

    The new compound based on Wells-Dawson-type arsenomolybdate: [{Cu10(pz)11Cl4}{As2IIIAs2VMo6VMo12VIO62}]·H2O (1) has been hydrothermally synthesized and characterized by single-crystal X-ray diffraction analysis, X-ray powder diffraction (XRPD), XPS spectroscopy and thermogravimetric analysis (TG). Compound 1 is consisted of two As caps Wells-dawson-type arsenomolybdate and {Cu10(py)11} complexes by chloride bridge. In addition, the antitumor effects of the title compound 1 were studied on three human lung cancer cells (A549, SK-LU-1 and SW1573). The results showed that compared with the positive reference drug carboplatin, compound 1 displayed efficient antitumor activity.

  5. Utilization of Cyanoacetohydrazide and Oxadiazolyl Acetonitrile in the Synthesis of Some New Cytotoxic Heterocyclic Compounds.

    Science.gov (United States)

    Shaker, Soheir A; Marzouk, Magda I

    2016-01-29

    A (pyridazinyl)acetate derivative was reacted with thiosemicarbazide and hydrazine hydrate to yield spiropyridazinone and acetohydrazide derivatives, respectively. The acetohydrazide derivative was used as a starting material for synthesizing some new heterocyclic compounds such as oxoindolinylidene, dimethylpyrazolyl, methylpyrazolyl, oxopyrazolyl, cyanoacetylacetohydrazide and oxadiazolylacetonitrile derivatives. The behavior of the cyanoacetylacetohydrazide and oxadiazolylacetonitrile derivatives towards nitrogen and carbon nucleophiles was investigated. The assigned structures of the prepared compounds were elucidated by spectral methods (IR, ¹H-NMR (13)C-NMR and mass spectroscopy). Some of the newly prepared compounds were tested in vitro against a panel of four human tumor cell lines, namely hepatocellular carcinoma (liver) HePG-2, colon cancer HCT-116, human prostate cancer PC3, and mammary gland breast MCF-7. Also they were tested as antioxidants. Almost all of the tested compounds showed satisfactory activity.

  6. Synthesis of morpholine derivatives and Bunte's salt as compounds of potential radioprotective activity

    Energy Technology Data Exchange (ETDEWEB)

    Strzelczyk, M.; Kucharski, A. (Wojskowa Akademia Medyczna, Lodz (Poland))

    1980-01-01

    The purpose of the present study was to obtain several compounds possessing radioprotective activity. The syntheses yielded seven undescribed compounds i.e.: benzyl ester of the N-morpholinecarbathionothioglicol acid, ester bis S-(morpholine-4-thiocarbonyl)-2-thioethyl, morpholine salt of the N-morpholinecarbothionothiolic acid, sodium and potassium salt of S-morpholine-4-carbonyl, methylthiosulfate, sodium and potassium salt of beta-hydroxyethyl thiosulfate. Moreover, with the aid of other methods following compounds were synthetized: beta-S-(morpholine-4-thiocarbonyl) ethyl thiopropioniane, amide of the S-(morpholine-4-thiocarbonyl)-thioglicol acid, acid S-(morpholine-4-thiocarbonyl)-thioglicol acid, sodium salt of the S-(morpholine-4-thiocarbonyl)-thioglicol acid. The structure of these compounds was confirmed using elementary and spectral analysis.

  7. Abstracts of the papers presented at the workshop 'synthesis and application of radioactively labelled organic compounds'

    International Nuclear Information System (INIS)

    1988-10-01

    The abstracts of the 12 papers read at the Rossendorf workshop comprise syntheses and radioactive labelling of organic compounds such as herbicides, steroids, peptides and others and their application as tracers, above all in kinetic studies

  8. Claisen, Cope and Related Rearrangements in the Synthesis of Flavour and Fragrance Compounds

    Directory of Open Access Journals (Sweden)

    Janusz Nowicki

    2000-08-01

    Full Text Available A review of the use of the Claisen, Cope and related [3,3]-sigmatropic rearrangements, sequential ("tandem" sigmatropic rearrangements and the "ene" reaction in the syntheses of flavour and fragrance compounds is presented.

  9. Synthesis and Antimicrobial Activity of New Schiff Base Compounds Containing 2-Hydroxy-4-pentadecylbenzaldehyde Moiety

    Directory of Open Access Journals (Sweden)

    Gadada Naganagowda

    2014-01-01

    Full Text Available Various novel Schiff base compounds have been synthesized by reaction of 2-hydroxy-4-pentadecylbenzaldehyde with substituted benzothiophene-2-carboxylic acid hydrazide and different substituted aromatic or heterocyclic amines in the presence of acetic acid in ethanol. The structures of all these compounds were confirmed by elemental analysis, IR, 1H-NMR, 13C-NMR, and mass spectral data and have been screened for antibacterial and antifungal activity.

  10. Synthesis and characterization of a ferrous compound material obtained by combustion of ferroboron and ferrotitanium mixtures

    International Nuclear Information System (INIS)

    Bejar, M.A; Fuenzalida, J.L

    2008-01-01

    A ferrous compound material was synthesized in this work, by the air auto-combustion of mixtures of powdered ferroboron and ferrotitanium, compacted under pressures of 79 and 93 MPa and preheated to a temperature of about 1000 o C. The synthesized compounds were characterized by XRD analysis, and macro and micro-hardness tests. The formation of titanium diboride was found in all the synthesized test pieces (au)

  11. Synthesis of Some Novel Thiadiazole Derivative Compounds and Screening Their Antidepressant-Like Activities

    Directory of Open Access Journals (Sweden)

    Nafiz Öncü Can

    2018-03-01

    Full Text Available Novel thiadiazole derivatives were synthesized through the reaction of acetylated 2-aminothiadiazole and piperazine derivatives. The chemical structures of the compounds were clarified by Infrared Spectroscopy (IR, 1H Nuclear Magnetic Resonance Spectroscopy (1H-NMR, 13C Nuclear Magnetic Resonance Spectroscopy (13C-NMR and Electronspray Ionisation Mass Spectroscopy (ESI-MS spectroscopic methods. Antidepressant-like activities were evaluated by the tail-suspension (TST and modified forced swimming (MFST methods. Besides, possible influence of the test compounds on motor activities of the animals were examined by activity cage tests. In the TST, administration of the compounds 2c, 2d, 2e, 2f, 2g and 2h significantly decreased the immobility time of mice regarding the control values. Further, in the MFST, the same compounds reduced the total number of immobility behaviors while increasing swimming performance. However, no change was observed in the total number of climbing behaviors. These data suggested that compounds 2c, 2d, 2e, 2f, 2g and 2h possess notable antidepressant-like activities. Reference drug fluoxetine (10 mg/kg was also exhibited its antidepressant activity, as expected. No significant difference was seen between the locomotor activity values of the test groups signifying that observed antidepressant-like activities are specific. Theoretical calculation of absorption, distribution, metabolism, excretion (ADME properties for the obtained compounds were performed and obtained data supported the antidepressant-like potential of these novel thiadiazole derivatives.

  12. Characterization of rhenium compounds obtained by electrochemical synthesis after aging process

    Energy Technology Data Exchange (ETDEWEB)

    Vargas-Uscategui, Alejandro, E-mail: avargasuscat@ing.uchile.cl [Departamento de Ingeniería de Minas, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Tupper Av. 2069, Santiago (Chile); Mosquera, Edgar [Laboratorio de Materiales a Nanoescala, Departamento de Ciencia de los Materiales, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Tupper Av. 2069, Santiago (Chile); López-Encarnación, Juan M. [Department of Mathematics-Physics and Department of Chemistry, University of Puerto Rico at Cayey, 205 Ave. Antonio R. Barceló, Cayey, PR 00736, USA. (Puerto Rico); Chornik, Boris [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Blanco Encalada Av. 2008, Santiago (Chile); Katiyar, Ram S. [Department of Physics and Institute for Functional Nanomaterials, University of Puerto Rico San Juan, San Juan, PR 00931-3343 (United States); Cifuentes, Luis [Departamento de Ingeniería de Minas, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Tupper Av. 2069, Santiago (Chile)

    2014-12-15

    The proper identification of the molecular nature of the aged rhenium compound obtained by means of electrodeposition from an alkaline aqueous electrolyte was determined. Chemical, structural and vibrational experimental characterization of the aged Re compound showed agreement with quantum-computations, thereby allowing the unambiguous identification of the Re compound as H(ReO{sub 4})H{sub 2}O. - Graphical abstract: Rhenium oxides were electrodeposited on a copper surface and after environmental aging was formed the H(ReO{sub 4})H{sub 2}O compound. The characterization of the synthesized material was made through the comparison of experimental evidence with quantum mechanical computations carried out by means of density functional theory (DFT). - Highlights: • Aged rhenium compound obtained by means of electrodeposition was studied. • The study was made by combining experimental and DFT-computational information. • The aged electrodeposited material is consistent with the H(ReO{sub 4})H{sub 2}O compound.

  13. Synthesis, Structures and Properties of Cobalt Thiocyanate Coordination Compounds with 4-(hydroxymethylpyridine as Co-ligand

    Directory of Open Access Journals (Sweden)

    Stefan Suckert

    2016-04-01

    Full Text Available Reaction of Co(NCS2 with 4-(hydroxymethylpyridine (hmpy leads to the formation of six new coordination compounds with the composition [Co(NCS2(hmpy4] (1, [Co(NCS2(hmpy4] × H2O (1-H2O, [Co(NCS2(hmpy2(EtOH2] (2, [Co(NCS2(hmpy2(H2O2] (3, [Co(NCS2(hmpy2]n∙4 H2O (4 and [Co(NCS2(hmpy2]n (5. They were characterized by single crystal and powder X-ray diffraction experiments, thermal and elemental analysis, IR and magnetic measurements. Compound 1 and 1-H2O form discrete complexes, in which the Co(II cations are octahedrally coordinated by two terminal thiocyanato anions and four 4-(hydroxymethylpyridine ligands. Discrete complexes were also observed for compounds 2 and 3 where two of the hmpy ligands were substituted by solvent, either water (3 or ethanol (2. In contrast, in compounds 4 and 5, the Co(II cations are linked into chains by bridging 4-(hydroxymethylpyridine ligands. The phase purity was checked with X-ray powder diffraction. Thermogravimetric measurements showed that compound 3 transforms into 5 upon heating, whereas the back transformation occurs upon resolvation. Magnetic measurements did not show any magnetic exchange via the hmpy ligand for compound 5.

  14. Quantum Chemical and Experimental Studies on the Mechanism of Alkylation of β-Dicarbonyl Compounds. The Synthesis of Five and Six Membered Heterocyclic Spiro Derivatives

    Directory of Open Access Journals (Sweden)

    Ali Hüseyinli

    2004-11-01

    Full Text Available The alkylation of β-dicarbonyl compounds in a K2CO3/DMSO system wasfound to afford O- and C-alkylated derivatives, depending on the type of the β-dicarbonylcompound involved. The alkyl derivatives obtained were used in the synthesis of some newspiro barbituric acid derivatives. Quantum chemical calculations were carried out toelucidate the reaction mechanisms for some typical synthesis.

  15. SYNTHESIS OF 3,4-DIMETHOXY ISOAMYL CINNAMIC AS THE SUNSCREEN COMPOUND FROM CLOVE OIL AND FUSEL OIL

    Directory of Open Access Journals (Sweden)

    Tutik Dwi Wahyuningsih

    2010-06-01

    Full Text Available Synthesis of sunscreen compound 3,4-dimethoxy isoamyl cinnamic from clove oil and fusel oil has been done. The majoring component of clove oil that is eugenol has been isolated, followed with several chemical processes i.e. isomerization into isoeugenol, oxidation of the product to change into vanillin, then modification vanillin into veratraldehyde. From the fusel oil, we isolate isoamyl alcohol and modified by acetylation into isoamyl acetic. The final product could be produce by Claissen's condensation of isoamyl acetic and veratraldehyde to give 3,4-dimethoxy isoamyl cinnamic. All of the processes are followed with structure characterization using GC, IR, GC-MS and 1H-NMR spectroscopy. The result shown that compound has 46.98% purity and potent as the UV-B sunscreen's type (lmax = 313 nm. In-vitro sunscreen's activity of the compound was tested by UV-Vis spectrophotometry and resulting a maximum Sun Protection Factor value (SPFin-vitro at low concentration, 10.25 mg/mL.   Keywords: UV absorber, sunscreen, clove oil, cinnamic esther.

  16. Reduction of nitrogen compounds in oceanic basement and its implications for HCN formation and abiotic organic synthesis.

    Science.gov (United States)

    Holm, Nils G; Neubeck, Anna

    2009-10-22

    Hydrogen cyanide is an excellent organic reagent and is central to most of the reaction pathways leading to abiotic formation of simple organic compounds containing nitrogen, such as amino acids, purines and pyrimidines. Reduced carbon and nitrogen precursor compounds for the synthesis of HCN may be formed under off-axis hydrothermal conditions in oceanic lithosphere in the presence of native Fe and Ni and are adsorbed on authigenic layer silicates and zeolites. The native metals as well as the molecular hydrogen reducing CO2 to CO/CH4 and NO3-/NO2- to NH3/NH4+ are a result of serpentinization of mafic rocks. Oceanic plates are conveyor belts of reduced carbon and nitrogen compounds from the off-axis hydrothermal environments to the subduction zones, where compaction, dehydration, desiccation and diagenetic reactions affect the organic precursors. CO/CH4 and NH3/NH4+ in fluids distilled out of layer silicates and zeolites in the subducting plate at an early stage of subduction will react upon heating and form HCN, which is then available for further organic reactions to, for instance, carbohydrates, nucleosides or even nucleotides, under alkaline conditions in hydrated mantle rocks of the overriding plate. Convergent margins in the initial phase of subduction must, therefore, be considered the most potent sites for prebiotic reactions on Earth. This means that origin of life processes are, perhaps, only possible on planets where some kind of plate tectonics occur.

  17. Telluro amino acids-synthesis, characterization and properties of a new and potentially useful class of compounds

    International Nuclear Information System (INIS)

    Knapp, F.F. Jr.; Ambrose, K.R.; Callahan, A.P.

    1978-01-01

    The Te-123m nuclide emits 159 keV photons suggesting that agents labeled with this nuclide would be attractive candidates for tissue imaging. Amino acids labeled with Te-123m are of particular interest since some of these compounds would be isosteric with the sulfur analogs and might behave similarly in vivo. Such agents could possibly be useful for pancreatic imaging and for other biomedical applications. The goal of this investigation was to develop a general chemical method for the preparation of telluro amino acids. Attempts by other workers to prepare such compounds by microbiological methods have been unsuccessful. Since telluro amino acids were unknown prior to our studies we attempted the synthesis of a representative member of this class of compounds by several routes. Two general approaches were considered which involved either the introduction of an (organo telluro) reagent into a substrate that contained the protected -CH(NH 2 )COOH moiety or introduction of the reagent into a substrate that could subsequently be converted to the α-amino acid after the coupling step

  18. Reduction of nitrogen compounds in oceanic basement and its implications for HCN formation and abiotic organic synthesis

    Directory of Open Access Journals (Sweden)

    Neubeck Anna

    2009-10-01

    Full Text Available Abstract Hydrogen cyanide is an excellent organic reagent and is central to most of the reaction pathways leading to abiotic formation of simple organic compounds containing nitrogen, such as amino acids, purines and pyrimidines. Reduced carbon and nitrogen precursor compounds for the synthesis of HCN may be formed under off-axis hydrothermal conditions in oceanic lithosphere in the presence of native Fe and Ni and are adsorbed on authigenic layer silicates and zeolites. The native metals as well as the molecular hydrogen reducing CO2 to CO/CH4 and NO3-/NO2- to NH3/NH4+ are a result of serpentinization of mafic rocks. Oceanic plates are conveyor belts of reduced carbon and nitrogen compounds from the off-axis hydrothermal environments to the subduction zones, where compaction, dehydration, desiccation and diagenetic reactions affect the organic precursors. CO/CH4 and NH3/NH4+ in fluids distilled out of layer silicates and zeolites in the subducting plate at an early stage of subduction will react upon heating and form HCN, which is then available for further organic reactions to, for instance, carbohydrates, nucleosides or even nucleotides, under alkaline conditions in hydrated mantle rocks of the overriding plate. Convergent margins in the initial phase of subduction must, therefore, be considered the most potent sites for prebiotic reactions on Earth. This means that origin of life processes are, perhaps, only possible on planets where some kind of plate tectonics occur.

  19. Synthesis, biological evaluation and SAR analysis of novel poly-heterocyclic compounds containing pyridylpyrazole group.

    Science.gov (United States)

    Wang, Bao-Lei; Zhu, Hong-Wei; Li, Zheng-Ming; Wang, Li-Zhong; Zhang, Xiao; Xiong, Li-Xia; Song, Hai-Bin

    2018-03-01

    In recent years, pyridylpyrazole derivatives, such as pyridylpyrazole-containing anthranilic diamide have attracted much attention by virtue of their useful insecticidal properties and unique action mode. Moreover, some pyridylpyrazole-containing compounds have also been found to possess significant fungicidal activities. With the aim of discovering new bioactive agrochemicals for crop protection, a series of poly-heterocyclic compounds containing pyridylpyrazole and aziridine, or β-lactam, or thiazolinone moieties were synthesized. A series of pyridylpyrazole-containing poly-heterocyclic compounds were obtained, and confirmed through IR, 1 H NMR, 13 C NMR, HRMS and elemental analysis. The crystalline structure of 4-(3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl)-3-chloro-1-mesitylazetidin-2-one (compound 13f) was determined to further illustrate a trans- configuration of the β-lactam motif. In addition, bioassays showed that most of these new compounds exhibited modest insecticidal activity towards Mythimna separate Walker at 200 µg mL -1 . Some of the compounds displayed excellent fungicidal activity towards some plant fungi, including Cercospora arachidicola (13j: EC 50 = 14.5 µg mL -1 ), Physalospora piricola (12d and 13d: EC 50 = 10.5 and 9.70 µg mL -1 ), Alternaria solani Sorauer (13j: EC 50 = 7.29 µg mL -1 ), Puccinia sorghi Schw. (13d: control efficacy 99.0 ± 2.1% at 200 µg mL -1 ) and Erysiphe graminis (14d: control efficacy 95.0 ± 1.4% at 200 µg mL -1 ). Compounds 12b-12e, 13a, 13d, 13f, 13j, 13 k and 14d could be considered potential fungicidal lead compounds to do further structural optimization. The structure-activity relationship analysis in this study brings some new understanding to the biological activities of N-pyridylpyrazole-containing compounds, and provides important information for the research and development of novel agricultural fungicides with poly-heterocyclic structures. © 2017 Society of Chemical Industry. © 2017 Society

  20. Synthesis, pharmacological activity evaluation and molecular modeling of new polynuclear heterocyclic compounds containing benzimidazole derivatives.

    Science.gov (United States)

    Bassyouni, Fatma A; Saleh, Tamer S; ElHefnawi, Mahmoud M; Abd El-Moez, Sherein I; El-Senousy, Waled M; Abdel-Rehim, Mohamed E

    2012-12-01

    Novel heterocyclic compounds containing benzimidazole derivatives were synthesized from 2-(1H-benzimidazol-2-yl) acetonitrile (1) and arylhydrazononitrile derivative 2 was obtained via coupling of 1 with 4-methyl phenyldiazonium salt, which was then reacted with hydroxylamine hydrochloride to give amidooxime derivative 3. This product was cyclized into the corresponding oxadiazole derivative 4 upon reflux in acetic anhydride. Compound 4 was refluxed in DMF in the presence of triethylamine to give the corresponding 5-(1H-benzimidazol-2-yl)-2-p-tolyl-2H-1,2,3-triazol-4-amine 6. Treatment of compound 6 with ethyl chloroformate afforded 2,6-dihydro-2-(4-methylphenyl)-1,2,3-triazolo[4",5"-4',5']pyrimido[1,6-a]benzimidazole-5(4H)-one (8). 1,2-bis(2-cyanomethyl-1H-benzimidazol-1-yl)ethane-1,2-dione (10) was synthesized via the condensation reaction of 2-(1H-benzimidazol-2-yl) acetonitrile (1) and diethyloxalate. The reactivity of compound 10 towards some diamine reagents was studied. The in vitro antimicrobial activity of the synthesized compounds was investigated against several pathogenic bacterial strains such as Escherichia coli O157, Salmonella typhimurium, E. coli O119, S. paratyphi, Pseudomonas aeruginosa, Staphylococcus aureus, Listeria monocytogenes and Bacillus cereus. The results of MIC revealed that compounds 12a-c showed the most effective antimicrobial activity against tested strains. On the other hand, compounds 12a, b exhibited high activity against rotavirus Wa strain while compounds 12b, c exhibited high activity against adenovirus type 7. In silico target prediction, docking and validation of the compounds 12a-c were performed. The dialkylglycine decarboxylase bacterial enzyme was predicted as a potential bacterial target receptor using pharmacophore-based correspondence with previous leads; giving the highest normalized scores and a high correlation docking score with mean inhibition concentrations. A novel binding mechanism was predicted after docking

  1. Synthesis of radiolabelled organic compounds for use as water tracers in oil reservoirs

    International Nuclear Information System (INIS)

    Eriksen, D.Oe.; Bjoernstad, V.

    1999-01-01

    Injection of water into oil containing strata to maintain field pressure and to replace oil is usually the primary choice to enhance oil-recovery. Use of tracer methods is becoming an important part of the oil companies' basis for making economical decisions. Such water tracing requires passive tracers, i.e. compounds that behave exactly like the substance studied under the conditions of interest. This implies that a water-tracer in a water-flooded oil-field must fulfil requirements like no absorption to reservoir rock, no partitioning (or distribution) with respect to the other fluids present, long time thermal stability, microbial resistance and high detectability. In addition, the tracer compound has to be environmentally acceptable and available at a reasonable cost. Among the extensive number of compounds tested according to these criteria in the laboratory we have qualified four compounds as tracers for water in oil reservoirs. For three of them we propose radiolabelling syntheses with 14 C as radioactive label to lower detection limits. The compounds are benzene 1,2- and 1,3-dicarboxylic acids and benzene 1,3,5-tricarboxylic acid. (author)

  2. Synthesis, SAR and pharmacological characterization of novel anthraquinone cation compounds as potential anticancer agents.

    Science.gov (United States)

    Zheng, Yanyan; Zhu, Li; Fan, Lulu; Zhao, Wenna; Wang, Jianlong; Hao, Xianxiao; Zhu, Yunhui; Hu, Xiufang; Yuan, Yaofeng; Shao, Jingwei; Wang, Wenfeng

    2017-01-05

    Emodin, a natural anthraquinone derivative isolated from Rheum palmatum L., has been demonstrated to exhibit good anti-cancer effect. In this study, a series of novel quaternary ammonium salts of emodin, anthraquinone and anthrone were synthesized and their anticancer activities were tested in vitro. The effects of emodin quaternary ammonium salts on cell viability, apoptosis, intracellular ROS, and mitochondrial membrane potential were investigated in A375, BGC-823, HepG2 and HELF cells. The results demonstrated that compound 4a induced morphological changes and decreased cell viability. Apoptosis triggered by compound 4a was visualized using DAPI staining and Annexin V-FITC/PI staining. Compound 4a-induced apoptosis of A375 cells were showed to be associated with the dissipation of mitochondrial membrane potential (ΔΨm) as a result of the up-regulation of P53 and Caspase-3. When cancer cells were treated with emodin derivative, their ability to generate reactive oxygen species (ROS) rose significantly and the mitochondrial membrane potential decreased. Additionally, confocal microscopy assay confirmed that compound 4a was primarily located in the mitochondria of A375 cells. These results suggested that compound 4a has the potential for use in cancer therapy. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

  3. Synthesis of new 4-methyl-2-(4-pyridyl)-1,2,3,4-tetrahydroquinolines as potent antifungal compounds

    Energy Technology Data Exchange (ETDEWEB)

    Mendez, Leonor Y. Vargas [Universidad Santo Tomas, Bucaramanga (Colombia). Grupo de Investigaciones Ambientales; Zacchino, Susana A. [Universidad Nacional del Rosario, (Argentina). Lab. de Farmacognosia; Kouznetsov, Vladimir V. [Universidad Industrial de Santander, Bucaramanga (Colombia). Lab. de Quimica Organica y Biomolecular

    2010-07-01

    Synthesis, spectral characterization and biological results of new series of 2-(4-pyridyl)- 1,2,3,4-tetrahydroquinolines and their closer precursors, -N-aryl-N-[1-(4-pyridyl)but-3-enyl] amines are reported. It was found that both g-pyridyl substituted precursors and final products, tetrahydroquinolines, showed very good antifungal activities against Aspergillus fumigatus, Aspergillus flavus, Aspergillus niger, Microsporum gypseun, Trichophyton rubrum and Trichophyton mentagrophytes. (author)

  4. Understanding climate change adaptation and adaptive capacity: synthesis report

    Energy Technology Data Exchange (ETDEWEB)

    Patino, L. [Policy Research Initiative, Government of Canada, Ottawa, ON (Canada)

    2010-09-15

    In 2007, the Natural Resources Canada (NRCan) Climate Change Impacts and Adaptation Division (CCIAD) offered its support to research projects that were involved in understanding and improving adaptation and adaptive capacity and contributed to climate change decision-making and policy development in Canada. 20 research projects were commissioned by the CCIAD. With the collaboration of NRCan, the principal findings raised by the commissioned projects were synthesized by the Policy Research Initiative (PRI). Common themes and main messages are introduced in this synthesis report, and policy and program aspects that promote adaptive capacity to climate change in Canada are identified. Common themes and important messages emerging from the research projects, as well as the processes and barriers to adaptation and adaptive capacity identified in the commissioned projects, were discussed during a workshop held in Ottawa in 2009. Five main themes and four common barriers to adaptation were found. 25 refs.

  5. The Synthesis of 58co-Naphthenate Complex Compound for Evaluation of Oil well Production Capacity

    International Nuclear Information System (INIS)

    Duyeh Setiawan; Marlina

    2009-01-01

    The nuclear technique using radioisotope as a tracer in oil industry has assisted to solve the degradation of oil production. Usually, the degradation of oil production in well caused by the formation changing of hydrostatic pressure of the oil layer in the well. This problem could be evaluated by injection of water to oil well, for recovering this hydrostatic pressure. The watcher of the water injection success is done by the way of nuclear technique radioactive tracer systems, applied radioisotope having short half life and low gamma radiation energy. Radioisotope cobalt-58 in the complex form with naphthenate ( 58 Co-naphthenate ) often used as the tracer in the water injection technique. The tracer 58 Co-naphthenate relatively easy to synthesis and radioisotope 58 Co has half life 70.86 days and gamma energy was 0.811 Me v. The synthesis method of 58 Co-naphthenate route has been carried out by mixing of 58 CoCl 2 radioisotope solution with sodium naphthenate (C 5 H 9 CH 2 COONa) in the optimum condition. The results shows that the optimal mole ratio of cobalt-58 and naphthenate was 1:6 which produced 87,38 % of ren dement and 82,5 % of efficiency labelling. This synthesis technique was made permanent procedure for making of 58 Co-naphthenate complex as radioactive tracer in service of radioisotope production especially industrial area. (author)

  6. Microwave assistant synthesis, crystal structure and biological activity of a 1,2,4-triazole compound

    International Nuclear Information System (INIS)

    Ke, W.; Sun, N.B.

    2013-01-01

    The title compound (C/sub 17/H/sub 14/F/sub 2/N/sub 4/SO) were synthesized and recrystallized from CH/sub 3/CN. The compound was characterized by 1h-nmr, ftir, ms, hrms and x-ray diffraction. the compound crystallized in the monoclinic space group c2/c with a = 27.532(6), b 8.9596(18), c 14.609(3) alpha = 90, beta = 112.59(3), lambda =90 degree, gamma = 3327.1(12) alpha 3, z = 8 and r = 0.0327 for 2596 observed reflections with 1 > 2 (i). x-ray analysis reveals that not only intermolecular N-H-N interactions, but also C-H Pie stacking interactions exist in the adjacent molecules. The biological activities results showed that it exhibited significant herbicidal activity towards brassica napus. (author)

  7. Synthesis, Characterization, and Antimicrobial Activities of Coordination Compounds of Aspartic Acid

    Directory of Open Access Journals (Sweden)

    T. O. Aiyelabola

    2016-01-01

    Full Text Available Coordination compounds of aspartic acid were synthesized in basic and acidic media, with metal ligand M : L stoichiometric ratio 1 : 2. The complexes were characterized using infrared, electronic and magnetic susceptibility measurements, and mass spectrometry. Antimicrobial activity of the compounds was determined against three Gram-positive and three Gram-negative bacteria and one fungus. The results obtained indicated that the availability of donor atoms used for coordination was a function of the pH of the solution in which the reaction was carried out. This resulted in varying geometrical structures for the complexes. The compounds exhibited a broad spectrum of activity and in some cases better activity than the standard.

  8. Chiral halogenated Schiff base compounds: green synthesis, anticancer activity and DNA-binding study

    Science.gov (United States)

    Ariyaeifar, Mahnaz; Amiri Rudbari, Hadi; Sahihi, Mehdi; Kazemi, Zahra; Kajani, Abolghasem Abbasi; Zali-Boeini, Hassan; Kordestani, Nazanin; Bruno, Giuseppe; Gharaghani, Sajjad

    2018-06-01

    Eight enantiomerically pure halogenated Schiff base compounds were synthesized by reaction of halogenated salicylaldehydes with 3-Amino-1,2-propanediol (R or S) in water as green solvent at ambient temperature. All compounds were characterized by elemental analyses, NMR (1H and 13C), circular dichroism (CD) and FT-IR spectroscopy. FS-DNA binding studies of these compounds carried out by fluorescence quenching and UV-vis spectroscopy. The obtained results revealed that the ligands bind to DNA as: (Rsbnd ClBr) > (Rsbnd Cl2) > (Rsbnd Br2) > (Rsbnd I2) and (Ssbnd ClBr) > (Ssbnd Cl2) > (Ssbnd Br2) > (Ssbnd I2), indicating the effect of halogen on binding constant. In addition, DNA-binding constant of the Ssbnd and R-enantiomers are different from each other. The ligands can form halogen bonds with DNA that were confirmed by molecular docking. This method was also measured the bond distances and bond angles. The study of obtained data can have concluded that binding affinity of the ligands to DNA depends on strength of halogen bonds. The potential anticancer activity of ligands were also evaluated on MCF-7 and HeLa cancer cell lines by using MTT assay. The results showed that the anticancer activity and FS-DNA interaction is significantly dependent on the stereoisomers of Schiff base compounds as R-enantiomers displayed significantly higher activity than S-enantiomers. The molecular docking was also used to illustrate the specific DNA-binding of synthesized compounds and groove binding mode of DNA interaction was proposed for them. In addition, molecular docking results indicated that there are three types of bonds (Hsbnd and X-bond and hX-bond) between synthesized compounds and base pairs of DNA.

  9. Electrochemical reactions at sacrificial electrodes : Part VI. Synthesis of cadmium alkoxides and their coordination compounds

    International Nuclear Information System (INIS)

    Banait, J.S.; Singh, Baljit

    1991-01-01

    Cadmium alkoxides [Cd(OR) 2 ; R=methyl, ethyl, n-propyl, n-butyl and n-amyl], have been synthesised by the electrolysis of alcohols at a cadmium anode. These alkoxides do not form coordination compounds when refluxed with the ligands like 2,2'-bipyridine, 1,10-phenanthroline, dimethylsulphoxide and acetone. However, coordination compounds with the general formula, Cd(OR) 2 .L, have been prepared when the solutions of these ligands in alcohols are electrolysed at a cadmium anode. The products have been characterised by elemental analyses and IR data. Current efficiencies of all these systems are quite high. (author). 21 refs., 2 tabs

  10. Synthesis, crystal structure, and photoluminescence of a lithium isothiocyanate compound with 18-crown-6

    Energy Technology Data Exchange (ETDEWEB)

    Fu, Shan; Fu, Bo; Zhao, Zhen; Liu, Xi [Chongqing Normal Univ. (China). Chongqing Key Lab. of Inorganic Functional Materials

    2018-04-01

    The investigation of the supramolecular interactions between the lithium isothiocyanate salt and 18-crown-6 (18C-6) in commercial tetrahydrofuran leads to the formation of a lithium compound, LiNCS(H{sub 2}O)(18C-6) (1). In the crystal structure the asymmetric unit contains two similar LiNCS(H{sub 2}O)(18C-6) molecules. Solid-state photoluminescence experiments have shown that compound 1 emits violet luminescence, and its possible emission mechanism was investigated in detail based on theoretical calculations.

  11. Synthesis of some glycoside analogs and related compounds from 9-amino-6-(methylthio)-9H-purine.

    Science.gov (United States)

    Temple, C; Kussner, C L; Montgomery, J A

    1975-12-01

    Additional information on the anticancer activity of 9-amino-9H-purine-6(1H)-thione and its derivatives was sought by the synthesis of some 9-(substituted amino)-6-(methylthio)-9H-purines in which the 9-substituent contained functional groups capable of either reversible or irreversible binding with an enzymatic site. Condensation of 9-amino-6-(methylthio)-9H-purine (1) with some carbonyl compounds followed by hydride reduction of the azomethine linkage in the intermediates leads to the 2-pyrrolylmethyl (8), 2,3,4-trihydroxybutyl (10), and the 1,5-dihydroxy-2- and 3-pentyl (11 and 12) compounds. A 4-hydroxybutyl derivative (13) was obtained by alkylation of 18, the 9-acetyl derivative of 1, with 4-chlorobutyl acetate followed by saponification. The cyclization of 13 and 11 with a sulfonyl chloride gave the 9-pyrrolidin-1-yl (27) and the 9-[2-(tosyloxymethyl)pyrrolidin-1-yl] (28), respectively. Acylation of 1 with ethyl L-2-pyrrolidine-5-carboxylate and ethyl 1-methyl-5-pyrrolidone-3-carboxylate, respectively, in Me2SO containing NaH gave the corresponding amides 15 and 17. Alkylation of 18 with 1-bromo-2-chloroethane and epichlorohydrin gave the N-(2-chloroethyl) and N-(1,2-epoxy-3-propyl) derivatives 19 and 20. The chloro group of the chlorobutyl derivative of 18 was displaced with KSCN and NaN3, respectively, to give the thiocyanate and azido derivatives 23 and 24. Hydrogenation of the latter gave the amine (25), which was acylated with ethyl chloroformate to give the (ethoxycarbonyl)amino compound 26. None of these compounds showed activity against L1210 leukemia cells implanted ip in mice on a single-dose schedule, suggesting that the activity observed in the simpler 9-aminopurines resulted from cleavage of the hydrazino linkage to give pH-purine-6(1H)-thione.

  12. Synthesis of phthalocyanines-ALA conjugates: water-soluble compounds with low aggregation.

    Science.gov (United States)

    de Oliveira, Kleber T; de Assis, Francisco F; Ribeiro, Anderson O; Neri, Claudio R; Fernandes, Adjaci U; Baptista, Mauricio S; Lopes, Norberto P; Serra, Osvaldo A; Iamamoto, Yassuko

    2009-10-16

    Syntheses of two water-soluble phthalocyanines (Pc) containing 5-aminolevulinic acid (ALA) linked to the core structure are described. These compounds were prepared by using original functionalizations, and they present remarkable structural and photophysical features, indicating that they could be applied to photodynamic therapy (PDT).

  13. Synthesis, characterization and crystal structures of new organic compounds containing cyanoacrylic acid

    Czech Academy of Sciences Publication Activity Database

    Khalaji, A.D.; Mogheiseh, M.; Eigner, Václav; Dušek, Michal; Chow, T.J.; Maddahi, E.

    2015-01-01

    Roč. 1098, Oct (2015), s. 318-323 ISSN 0022-2860 R&D Projects: GA ČR(CZ) GA14-03276S Institutional support: RVO:68378271 Keywords : organic compounds * cyanoacrylic acid * single-crystal structure analysis * dye-sensitized solar cells * density functional theory Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.780, year: 2015

  14. Synthesis, crystal structure and biological activity of a novel 1,2,3-thidiazole compound

    International Nuclear Information System (INIS)

    Ke, W.

    2013-01-01

    A new 1,2,3-thiadiazole compound was synthesized and characterized by 1H NMR, MS and HRMS. The crystal structure of the title compound (C/sub 12/H/sub 11/ClN/sub 2/O/sub 4/S/sub 2/, Mr = 346.80) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P-1 with a = 8.4425(17) A, b = 8.9801(18) A, c = 9.859(2) A, alpha = 84.36(3) degree, beta = 86.71(3)degree, lambda = 83.25(3) degree, V = 737.9(3)A3, Z 2, F(000) = 356, Dc = 1.561 g/cm/sup 3/, mu = 0.557 mm-1, the final R1 0.0380 and wR2 = 0.0982 for 2160 observed reflections with I > 2sigma(I). A total of 12585 reflections were collected, of which 2601 were independent (Rint 0.0364). The herbicidal activity of title compound was determined, the results showed the title compound displayed excellent herbicidal activity against Brassica campestris. (author)

  15. Synthesis, Antiproliferative, and Multidrug Resistance Reversal Activities of Heterocyclic α,β-Unsaturated Carbonyl Compounds.

    Science.gov (United States)

    Sun, Ju-Feng; Hou, Gui-Ge; Zhao, Feng; Cong, Wei; Li, Hong-Juan; Liu, Wen-Shuai; Wang, Chunhua

    2016-10-01

    A series of heterocyclic α,β-unsaturated carbonyl compounds (1a-1d, 2a-2d, 3a-3d, 4a-3d, and 5a-5d) with 1,5-diaryl-3-oxo-1,4-pentadienyl pharmacophore were synthesized for the development of anticancer and multidrug resistance reverting agents. The antiproliferative activities were tested against nine human cancer cell lines. Approximately 73% of the IC50 values were below 5 μm, while 35% of these figures were submicromolar, and compounds 3a-3d with 4-trifluoro methyl in the arylidene benzene rings were the most potent, since their IC50 values are between 0.06 and 3.09 μm against all cancer cell lines employed. Meanwhile, their multidrug resistance reversal properties and cellular uptake were further examined. The data displayed that all of these compounds could reverse multidrug resistance, particularly, compounds 3a and 4a demonstrated both potent multidrug resistance reverting properties and strong antiproliferative activities, which can be taken as leading molecules for further research of dual effect agents in tumor chemotherapy. © 2016 John Wiley & Sons A/S.

  16. 78 FR 72897 - Draft Guidance for Industry on Interim Product Reporting for Human Drug Compounding Outsourcing...

    Science.gov (United States)

    2013-12-04

    ... reporting of product information by registered outsourcing facilities under section 503B of the FD&C Act... collection techniques, when appropriate, and other forms of information technology. Under the draft guidance... report should include the following information for all drugs compounded by the outsourcing facility...

  17. SYNTHESIS AND ANTITUMOR ACTIVITY OF COPPER, NICKEL AND COBALT COORDINATION COMPOUNDS WITH 1-(2-HYDROXYPHENYL)ETHANONE N(4)-ALLYL-3-THIOSEMICARBAZONE

    OpenAIRE

    Vasilii GRAUR; Serghei SAVCIN; Victor TSAPKOV; Aurelian GULEA

    2015-01-01

    The paper presents the synthesis of the ligand 1-(2-hydroxyphenyl)ethanone N(4)-allyl-3-thiosemicarbazone (H2L) and six coordination compounds of copper, nickel and cobalt with this ligand. The structure of thiosemicarbazone H2L was studied using 1H and 13С NMR spectroscopy. The synthesized coordination compounds were studied using elemental analysis, gravimetric analysis of water content, molar conductivity, and magnetochemistry. For H2L the antitumor activity towards human leukemia HL-60 ce...

  18. Carbon-14 studies on the role of oxygen-containing compounds in the reaction mechanism of the Fischer-Tropsch synthesis

    International Nuclear Information System (INIS)

    Aksoy, H.A.

    1975-01-01

    In this work the behaviour of organic oxygen compounds has been studied in the reaction mechanism of Fischer-Tropsch synthesis using the tracer method. As an oxygen carrying tracer materials i-propanole (2- 14 C), acetone (2- 14 C) and ethanole (1- 14 C) have been added to the synthesis gas. The synthesis experiments are performed under standard conditions: The synthesis products are separated in suitable fractions and then studied by gas- and radio-gaschromatography. As a result the C-number distributions of the synthesis products are obtained as a function of concentration (weight %, mol %) and radioactivity (activity %). On this basis the relative molar activities have been calculated for certain compounds and fractions. Adding i-propanole- 14 C a great part of the tracer compound is transformed to acetone- 14 C, however adding acetone- 14 C to the synthesis gas a large amount of i-propanole- 14 C is produced. The main hydrocarbon reaction product from i-propanol and acetone is propane. Besides propane also propene is produced with equal molar radioactivity. This indicates that the formation of adsorbed oxygen compounds, as they may also be produced by chemisorption from alcohols or carbonyle compounds, is the first step in the formation of hydrocarbons by hydrogenolytic separation of oxygen. Comparing the results obtained with ethanole- 14 C and i-propanole- 14 C as a tacer material, for ethane an essentially lower molar activity is obtained when adding ethanole- 14 C compared with propane when adding i-propanole- 14 C. This corresponds with a particularly low desorption probability at the C 2 -hydrocarbon level. (orig./HK) [de

  19. Polycyclic Aromatic Compounds as Anticancer Agents: Synthesis and Biological Evaluation of Methoxy Dibenzofluorene Derivatives

    Directory of Open Access Journals (Sweden)

    Bimal Krishna Banik

    2014-08-01

    Full Text Available Synthesis of a new methoxy dibenzofluorene through alkylation, cyclodehydration and aromatization in a one-pot operation is achieved for the first time. Using this hydrocarbon, a few derivatives are prepared through aromatic nitration, catalytic hydrogenation, coupling reaction with a side chain and reduction. The benzylic position of this hydrocarbon with the side chain is oxidized and reduced. Some of these derivatives have demonstrated excellent antitumor activities in vitro. This study confirms antitumor activity depends on the structures of the molecules.

  20. Synthesis, Characterization and Biological Studies of New Phenyltin(IV) Dithiocarbamate Compounds

    International Nuclear Information System (INIS)

    Amirah Faizah Abdul Muthalib; Ibrahim Baba; Nazlina Ibrahim

    2015-01-01

    Nine chlorophenyl tin(IV) dithiocarbamate compounds of general formula PhSnCl[S 2 CNR ' R '' ] 2 (R ' = CH 3 , C 2 H 5 , C 7 H 7 and R ' = C 2 H 5 , C 6 H 11 , iC 3 H 7 , C 7 H 7 ) were prepared in one pot reaction of various secondary amine, carbon disulphide and phenyltin(1V) trichloride with the ratio of 2:2:1. These compounds have been characterized by elemental analysis, infrared spectroscopy, ultraviolet spectroscopy, 1 H, 13 C NMR spectroscopy as well as single crystal X-ray crystallography. Data from X-ray crystallography showed that (C 6 H 5 )SnCl[S 2 CN(C 2 H 5 )(iC 3 H 7 )] 2 is six coordinated bonded with two chelating dithiocarbamate ligands in bidentate fashion, methyl-C and chloride atom thus form a distorted octahedral geometry. Five selected compounds, (C 6 H 5 )SnCl[S 2 CN(CH 3 )(C 2 H 5 )] 2 , (C 6 H 5 )SnCl[S 2 CN(CH 3 )(C 6 H 11 )] 2 , (C 6 H 5 )SnCl[S 2 CN(C 2 H 5 )(iC 3 H 7 )] 2 , (C 6 H 5 )SnCl[S 2 CN(C 7 H 7 )(iC 3 H 7 )] 2 and (C 6 H 5 )SnCl[S 2 CN(C 7 H 7 ) 2 ] 2 were screened for anticancer activity against Chang liver cells. These compounds were demonstrated no cytotoxic effect for all concentrations under the condition of the study with no IC 50 value. The minimum inhibitory concentration (MIC) and maximum bactericidal concentration (MBC) determinations for these five compounds used Escherichia coli and Pseudomonas aeruginosa as Gram negative bacteria together with Staphylococcus aureus and Staphylococcus epidermis as Gram positive bacteria. Compound (C 6 H 5 )SnCl[S 2 CN(CH 3 )(C 2 H 5 )] 2 was the most active compared to the other compounds by having the lowest MIC values of 1.25 mg/ mL and MBC value of 5.0 mg/ mL against E. Coli and S. Aureus bacteria. Compounds (C 6 H 5 )SnCl[S 2 CN(C 7 H 7 )(iC 3 H 7 )] 2 and (C 6 H 5 )SnCl[S 2 CN(C 7 H 7 ) 2 ] 2 that having a benzyl group showed their MIC and MBC values slightly higher compared to the other compounds againts certain bacteria indicating their low

  1. Phase relations in the pseudobinary BaO-PbO2 system. Part 1: synthesis and characterization of compounds

    International Nuclear Information System (INIS)

    Rama Rao, G.V.; Suganthi, S.; Asokamani, R.; Azad, A.M.; Sreedharan, O.M.

    1993-01-01

    The compounds BaPbO 3 and Ba 2 PbO 4 are among the important basic materials for the copper less ceramic superconductors. Hence it was necessary to identify the best process of synthesis with optimum process temperature. For this purpose preparation of BaPbO 3 and Ba 2 PbO 4 was carried out by solid-state, solid-solution and sol-gel processes. Products so synthesised were characterized by x-ray diffraction, infra red spectroscopy and thermal analyses. Particle size measurements were carried out by He-Ne laser light scattering technique for a possible correlation with sintering behaviour. Merits and limitations of the different processes were compared. The reaction process was studied by thermal analysis (TG and DTA) and infra red spectroscopy. The solid solution process has reduced the formation temperature by a margin of 200-300 deg to a value of 773K compared to other methods. The sol-gel processing approach did not favour the formation of Ba 2 PbO 4 . While solid solution route appears to be the best for synthesis of pure B 2 PbO 4 , sol-gel processes are most appropriate for synthesizing BaPbO 3 with very fine particle size distribution. (author). 24 refs., 3 figs., 4 tabs

  2. Synthesis of hydantoin and thiohydantoin related compounds from benzil and study of their cytotoxicity

    Directory of Open Access Journals (Sweden)

    A. Kashem Liton and M. Rabiul Islam

    2006-06-01

    Full Text Available Condensation of benzil (1 with urea, monophenyl urea and diphenyl urea in the presence of absolute ethanol using 30% aqueous NaOH gave the products 1a, 1b and 1c respectively and also with thiourea, monomethyl thiourea, dimethyl thiourea and diethyl thiourea the products 2a, 2b, 2c and 2d were obtained. Methylation of the product, 2a in the presence of dimethyl formamide (DMF using K2CO3 formed 2. The compounds 1b, 1c, 2b, 2c and 2 showed highly cytotoxic activity and the compounds 1a, 2a, 2d showed relatively low cytotoxic activity against brine shrimp lethality bioassay.

  3. Synthesis and magnetic properties of heteronuclear 3d-4f compound

    International Nuclear Information System (INIS)

    Cristovao, B.; Ferenc, W.

    2007-01-01

    A novel heteronuclear 3d-4f compound having formula NdCu 3 L 3 ·13H 2 O (where H 3 L = Schiff base derived from 5-bromosalicylaldehyde and glycylglycine and L 3 = C 11 H 8 N 2 O 4 Br) was obtained. It was characterized by elemental and thermal analyses and magnetic measurements. The Cu(II)-Nd(III) compound is stable up to 323 K. During dehydration process the water molecules are lost in two stages. The magnetic susceptibility data for this complex change with temperature according to the Curie-Weiss law with Θ = -35 K. The magnetic moment values decrease from 5.00μ B at 303 K to 4.38μB at 76 K. (author)

  4. Synthesis, characterization and anti-proliferative activity of heterocyclic hypervalent organoantimony compounds.

    Science.gov (United States)

    Chen, Yi; Yu, Kun; Tan, Nian-Yuan; Qiu, Ren-Hua; Liu, Wei; Luo, Ning-Lin; Tong, Le; Au, Chak-Tong; Luo, Zi-Qiang; Yin, Shuang-Feng

    2014-05-22

    Three heterocyclic hypervalent organoantimony chlorides RN(CH2C6H4)2SbCl (2a R = t-Bu, 2b R = Cy, 2c R = Ph) and their chalcogenide derivatives [RN(CH2C6H4)2Sb]2O (3a R = t-Bu, 3b R = Cy, 3c R = Ph) were synthesized and characterized by techniques such as (1)H NMR, (13)C NMR, X-ray diffraction, and elemental analysis. It is found that the anti-proliferative activity detected over these compounds can be attributed to the coordination bond between the antimony and nitrogen atoms of these compounds. Moreover, a preliminary study on mechanistic action suggests that the inhibition effect is ascribable to cell cycle arrest and cell apoptosis. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  5. Synthesis and characterization of YBaCu2O5-δ compound

    Science.gov (United States)

    Ehsandoust, A.; Sandoghchi, M.; Mokhtari, P.; Akhavan, M.

    2018-05-01

    YBaCu2O5 compound as one of the possible microstructures of Y3Ba5Cu8O19 has been synthesized. The X-ray diffraction analysis of this compound indicates that its formation is accompanied with the formation of YBa2Cu3O7-δ. The observed superconductivity around ∼92 K supports this. So, it seems that YBa2Cu3O7-δ is responsible for the observed superconductivity in YBaCu2O5, and this phase is not an independent superconducting phase. Consequently, the overall effect of the YBaCu2O5 formation during the Y3Ba5Cu8O19 fabrication process could be a reduction in Tc.

  6. Facile synthesis of upconversion nanoparticles with high purity using lanthanide oleate compounds

    Science.gov (United States)

    Kang, Ning; Ai, Chao-Chao; Zhou, Ya-Ming; Wang, Zuo; Ren, Lei

    2018-02-01

    A novel strategy for preparing highly pure NaYF4-based upconversion nanoparticles (UCNPs) was developed using lanthanide oleate compounds [Ln(OA)3] as the precursor, denoted as the Ln-OA preparation method. Compared to the conventional solvothermal method for synthesizing UCNPs using lanthanide chloride compounds (LnCl3) as the precursor (denoted as the Ln-Cl method), the Ln-OA strategy exhibited the merits of high purity, reduced purification process and a uniform size in preparing core and core-shell UCNPs excited by a 980 or 808 nm near infrared (NIR) laser. This work sheds new insight on the preparation of UCNPs and promotes their application in biomedical fields.

  7. Stereoselective Synthesis of Tetrahydroindolizines through the Catalytic Formation of Pyridinium Ylides from Diazo Compounds.

    Science.gov (United States)

    Day, Jonathan; McKeever-Abbas, Ben; Dowden, James

    2016-05-04

    Commercially available iron(III) and copper(I) complexes catalyzed multicomponent cycloaddition reactions between diazo compounds, pyridines, and electrophilic alkenes to give alkaloid-inspired tetrahydroindolizidines in high yield with high diastereoselectivity. Hitherto, the catalytic formation of versatile pyridinium ylides from metal carbenes has been poorly developed; the broad utility demonstrated herein sets the stage for the invention of further multicomponent reactions in future. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Improving the Carprofen Solubility: Synthesis of the Zn2Al-LDH Hybrid Compound.

    Science.gov (United States)

    Capsoni, Doretta; Quinzeni, Irene; Bruni, Giovanna; Friuli, Valeria; Maggi, Lauretta; Bini, Marcella

    2018-01-01

    The development of efficient strategies for drug delivery is considerably desired. Indeed, often several issues such as the drug solubility, the control of the drug release rate, the targeted delivery of drugs, the drug bioavailability, and the minimization of secondary effects still present great obstacles. Different methodologies have been proposed, but the use of nano-hybrids compounds that combine organic and inorganic substances seems particularly promising. An interesting inorganic host is the layered double hydroxide (LDH) with a sheets structure and formula [M 2+ 1-x M 3+ x (OH) 2 ](A n- ) x/n yH 2 O (M 2+  = Zn, Mg; M 3+  = Al; A n-  = nitrates, carbonates, chlorides). The possibility to exchange these counterions with drug molecules makes these systems ideal candidates for the drug delivery. In this article, we synthesize by co-precipitation method the hybrid compound Carprofen-Zn 2 Al-LDH. Carprofen, a poorly soluble anti-inflammatory drug, could also benefit of the association with a natural antacid such as LDH, to reduce the gastric irritation after its administration. Through X-ray diffraction and Fourier-transformed infrared spectroscopy (FT-IR), we could verify the effective drug intercalation into LDH. The dissolution tests clearly demonstrate a significant improvement of the drug release rate when carprofen is in the form of hybrid compound. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  9. Facile synthesis of Cu/tetrapod-like ZnO whisker compounds with enhanced photocatalytic properties

    Science.gov (United States)

    Liu, Hong; Liu, Huarong; Fan, Ximei

    2017-09-01

    Cu/tetrapod-like ZnO whisker (T-ZnOw) compounds were successfully synthesized using N2H4 \\cdot H2O as a reducing agent by a simple reduction method without any insert gas at room temperature. The crystal phase composition and morphology of the as-prepared samples were investigated by XRD, SEM and FESEM tests. The photocatalytic property of the as-prepared samples was detected by the degradation of methyl orange (MO) aqueous solution under UV irradiation. It can be found that Cu nanoparticles (CuNPs) dispersed on the surface of T-ZnOw increased with the increasing of Cu/Zn molar ratios (Cu/Zn MRs), and an octahedral structure of CuNPs was obtained when the sample was prepared with less than and equal to 7.30% Cu/Zn MR, but tended to a spherical or nanorod structure of CuNPs densely arranged on the surface of T-ZnOw, which is prepared by Cu/Zn MRs up to 22.00%. All the compounds exhibited excellent photocatalytic activity in decomposing of MO than T-ZnOw, the photocatalytic property of the samples increased with the increasing of Cu/Zn MRs up to 7.30%, while it decreases when further increasing the Cu/Zn MRs. The Schottky barrier of the Cu/T-ZnOw compound can effectively capture photoinduced electrons from the interface and enhanced the photocatalytic property of T-ZnOw.

  10. Synthesis and Thermoelectric Properties of Ni-Doped ZrCoSb Half-Heusler Compounds

    Directory of Open Access Journals (Sweden)

    Degang Zhao

    2018-01-01

    Full Text Available The Ni-doped ZrCo1−xNixSb half-Heusler compounds were prepared by arc-melting and spark plasma sintering technology. X-ray diffraction analysis results showed that all samples were crystallized in a half-Heusler phase. Thermoelectric properties of ZrCo1−xNixSb compounds were measured from room temperature to 850 K. The electrical conductivity and the absolute value of Seebeck coefficient increased with the Ni-doping content increasing due to the Ni substitution at Co. sites. The lattice thermal conductivity of ZrCo1−xNixSb samples was depressed dramatically because of the acoustic phonon scattering and point defect scattering. The figure of merit of ZrCo1−xNixSb compounds was improved due to the decreased thermal conductivity and improved power factor. The maximum ZT value of 0.24 was achieved for ZrCo0.92Ni0.08Sb sample at 850 K.

  11. Synthesis and antiproliferative activity of novel polynuclear heterocyclic compounds derived from 2,3-diaminophenazine.

    Science.gov (United States)

    Mahran, Asma M; Ragab, Sherif Sh; Hashem, Ahmed I; Ali, Mamdouh M; Nada, Afaf A

    2015-01-27

    2,3-Diaminophenazine 1 was used as a precursor for the preparation of some novel phenazine derivatives such as imidazo[4,5-b]phenazine-2-thione 2, its methylthio 3, ethyl 1-aryl-3H-[1,2,4]triazolo[2,3-a]imidazo[4,5-b]phenazines 8a-c, ethyl (2Z)-[3-aminophenazin-2-yl)amino](phenylhydrazono)ethanoate 9, pyrazino[2,3-b]phenazine derivatives 10, 12, 15-17, [1,4]diazepino[2,3-b]phenazine derivatives 13, 14, 2,3-dibenzoylaminophenazine 18, 1H-Imidazo[4,5-b]phenazine derivatives 20, 23a-c, 24, 25 and 4-[(E)-(3-amino phenazin-2-yl)diazenyl] derivatives 27-29. All compounds were tested as inhibitors of the proliferation of human lung carcinoma and colorectal cancer cell lines through inhibition of Tyrosine Kinases. Most of compounds exert good activity against the two cancer cell lines. Five compounds (1, 2, 3, 25 and 28) were found to possess the same activity as the standard drug Cisplatin. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  12. Synthesis of novel liquid crystal compounds and their blood compatibility as anticoagulative materials

    International Nuclear Information System (INIS)

    Tu Mei; Cha Zhenhang; Feng Bohua; Zhou Changren

    2006-01-01

    The objective of this study was to synthesize new types of cholesteric liquid crystal compounds and study the anticoagulative properties of their composite membranes. Three kinds of cholesteric liquid crystal compounds were synthesized and characterized by infrared spectroscopy, differential scanning calorimetry and optical polarizing microscope. The polysiloxane, as a substrate, was blended with three liquid crystal compounds and was then used as membranes. The anticoagulative property of different polysiloxane liquid crystal composite membranes was identified by the blood compatibility tests. Three cholesteryl liquid crystals synthesized in this work contained hydrophilic soft chains and presented iridescent texture owned by cholesteric liquid crystals in the range of their liquid crystal state temperature, but only cholesteryl acryloyl oxytetraethylene glycol carbonate was in the liquid crystal state at body temperature. When liquid crystals were blended with polysiloxane to form polysiloxane/liquid crystal composite membranes, the haemocompatibility of these membranes could be improved to some extent. The blood compatibility of composite membranes whose hydrophilic property was the best was more excellent than that of other composite membranes, fewer platelets adhered and spread, and showed little distortion on the surface of materials

  13. Synthesis and Electroluminescent Property of New Orange Iridium Compounds for Flexible White Organic Light Emitting Diodes.

    Science.gov (United States)

    Lee, Ho Won; Jeong, Hyunjin; Kim, Young Kwan; Ha, Yunkyoung

    2015-10-01

    Recently, white organic light-emitting diodes (OLEDs) have aroused considerable attention because they have the potential of next-generation flexible displays and white illuminated applications. White OLED applications are particularly heading to the industry but they have still many problems both materials and manufacturing. Therefore, we proposed that the new iridium compounds of orange emitters could be demonstrated and also applied to flexible white OLEDs for verification of potential. First, we demonstrated the chemical properties of new orange iridium compounds. Secondly, conventional two kinds of white phosphorescent OLEDs were fabricated by following devices; indium-tin oxide coated glass substrate/4,4'-bis[N-(napthyl)-N-phenylamino]biphenyl/N,N'-dicarbazolyl-3,5-benzene doped with blue and new iridium compounds for orange emitting 8 wt%/1,3,5-tris[N-phenylbenzimidazole-2-yl]benzene/lithium quinolate/aluminum. In addition, we fabricated white OLEDs using these emitters to verify the potential on flexible substrate. Therefore, this work could be proposed that white light applications can be applied and could be extended to additional research on flexible applications.

  14. Climate change, global risks, challenges and decisions. Synthesis report

    International Nuclear Information System (INIS)

    Richardson, K.; Steffen, W.; Schellnhuber, H.J.

    2009-03-01

    The United Nations Framework Convention on Climate Change (UNFCCC) meeting to be held in Copenhagen in December 2009 (the 15th Conference of the Parties, COP-15) will be a critical step in developing a global response to the threat of climate change caused by human activities. The primary scientific input to those negotiations is the Fourth Assessment Report of the Intergovernmental Panel on Climate Change (IPCC), published in 2007. The IPCC report has already been instrumental in increasing both public and political awareness of the societal risks associated with unchecked emission of greenhouse gases. Since the production of the IPCC report, new knowledge has emerged that furthers understanding of the impacts of human influence on the climate and the response options and approaches that are available to tackle this complex issue. To bring this new knowledge together, the International Alliance of Research Universities organised an international scientific congress on climate change, Climate Change: Global Risks, Challenges and Decisions, which was held in Copenhagen from 10-12 March 2009. Participants came from nearly 80 different countries and contributed with more than 1400 scientific presentations. Abstracts for all of the scientific presentations made can be found at www.iop.org/EJ/volume/1755-1315/6, and a transcript of the closing plenary session can be found at environmentalresearchweb.org/cws/article/opinion/39126. This synthesis report presents an up-to-date overview of a broad range of research relevant to climate change - including fundamental climate science, the impacts of a changing climate on society and environment, and the many tools and approaches available to deal effectively with the challenge of climate change. (LN)

  15. Synthesis, structure and photochromic properties of a novel 1,6-hexanediamine trimolybdate supramolecular compound

    International Nuclear Information System (INIS)

    Sun Dehui; Zhang Hongjie; Zhang Jilin; Zheng Guoli; Yu Jiangbo; Gao Shuyan

    2007-01-01

    A novel supramolecular compound 1,6-hexanediamine trimolybdate ((C 6 H 18 N 2 )[Mo 3 O 10 ], denoted as HDAMo) has been synthesized by a hydrothermal method and its structure has been characterized by elemental analyses, Fourier transform infrared (FT-IR) spectra, single-crystal X-ray diffraction (XRD) technique. This single crystal compound consists of protonated 1,6-hexanediamine (HDA) cations and polyoxometalate [Mo 3 O 10 ] 2- anions. Its crystal structure belongs to monoclinic system (space group P2 1 /n) with a=7.7508(14), b=11.467(2), c=16.167(3) A, β=92.689(3) o , V=1435.3(5) A 3 , Z=4 and D calc =2.619 g cm -3 . The final statistics based on F 2 are GOF=0.980, R 1 =0.0261 and wR 2 =0.0506 for I>2σ(I). XRD analysis revealed that in the crystal structure of HDAMo, novel infinite [Mo 3 O 10 ] 2- chains parallel to a axis are made up of distorted MoO 6 octahedra connected by corners and edges. The protonated HDA cations occupy channels formed by [Mo 3 O 10 ] 2- chains and exhibit strong hydrogen bond interactions to terminal and bridging oxo groups of the chains. The [Mo 3 O 10 ] 2- chains linked through protonated HAD cations formed a one-dimensional network. The HDAMo compound shows novel photochromic properties, i.e., its color changes from white to reddish brown gradually under UV irradiation. XRD, FT-IR, ESR spectra and XPS are used to investigate the photochromic behavior of the compound. - Graphical abstract: Crystal structure of 1,6-hexanediamine trimolybdate (C 6 H 18 N 2 )[Mo 3 O 10 ] along c-axis. It consists of protonated 1,6-hexanediamine (HDA) and novel infinite chains [Mo 3 O 10 ] 2- . Infinite chains [Mo 3 O 10 ] 2- are made up of distorted MoO 6 octahedron connected by edges and corners and are linked through protonated HDA cations into a one-dimensional network. What is more, the compound displays photochromic properties and may be applied to the field of photosensitive materials

  16. Synthesis, Crystal and Electronic Structure of the Quaternary Magnetic EuTAl4Si2 (T = Rh and Ir) Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Maurya, Arvind [Tata Institute of Fundamental Research; Thamizhavel, Arumugam [Tata Institute of Fundamental Research; Provino, Alessia [University of Genova; Pani, Marcella [University of Genova; Manfrinetti, Pietro [University of Genova; Paudyal, Durga [Ames Laboratory; Dhar, Sudesh Kumar [Tata Institute of Fundamental Research

    2014-01-22

    Single crystals of the quaternary europium compounds EuRhAl4Si2 and EuIrAl4Si2 were synthesized by using the Al–Si binary eutectic as a flux. The structure of the two quaternary compounds has been refined by single crystal X-ray diffraction. Both compounds are stoichiometric and adopt an ordered derivative of the ternary KCu4S3 structure type (tetragonal tP8, P4/mmm). The two compounds reported here represent the first example of a quaternary and truly stoichiometric 1:1:4:2 phase crystallizing with this structure type. In light of our present results, the structure of the BaMg4Si3 compound given in literature as representing a new prototype is actually isotypic with the KCu4S3 structure. Local spin density approximation including the Hubbard U parameter (LSDA + U) calculations show that Eu ions are in the divalent state, with a significant hybridization between the Eu 5d, Rh (Ir) 4d (5d), Si 3p and Al 3p states. Magnetic susceptibility measured along the [001] direction confirms the divalent nature of the Eu ions in EuRhAl4Si2 and EuIrAl4Si2, which order magnetically near 11 and 15 K, respectively.

  17. Metal complexation by tripodal N-Acyl(thio)urea and picolin(thio)amide compounds: synthesis/extraction and potentiometric studies

    NARCIS (Netherlands)

    Reinoso garcia, M.M.; Dijkman, Arjan; Verboom, Willem; Reinhoudt, David; Malinowska, Elzbieta; Wojciechowska, Dorota; Pietrzak, Mariusz; Selucky, Pavel

    2005-01-01

    The synthesis and binding properties towards different cations of a series of tripodal ligands functionalized with N-acyl(thio)urea and picolin(thio)amide moieties are described. For the extraction of Am3+ and Eu3+ the compounds are not efficient. However, N-acylurea derivative 10 exhibit a

  18. Mandated reporters' experiences with reporting child maltreatment: a meta-synthesis of qualitative studies.

    Science.gov (United States)

    McTavish, Jill R; Kimber, Melissa; Devries, Karen; Colombini, Manuela; MacGregor, Jennifer C D; Wathen, C Nadine; Agarwal, Arnav; MacMillan, Harriet L

    2017-10-16

    To systematically search for research about the effectiveness of mandatory reporting of child maltreatment and to synthesise qualitative research that explores mandated reporters' (MRs) experiences with reporting. As no studies assessing the effectiveness of mandatory reporting were retrieved from our systematic search, we conducted a meta-synthesis of retrieved qualitative research. Searches in Medline (Ovid), Embase, PsycINFO, Cumulative Index to Nursing and Allied Health Literature, Sociological Abstracts, Education Resources Information Center, Criminal Justice Abstracts and Cochrane Library yielded over 6000 citations, which were deduplicated and then screened by two independent reviewers. English-language, primary qualitative studies that investigated MRs' experiences with reporting of child maltreatment were included. Critical appraisal involved a modified checklist from the Critical Appraisal Skills Programme and qualitative meta-synthesis was used to combine results from the primary studies. All healthcare and social-service settings implicated by mandatory reporting laws were included. Included studies crossed nine high-income countries (USA, Australia, Sweden, Taiwan, Canada, Norway, Finland, Israel and Cyprus) and three middle-income countries (South Africa, Brazil and El Salvador). The studies represent the views of 1088 MRs. Factors that influence MRs' decision to report and MRs' views towards and experiences with mandatory reporting of child maltreatment. Forty-four articles reporting 42 studies were included. Findings indicate that MRs struggle to identify and respond to less overt forms of child maltreatment. While some articles (14%) described positive experiences MRs had with the reporting process, negative experiences were reported in 73% of articles and included accounts of harm to therapeutic relationships and child death following removal from their family of origin. The findings of this meta-synthesis suggest that there are many potentially

  19. Identification and characterization of antifungal compounds using a Saccharomyces cerevisiae reporter bioassay.

    Directory of Open Access Journals (Sweden)

    Brad Tebbets

    Full Text Available New antifungal drugs are urgently needed due to the currently limited selection, the emergence of drug resistance, and the toxicity of several commonly used drugs. To identify drug leads, we screened small molecules using a Saccharomyces cerevisiae reporter bioassay in which S. cerevisiae heterologously expresses Hik1, a group III hybrid histidine kinase (HHK from Magnaporthe grisea. Group III HHKs are integral in fungal cell physiology, and highly conserved throughout this kingdom; they are absent in mammals, making them an attractive drug target. Our screen identified compounds 13 and 33, which showed robust activity against numerous fungal genera including Candida spp., Cryptococcus spp. and molds such as Aspergillus fumigatus and Rhizopus oryzae. Drug-resistant Candida albicans from patients were also highly susceptible to compounds 13 and 33. While the compounds do not act directly on HHKs, microarray analysis showed that compound 13 induced transcripts associated with oxidative stress, and compound 33, transcripts linked with heavy metal stress. Both compounds were highly active against C. albicans biofilm, in vitro and in vivo, and exerted synergy with fluconazole, which was inactive alone. Thus, we identified potent, broad-spectrum antifungal drug leads from a small molecule screen using a high-throughput, S. cerevisiae reporter bioassay.

  20. Prediction and optimization of the laccase-mediated synthesis of the antimicrobial compound iodine (I2).

    Science.gov (United States)

    Schubert, M; Fey, A; Ihssen, J; Civardi, C; Schwarze, F W M R; Mourad, S

    2015-01-10

    An artificial neural network (ANN) and genetic algorithm (GA) were applied to improve the laccase-mediated oxidation of iodide (I(-)) to elemental iodine (I2). Biosynthesis of iodine (I2) was studied with a 5-level-4-factor central composite design (CCD). The generated ANN network was mathematically evaluated by several statistical indices and revealed better results than a classical quadratic response surface (RS) model. Determination of the relative significance of model input parameters, ranking the process parameters in order of importance (pH>laccase>mediator>iodide), was performed by sensitivity analysis. ANN-GA methodology was used to optimize the input space of the neural network model to find optimal settings for the laccase-mediated synthesis of iodine. ANN-GA optimized parameters resulted in a 9.9% increase in the conversion rate. Copyright © 2014 Elsevier B.V. All rights reserved.

  1. Synthesis by plasma and characterization of semiconductor compounds derived of polyacetylene

    International Nuclear Information System (INIS)

    Vasquez, M.; Cruz, G.; Timoshina, T.; Olayo, R.

    2003-01-01

    In this work it is made a study of the structure and electric properties of chlorate polyethylene (PE-CI) with double and simple bonds obtained by continuous plasma with resistive coupling to 13.5 MHz. The synthesis conditions are power between 10 and 14 W and pressure of (6-7) x 10 -2 Torr. The synthesized PE-Cl in that way is soluble in acetone what indicates that probably is formed of short chains and not it shows the generalized inter crossing that is presented in some syntheses by plasma and that it can degrade the electric properties of these polymers. The IR and XPS analysis show the vibration of the C-C, C=C and C-CI bonds. The morphology of the polymer after being dissolved shows a compact and flat configuration. The electric conductivity has an approximately lineal behavior in an interval of 35 to 90% of relative humidity. (Author)

  2. NEW SHEET MOLDING COMPOUND RESINS FROM SOYBEAN OIL. I. SYNTHESIS AND CHARACTERIZATION. (R829576)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  3. Synthesis of Apoptotic New Quinazolinone-Based Compound and Identification of its Underlying Mitochondrial Signalling Pathway in Breast Cancer Cells.

    Science.gov (United States)

    Zahedifard, Maryam; Faraj, Fadhil Lafta; Paydar, Mohammadjavad; Looi, Chung Yeng; Hasandarvish, Pouya; Hajrezaie, Maryam; Kamalidehghan, Behnam; Majid, Nazia Abdul; Khalifa, Shaden A M; Ali, Hapipah Mohd; Abdulla, Mahmood Ameen; El-Seedi, Hesham R

    2015-01-01

    The anti-carcinogenic effect of the new quinazolinone compound, named MMD, was tested on MCF-7 human breast cancer cell line. The synthesis of quinazolinone-based compounds attracted strong attention over the past few decades as an alternative mean to produce analogues of natural products. Quinazolinone compounds sharing the main principal core structures are currently introduced in the clinical trials and pharmaceutical markets as anti-cancer agents. Thus, it is of high clinical interest to identify a new drug that could be used to control the growth and expansion of cancer cells. Quinazolinone is a metabolite derivative resulting from the conjugation of 2-aminobenzoyhydrazide and 5-methoxy-2- hydroxybenzaldehyde based on condensation reactions. In the present study, we analysed the influence of MMD on breast cancer adenoma cell morphology, cell cycle arrest, DNA fragmentation, cytochrome c release and caspases activity. MCF-7 is a type of cell line representing the breast cancer adenoma cells that can be expanded and differentiated in culture. Using different in vitro strategies and specific antibodies, we demonstrate a novel role for MMD in the inhibition of cell proliferation and initiation of the programmed cell death. MMD was found to increase cytochrome c release from the mitochondria to the cytosol and this effect was enhanced over time with effective IC50 value of 5.85 ± 0.71 μg/mL detected in a 72-hours treatment. Additionally, MMD induced cell cycle arrest at G0/G1 phase and caused DNA fragmentation with obvious activation of caspase-9 and caspases-3/7. Our results demonstrate a novel role of MMD as an anti-proliferative agent and imply the involvement of mitochondrial intrinsic pathway in the observed apoptosis.

  4. A green synthesis of α,β-unsaturated carbonyl compounds from glyceraldehyde acetonide

    Directory of Open Access Journals (Sweden)

    Cláudia O. Veloso

    2011-01-01

    Full Text Available The catalytic behavior of Cs-exchanged and Cs-impregnated zeolites (X and Y was studied using the Knoevenagel condensation between glyceraldehyde acetonide and ethyl acetoacetate in order to produce the corresponding α,β-unsaturated carbonyl compound that is an important intermediate for fine chemicals. The influence of reaction temperature, type of zeolite, and basicity of the sites on the catalytic behavior of the samples was evaluated. All zeolites were active for the studied reaction. The formation of the main condensation product was favored at lower reaction temperatures. Products of further condensations were also observed especially for samples that were only dried before catalytic test.

  5. Synthesis of Fuels and Value-Added Nitrogen-Containing Compounds from N2

    Science.gov (United States)

    2014-11-24

    compounds by solid state magnetometry, DFT calculations and EPR spectroscopy revealed principally ligand centered radicals, demonstrating a vanadium...provides definitive experimental proof of the enabling role of metal-ligand cooperativity. Aspects of this work were recently published as an article ...Centered Ered = -1.71 V pKa ≈ 28 BDFE(expt) = 65 kcal/mol BDFE(DFT) = 69 kcal/mol Imido/Amido Cation - EPR giso = 2.003 Aiso(51V) = 8 MHz giso = 1.990

  6. Synthesis and characterisation of thorium and uranium cyanoacetates and their coordination compounds (Preprint No. AL.14)

    International Nuclear Information System (INIS)

    Deshpande, S.G.; Vaidya, M.A.; Jain, S.C.

    1989-01-01

    Tetracyanoacetates, M(NCCH 2 COO) 4 (where M=Th or U) and UO 2 (NCCH 2 COO) 2 .H 2 O and their coordination complexes with (CH 3 ) 2 S=0 (DMSO), HCOON(CH 3 ) 2 , (DMF), 1,10-Phenenthrolene (Phen) and 2,2'Bipyridine (Bipy), have been synthesised and characterised by elemental analysis, molecular weight determination, molar conductance measurements, X-ray diffraction and infrared (IR) spectroscopic studies (4000 - 200 cm -1 ). Thermogravimetric analysis of the compounds have been carried out to study the thermal decomposition mode. (author)

  7. Synthesis and in Vitro Antimicrobial Evaluation of New N-Heterocyclic Diquaternary Pyridinium Compounds

    Directory of Open Access Journals (Sweden)

    Bianca Furdui

    2014-08-01

    Full Text Available A series of bis-pyridinium quaternary ammonium salts (bis-PyQAs with different aryl and heteroaryl moieties were synthesized and their antimicrobial activity investigated. The inhibition effect of the compounds was evaluated against bacteria, molds and yeasts; the activities were expressed as the minimum inhibitory concentrations (MIC. The relationships between the structure descriptors (logP, polarizability, polar surface area (2D, van der Waals area (3D and the biological activity of the tested bis-PyQAs are discussed.

  8. Organic compounds containing methoxy and cyanoacrylic acid: Synthesis, characterization, crystal structures, and theoretical studies

    Energy Technology Data Exchange (ETDEWEB)

    Khalaji, A. D., E-mail: alidkhalaji@yahoo.com [Golestan University, Department of Chemistry, Faculty of Science (Iran, Islamic Republic of); Maddahi, E. [Iran University of Science & Technology, Ms.C Educated, Department of Chemistry (Iran, Islamic Republic of); Dusek, M.; Fejfarova, K. [Institute of Physics of the ASCR, v.v.i. (Czech Republic); Chow, T. J. [Academia Sinica, Institute of Chemistry (China)

    2015-12-15

    Metal-free organic compounds 24-SC ((E)-2-cyano-3-(2,4-dimethoxyphenyl)acrylic acid) and 34-SC ((E)-2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid), containing methoxy groups as a donor and the acrylic acid as an acceptor were synthesized and characterized by CHN, FT-IR, UV-Vis, {sup 1}H-NMR and single crystal X-ray diffraction and used as photosensitizers for the application of dye-sensitized solar cells (DSSC). The sensitizing characteristics of them were evaluated. Both compounds contain the natural molecule, its anionic form and the piperidinium cation and they differ by number of these molecules in the asymmetric unit. To get further insight into the effect of molecular structure on the performance of DSSC, their geometry and energies of HOMO and LUMO were optimized by density functional theory calculation at the B3LYP/6-31G(d) level with Gaussian 03. Overall conversion efficiencies of 0.78 under full sunlight irradiation are obtained for DSSCs based on the new metal-free organic dyes 24-SC and 34-SC.

  9. Two 8-Hydroxyquinolinate Based Supramolecular Coordination Compounds: Synthesis, Structures and Spectral Properties

    Directory of Open Access Journals (Sweden)

    Chengfeng Zhu

    2017-03-01

    Full Text Available Two new Cr(III complexes based on 2-substituted 8-hydroxyquinoline ligands, namely [Cr(L13] (1, (HL1=(E-2-[2-(4-nitro-phenyl-vinyl]-8-hydroxy-quinoline and [Cr(L23] (2, (HL2=(E-2-[2-(4-chloro-phenylvinyl]-8-hydroxy-quinoline, were prepared by a facile hydrothermal method and characterized thoroughly by single crystal X-ray diffraction, powder X-ray diffraction, FTIR, TGA, ESI-MS, UV-Visible absorption spectra and fluorescence emission spectra. Single crystal X-ray diffraction analyses showed that the two compounds featured 3D supramolecular architectures constructed from noncovalent interactions, such as π···π stacking, C-H···π, C-H···O, C-Cl···π, C-H···Cl interactions. The thermogravimetric analysis and ESI-MS study of compounds 1 and 2 suggested that the Cr(III complexes possessed good stability both in solid and solution. In addition, the ultraviolet and fluorescence response of the HL1 and HL2 shown marked changes upon their complexation with Cr(III ion, which indicated that the two 8-hydroxyquinolinate based ligand are promising heavy metal chelating agent for Cr3+.

  10. Extractive biotransformation for production of metabolites of poorly soluble compounds: synthesis of 32-hydroxy-rifalazil.

    Science.gov (United States)

    Mozhaev, Vadim V; Mozhaeva, Lyudmila V; Michels, Peter C; Khmelnitsky, Yuri L

    2008-10-01

    A novel reaction system was developed for the production of metabolites of poorly water-soluble parent compounds using mammalian liver microsomes. The system includes the selection and use of an appropriate hydrophobic polymeric resin as a reservoir for the hydrophobic parent compounds and its metabolites. The utility of the extractive biotransformation approach was shown for the production of a low-yielding, synthetically challenging 32-hydroxylated metabolite of the antibiotic rifalazil using mouse liver microsomes. To address the low solubility and reactivity of rifalazil in the predominantly aqueous microsomal catalytic system, a variety of strategies were tested for the enhanced delivery of hydrophobic substrates, including the addition of mild detergents, polyvinylpyrrolidone, glycerol, bovine serum albumin, and hydrophobic polymeric resins. The latter strategy was identified as the most suitable for the production of 32-hydroxy-rifalazil, resulting in up to 13-fold enhancement of the volumetric productivity compared with the standard aqueous system operating at the solubility limit of rifalazil. The production process was optimized for a wide range of reaction parameters; the most important for improving volumetric productivity included the type and amount of the polymeric resin, cofactor recycling system, concentrations of the biocatalyst and rifalazil, reaction temperature, and agitation rate. The optimized extractive biotransformation system was used to synthesize 32-hydroxy-rifalazil on a multimilligram scale.

  11. Rapid Asymmetric Synthesis of Disubstituted Allenes by Coupling of Flow-Generated Diazo Compounds and Propargylated Amines.

    Science.gov (United States)

    Poh, Jian-Siang; Makai, Szabolcs; von Keutz, Timo; Tran, Duc N; Battilocchio, Claudio; Pasau, Patrick; Ley, Steven V

    2017-02-06

    We report herein the asymmetric coupling of flow-generated unstabilized diazo compounds and propargylated amine derivatives, using a new pyridinebis(imidazoline) ligand, a copper catalyst and base. The reaction proceeds rapidly, generating chiral allenes in 10-20 minutes with high enantioselectivity (89-98 % de/ee), moderate yields and a wide functional group tolerance. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Hybrid microwave synthesis and characterization of the compounds in the Li-Ti-O system

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Li Hong; Dong, Cheng; Guo, Juan [National Laboratory for Superconductivity, Institute of Physics and Beijing National Laboratory for Condensed Matter Physics, Chinese Academy of Science, P.O. Box 603, Beijing 100080 (China)

    2008-01-03

    Hybrid microwave synthesis has been applied for preparation of Li{sub 4}Ti{sub 5}O{sub 12}, Li{sub 2}Ti{sub 3}O{sub 7}, Li{sub 2}TiO{sub 3} and LiTiO{sub 2} for the first time. Stepwise heating was used for avoiding the instantaneous release of gas by-product and obtaining well-shaped samples. The samples were characterized by powder X-ray diffraction, energy-dispersive X-ray analysis and scanning electron microscopy. The obtained samples have relatively uniform particle sizes. The electrochemical performance of Li{sub 4}Ti{sub 5}O{sub 12} and Li{sub 2}Ti{sub 3}O{sub 7} were investigated. The first discharge capacity of Li{sub 4}Ti{sub 5}O{sub 12} was 150 mAh g{sup -1} and 141 mAh g{sup -1} after 27 cycles and a very flat discharge and charge curve of Li{sub 4}Ti{sub 5}O{sub 12} was shown at about 1.56 V. Similarly, Li{sub 2}Ti{sub 3}O{sub 7} exhibits good cycle performance. The initial discharge capacity is 118 mAh g{sup -1} and 30th cycle is still 112 mAh g{sup -1}. (author)

  13. Ion-exchange synthesis of compounds based on low-water niobium hydroxide

    International Nuclear Information System (INIS)

    Ivanova, N.E.; Sakharov, V.E.; Korovin, S.S.

    1977-01-01

    Ordinary physico-chemical methods have been used for studying the possibilities of the ion-exchange synthesis of niobates of alkaline and alkaline-earth elements based on low-water niobium hydroxide small at relatively low temperatures. It has been established that cation-exchange properties of low-water niobium hydroxide are revealed in a wide range of pH (from 8.95 to 12.4 for alkaline-earth elements and from 6.7 to 12.0 for alkaline elements). Physico-chemical study of solid phases points that there is a monophase with low-water niobium hydroxide. The rate of crystallization ageing of amorphous phases based on low-water niobium hydroxide is rather small for the samples with a M:Nb ratio less than 1.0 whereas mixed hydroxides with M:Nb ratio more than 1.0 reveal on X-ray diffraction patterns diffusion reflections after keeping in mother liquor for 5 hours-1 day

  14. Direct synthesis of II-VI compound nanocrystals in polymer matrix

    International Nuclear Information System (INIS)

    Antolini, F.; Di Luccio, T.; Laera, A.M.; Mirenghi, L.; Piscopiello, E.; Re, M.; Tapfer, L.

    2007-01-01

    The production of II-VI semiconductor compound - polymer matrix nanocomposites by a direct in-situ thermolysis process is described. Metal-thiolate precursor molecules embedded in a polymer matrix decompose by a thermal annealing and the nucleation of semiconductor nanocrystals occurs. It is shown that the nucleation of nanoparticles and the formation of the nanocomposite can be also achieved by laser beam irradiation; this opens the way towards a ''lithographic'' in-situ nanocomposite production process. A possible growth and nanocomposite formation mechanism, describing the structural and chemical transformation of the precursor molecules, their decomposition and the formation of the nanoparticles, is presented. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. Trifluoroethylation of Alkynes: Synthesis of Allylic-CF3 Compounds by Visible-Light Photocatalysis

    Institute of Scientific and Technical Information of China (English)

    Geum-bee Roh; Naeem Iqbal; Eun Jin Cho

    2016-01-01

    Two types of allylic trifluoromethylated compounds were synthesized by reacting alkynes with CF3CH2I using visible-light photocatalysis.Subtle differences in the catalytic system controlled the selectivity of iodotrifluoroethylation and hydrotrifluoroethylation.The iodotrifluoroethylated products were obtained in the presence of [Ru(bpy)3]C12 and TMEDA in CH3CN under visible-light irradiation,whereas hydrotrifluoroethylated products were synthesized usingfac-[Ir(ppy)3] and a mixture of DBU and K2CO3 in DMF.The iodotrifluoroethylation reaction worked particularly well,even at gram-scale,and the synthetic utility of iodotrifluoroethylated products was proved by their coupling reactions,providing complex CF3-containing products.

  16. Synthesis of heterocyclic compounds through palladium-catalyzed C-H cyclization processes.

    Science.gov (United States)

    Inamoto, Kiyofumi

    2013-01-01

    Herein, we describe our development of synthetic methods for heterocyclic compounds based on the palladium-catalyzed carbon-hydrogen bond (C-H) functionalization/intramolecular carbon-heteroatom (nitrogen or sulfur) bond formation process. By this C-H cyclization method, we efficiently prepared various N-heterocycles, including indazoles, indoles, and 2-quinolinones, as well as S-heterocycles such as benzothiazoles and benzo[b]thiophenes. Yields are typically good to high and good functional-group tolerance is observed for each process, thereby indicating that the method provides a novel, highly applicable synthetic route to the abovementioned biologically important heterocyclic frameworks. As an application of this approach, an auto-tandem-type, one-pot process involving the oxidative Heck reaction and subsequent C-H cyclization using cinnamamides and arylboronic acids as starting materials in the presence of a palladium catalyst was also developed for the rapid construction of the 2-quinolinone nucleus.

  17. Synthesis and evaluation of fluorine-18 labelled compounds for imaging of bacterial infections with pet

    International Nuclear Information System (INIS)

    Zijlstra, S.; Gunawan, J.; Freytag, C.; Burchert, W.

    2006-01-01

    Syntheses of no carrier added (n.c.a.) 6-fluoro-1,4-dihydro-1-cyclopropyl-4-oxo-7-[4-[ 18 F]fluoro-phenacyl -1-piperacinyl]-chinolincarboxylic acid ([ 18 F]COPCA) and n.c.a. 4-[ 18 F]fluoro-benzoyl-ubiquicidin 29-41 ([ 18 F]UBI 29-41) are described. [ 18 F]COPCA was synthesised within 120 min with a radiochemical yield of 9-12%. [ 18 F]UBI 29-41 was synthesised within 150 min with a radiochemical yield of 15-20%. Both compounds had a specific activity of more than 35 GBq/μ mol. The biological activity was verified by measuring its binding to Staphylococcus aureus bacteria. Specific binding was found for [ 18 F]UBI 29-41 (12-17%), whereas no specific binding for [ 18 F]COPCA was found

  18. Synthesis of Some New Quaternary Ammonium Compounds Evaluation of their Surface properties and Solubilization Activity

    International Nuclear Information System (INIS)

    Ismail, D.A.; Mohamed, A.S.; Mohamed, M.Z.

    2004-01-01

    Four cationic surfactants were prepared by condensing fatty acid methyl diethanolamine derivatives (C 6 , C I0 , C I2 , C I8 ) with stoichiometric amounts of trimethyl chlorosilane. The surface properties and parameters were investigated to find the relationship between the structure of the hydrophobic portion of such compounds and their efficiency toward solubilization. The properties studied included surface excess concentration (Γ m ax), critical micelle concentration (cmc). free energy of micellization (ΔG ο m ic) and adsorption (ΔG ο a ds) in addition to the surface tension (γ c mc) at cmc and effectiveness (Π c mc). The values of Γ m ax, ΔG ο mic and ΔG ο a ds were found to increase with increasing number of chain length. while cmc and minimum surface area occupied by one molecule (A m in) were decreased. Solubilization effect of these surfactants on paraffin oil as a non polar solubilizate and biodegradability were studied

  19. Detection of estrogenic activity in sediment-associated compounds using in vitro reporter gene assays

    NARCIS (Netherlands)

    Legler, J.; Dennekamp, M.; Vethaak, A.D.; Brouwer, A.; Koeman, J.H.; Burg, van der B.; Murk, A.J.

    2002-01-01

    Sediments may be the ultimate sink for persistent (xeno-) estrogenic compounds released into the aquatic environment. Sediment-associated estrogenic potency was measured with an estrogen receptor-mediated luciferase reporter gene (ER-CALUX) assay and compared with a recombinant yeast screen. The

  20. Proposed Oral Reference Dose (RfD) for Barium and Compounds (Final Report, 2004)

    Science.gov (United States)

    This document is the final report from the 2004 external peer review of the Proposed Oral Reference Dose (RfD) for Barium and Compounds, prepared by the U.S. Environmental Protection Agency (EPA), National Center for Environmental Assessment (NCEA), for the Integrated Risk...

  1. Synthesis, structural characterization, thermal analysis, and DFT calculation of a novel zinc (II)-trifluoro-β-diketonate 3D supramolecular nano organic-inorganic compound with 1,3,5-triazine derivative

    Energy Technology Data Exchange (ETDEWEB)

    Mirtamizdoust, Babak, E-mail: babakm.tamizdoust@gmail.com [Department of Chemistry, Yasouj University, Yasouj, 75918-74831 (Iran, Islamic Republic of); Department of Chemistry, Faculty of Science, University of Qom, PO Box 37185-359, Qom, Islamic Republic of Iran (Iran, Islamic Republic of); Ghaedi, Mehrorang [Department of Chemistry, Yasouj University, Yasouj, 75918-74831 (Iran, Islamic Republic of); Hanifehpour, Younes, E-mail: y_hanifehpour@yu.ac.kr [School of Mechanical Engineering, WCU Nano Research Center, Yeungnam University, Gyongsan, 712-749 (Korea, Republic of); Mague, Joel T. [Department of Chemistry, Tulane University, New Orleans (United States); Joo, Sang Woo, E-mail: swjoo1@gmail.com [School of Mechanical Engineering, WCU Nano Research Center, Yeungnam University, Gyongsan, 712-749 (Korea, Republic of)

    2016-10-01

    A sonochemical method was used to synthesize a novel nano-structure of a zinc(II) organic-inorganic compound [Zn(dapt){sub 2}(ttfa){sub 2}] (1) [dapt = 2,4-diamino-6-phenyl-1,3,5-triazine and ttfa = 2-thenoyltrifluoroacetonate]. The new nanostructure was characterized by scanning electron microscopy, X-ray powder diffraction, elemental analysis, and thermal analysis. The single-crystal X-ray structure shows that 1 is a discrete coordination compound. Strong intra- and intermolecular hydrogen bonds are observed in the structure with the latter forming chains of molecules running parallel to (110). The chains are further extended into a three-dimensional supramolecular structure by intermolecular C−F⋯π interactions between trifluoromethyl and triazine moieties. The coordination number of the zinc(II) ion is six (ZnN{sub 2}O{sub 4}), and the coordination sphere is tetragonally elongated octahedral. The structure of the title complex was optimized by DFT calculations. - Highlights: • A new zinc(II) 3D coordination supramolecular compound was synthesized. • Ultrasound synthesis of nano coordination compound have been reported. • The X-ray crystal structure of the compound is reported.

  2. Synthesis and evaluation of ?-hydroxy fatty acid-derived heterocyclic compounds with potential industrial interest

    Directory of Open Access Journals (Sweden)

    El-Sayed, R.

    2006-12-01

    Full Text Available T2-Hydroxyheptadecanoic acid chloride (2 reacted with anthranilic acid to produce 2-substituted-3,1-benzoxazin-4-one (3 which was used as starting material to synthesize some condensed and non-condensed heterocyclic compounds by reaction with nitrogen nucleophiles e.g., hydrazine hydrate, and formamide. The products were subjected to reaction with different moles of propylene oxide (n = 5, 10, 15 to produce a novel group of nonionic compounds having a double function as antibacterial and surface active agents which can be used in the manufacturing of drugs, cosmetics, pesticides or can be used as antibacterial and/or antifungal additives. The surface active properties as surface and interfacial tension, cloud point, foaming height, wetting time, and emulsification power were determined, the antimicrobial and biodegradability were also screened.El cloruro del ácido 2-hidroxiheptadecanoico (2 reaccionó con el ácido antranílico para producir 3,1-benzoxazin-4-onas 2-sustituidas que fueron usadas como material de partida en la síntesis de compuestos heterocíclicos condensados y no condensados por reacción con nucleófilos nitrogenados, como la hidracina o la formamida. Los productos fueron hechos reaccionar con diferentes moles de óxido de propileno (n = 5, 10, 15 para producir un grupo nuevo de compuestos no-iónicos teniendo una doble función como antibacterianos y tensoactivos que pueden ser usados en la manufactura de medicamentos, cosméticos, pesticidas, o pueden ser usados como aditivos antibacterianos y/o antifúngicos. Se determinaron diversas propiedades físicas de los compuestos preparados así como sus efectos antimicrobianos y sus biodegrabilidad.

  3. Development of Ni-Based Catalysts Derived from Hydrotalcite-Like Compounds Precursors for Synthesis Gas Production via Methane or Ethanol Reforming

    Directory of Open Access Journals (Sweden)

    Ya-Li Du

    2017-02-01

    Full Text Available As a favorably clean fuel, syngas (synthesis gas production has been the focus of concern in past decades. Substantial literatures reported the syngas production by various catalytic reforming reactions particularly in methane or ethanol reforming. Among the developed catalysts in these reforming processes, Ni-based catalysts from hydrotalcite-like compounds (HTLcs precursors have drawn considerable attention for their preferable structural traits. This review covers the recent literature reporting syngas production with Ni-based catalysts from HTLc precursors via methane or ethanol reforming. The discussion was initiated with catalyst preparation (including conventional and novel means, followed by subsequent thermal treatment processes, then composition design and the addition of promoters in these catalysts. As Ni-based catalysts have thermodynamic potential to deactivate because of carbon deposition or metal sintering, measures for dealing with these problems were finally summarized. To obtain optimal catalytic performances and resultantly better syngas production, based on analyzing the achievements of the references, some perspectives were finally proposed.

  4. Design, synthesis, antiviral activity and mode of action of phenanthrene-containing N-heterocyclic compounds inspired by the phenanthroindolizidine alkaloid antofine.

    Science.gov (United States)

    Yu, Xiuling; Wei, Peng; Wang, Ziwen; Liu, Yuxiu; Wang, Lizhong; Wang, Qingmin

    2016-02-01

    The phenanthroindolizidine alkaloid antofine and its analogues have excellent antiviral activity against tobacco mosaic virus (TMV). To simplify the structure and the synthesis of the phenanthroindolizidine alkaloid, a series of phenanthrene-containing N-heterocyclic compounds (compounds 1 to 33) were designed and synthesised, based on the intermolecular interaction of antofine and TMV RNA, and systematically evaluated for their anti-TMV activity. Most of these compounds exhibited good to reasonable anti-TMV activity. The optimum compounds 5, 12 and 21 displayed higher activity than the lead compound antofine and commercial ribavirin. Compound 12 was chosen for field trials of antiviral efficacy against TMV, and was found to exhibit better activity than control plant virus inhibitors. Compounds 5 and 12 were chosen for mode of action studies. The changes in fluorescence intensity of compounds 5 and 12 on separated TMV RNA showed that these small molecules can also bind to TMV RNA, but the mode is very different from that of antofine. The compounds combining phenanthrene and an N-heterocyclic ring could maintain the anti-TMV activity of phenanthroindolizidines, but their modes of action are different from that of antofine. The present study lays a good foundation for us to find more efficient anti-plant virus reagents. © 2015 Society of Chemical Industry.

  5. Molten salts activated by high-energy milling: A useful, low-temperature route for the synthesis of multiferroic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Hernández-Ramírez, Anayantzin; Martínez-Luévanos, Antonia [Facultad de Ciencias Químicas, Universidad Autónoma de Coahuila, V. Carranza s/n, Saltillo, Coahuila 25280 (Mexico); Fuentes, Antonio F. [CINVESTAV Unidad Saltillo, Apdo. Postal 663, Saltillo, Coahuila 25000 (Mexico); Earth and Environmental Science, University of Michigan, 3514 C.C. Little Building, 1100 N. University Avenue, Ann Arbor, MI 48109-1005 (United States); Nelson, Anna-Gay D.; Ewing, Rodney C. [Earth and Environmental Science, University of Michigan, 3514 C.C. Little Building, 1100 N. University Avenue, Ann Arbor, MI 48109-1005 (United States); Montemayor, Sagrario M., E-mail: smmontemayor@gmail.com [Facultad de Ciencias Químicas, Universidad Autónoma de Coahuila, V. Carranza s/n, Saltillo, Coahuila 25280 (Mexico); Earth and Environmental Science, University of Michigan, 3514 C.C. Little Building, 1100 N. University Avenue, Ann Arbor, MI 48109-1005 (United States)

    2014-01-25

    Highlights: • The synthesis route purposed demonstrates the formation of BiFeO{sub 3} at only 500 °C. • The magnetic and ferroelectric properties are comparable to those of bulk BiFeO{sub 3}. • By this route, several phases in Bi{sub 1−x}La{sub x}FeO{sub 3} system are obtained at only 500 °C. • The route developed here could be useful to synthesize other perovskite-type oxides. -- Abstract: There are only a few multiferroic compounds, among which BiFeO{sub 3} is the most important. Research the synthesis of bismuth ferrite, with novel and improved magnetic and electrical properties, has been mainly based on the use of hydrothermal or sol gel methods. However, these methods require either rather extreme conditions or several steps for synthesis. We demonstrate that the use of molten salts, activated by high energy milling, results in pure nanometric BiFeO{sub 3}, LaFeO{sub 3} and intermediate phases in the Bi{sub 1−x}La{sub x}FeO{sub 3} system. The chemical reagents used are Bi(NO{sub 3}){sub 3}⋅5H{sub 2}O, La(NO{sub 3}){sub 3}⋅6H{sub 2}O, Fe(NO{sub 3}){sub 3}⋅9H{sub 2}O and NaOH. A brief milling process of the reagents creates an amorphous precursor and crystalline NaNO{sub 3}. The thermal treatment of the precursors, at 500 °C for two hours, produces a crystalline mixture of Bi{sub 1−x}La{sub x}FeO{sub 3} and NaNO{sub 3}. Simple washing eliminates the NaNO{sub 3}. The characterization of intermediates and final products, through thermal analysis, X-ray diffraction and scanning electronic microscopy, allows the inference of possible mechanism. In addition, vibrating sample magnetometry (VSM) and ferroelectric tests show the typical magnetic and electric polarization loops characteristic of these materials even when formed at the nano-scale.

  6. Synthesis of Complex-Alloyed Nickel Aluminides from Oxide Compounds by Aluminothermic Method

    Directory of Open Access Journals (Sweden)

    Victor Gostishchev

    2018-06-01

    Full Text Available This paper deals with the investigation of complex-alloyed nickel aluminides obtained from oxide compounds by aluminothermic reduction. The aim of the work was to study and develop the physicochemical basis for obtaining complex-alloyed nickel aluminides and their application for enhancing the properties of coatings made by electrospark deposition (ESD on steel castings, as well as their use as grain refiners for tin bronze. The peculiarities of microstructure formation of master alloys based on the Al–TM (transition metal system were studied using optical, electronic scanning microscopy and X-ray spectral microanalysis. There were regularities found in the formation of structural components of aluminum alloys (Ni–Al, Ni-Al-Cr, Ni-Al-Mo, Ni-Al-W, Ni-Al-Ti, Ni-Cr-Mo-W, Ni-Al-Cr-Mo-W-Ti, Ni-Al-Cr-V, Ni-Al-Cr-V-Mo and changes in their microhardness, depending on the composition of the charge, which consisted of oxide compounds, and on the amount of reducing agent (aluminum powder. It is shown that all the alloys obtained are formed on the basis of the β phase (solid solution of alloying elements in nickel aluminide and quasi-eutectic, consisting of the β′ phase and intermetallics of the alloying elements. The most effective alloys, in terms of increasing microhardness, were Al-Ni-Cr-Mo-W (7007 MPa and Al-Ni-Cr-V-Mo (7914 MPa. The perspective is shown for applying the synthesized intermetallic master alloys as anode materials for producing coatings by electrospark deposition on steel of C1030 grade. The obtained coatings increase the heat resistance of steel samples by 7.5 times, while the coating from NiAl-Cr-Mo-W alloy remains practically nonoxidized under the selected test conditions. The use of NiAl intermetallics as a modifying additive (0.15 wt. % in tin bronze allows increasing the microhardness of the α-solid solution by 1.9 times and the microhardness of the eutectic (α + β phase by 2.7 times.

  7. On the synthesis of a compound with positive enthalpy of formation: Zinc-blende-like RuN thin films obtained by rf-magnetron sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Cattaruzza, E., E-mail: cattaruz@unive.it [Department of Molecular Sciences and Nanosystems, Ca’ Foscari University of Venice, Via Torino 155/B, 30172 Mestre-VE (Italy); Battaglin, G.; Riello, P. [Department of Molecular Sciences and Nanosystems, Ca’ Foscari University of Venice, Via Torino 155/B, 30172 Mestre-VE (Italy); Cristofori, D. [Department of Molecular Sciences and Nanosystems, Ca’ Foscari University of Venice and Centre for Electron Microscopy “Giovanni Stevanato”, Via Torino 155/B, 30172 Mestre-VE (Italy); Tamisari, M. [Department of Physics and Earth Sciences, University of Ferrara, Via Saragat 1, 44121 Ferrara (Italy)

    2014-11-30

    Highlights: • RuN thin films in the zinc-blende structure have been synthesized by rf-magnetron sputtering. • Contribute is given to the understanding of phase-formation mechanisms in systems that under ambient conditions present positive enthalpies of formation. • Contribute is given to the understanding of phenomena occurring during reactive sputtering processes. • Nanopillar structure: suitable for application requiring a high effective area, like sensing, catalysis, and electrode material for energy-storage devices. - Abstract: 4d- and 5d-transition metal nitrides are of interest both because of their importance for the understanding of mechanisms of phase formation in systems that under ambient conditions present positive enthalpies of formation and because of their appealing structural and electronic properties. In this study, we report the synthesis of thin films of ruthenium mononitride (RuN) in the zinc-blende structure by radio-frequency-magnetron sputtering. Films present a characteristic structure of packed columns ending with tetrahedral tips. The effect of changing the synthesis parameters was investigated in detail. It was found that RuN can be formed if the nitrogen partial pressure exceeds a minimum value and that the addition of argon has the major effect of increasing the deposition rate because of its higher sputter ability. Temperature plays an important role: if it is too high, decomposition/desorption effects overcome those leading to the formation of the compound. Phenomena resulting in the formation of RuN occur at the surface of the growing films and are related to the interactions of ruthenium with energetic nitrogen ions, or atoms, which can penetrate the first atomic layers by low energy implantation. Because of its properties and structure, this material is a promising candidate for applications like sensing, catalysis, and electrode material for energy-storage devices.

  8. The effect of Li2CO3 substitution on synthesis of LiBOB compounds as salt of electrolyte battery lithium ion

    Science.gov (United States)

    Lestariningsih, Titik; Wigayati, Etty Marty; Sabrina, Qolby; Prihandoko, Bambang; Priyono, Slamet

    2018-04-01

    Development of the synthesis of LiB(C2O4)2 compounds continues to evolve along with the need for electrolyte salts to support the research of the manufacture of lithium ion batteries. A study had been conducted on the effect of Li2CO3 substitution on the synthesis of LiB(C2O4)2 or LiBOB compounds. LiBOB was a major candidate to replace LiPF6 as a highly toxic lithium battery electrolyte and harmful to human health. Synthesis of Lithium bis(oxalato) borate used powder metallurgy method. The raw materials used are H2C2O4.2H2O, Li2CO3 or LiOH and H2BO3 from Merck Germany products. The materials are mixed with 2: 1: 1 mol ratio until homogeneous. The synthesis of LiBOB refers to previous research, where the heating process was done gradually. The first stage heating is carried out at 120°C for 4 hours, then the next stage heating is carried out at 240°C for 7 hours. The sample variation in this study was to distinguish the lithium source from Li2CO3 and LiOH. Characterization was done by XRD to know the phase formed, FTIR to confirm that functional group of LiB(C2O4)2 compound, SEM to know the morphological structure, and TG/DTA to know the thermal properties. The results of the analysis shows that LiBOB synthesis using Lithium source from Li2CO3 has succeeded to form LiBOB compound with more LiBOB phase composition is 59.1% and 40.9% LiBOB hydrate phase, SEM morphology shows powder consist of elongated round particle porous and similar to LiBOB commercial and show higher thermal stability.

  9. Synthesis of 6-Methyl-9-propyldibenzothiophene-4-ol. Technical progress report No. 2, October 25, 1990--January 25, 1991

    Energy Technology Data Exchange (ETDEWEB)

    Eisenbraun, E.J.

    1991-02-15

    The synthesis route for preparing the title compound, has been carried out on a small scale for the preparation of a mixture of isomers. Alternative routes for the cyclization are being explored. (DLC)

  10. Soft antimicrobial agents: synthesis and activity of labile environmentally friendly long chain quaternary ammonium compounds.

    Science.gov (United States)

    Thorsteinsson, Thorsteinn; Másson, Már; Kristinsson, Karl G; Hjálmarsdóttir, Martha A; Hilmarsson, Hilmar; Loftsson, Thorsteinn

    2003-09-11

    A series of soft quaternary ammonium antimicrobial agents, which are analogues to currently used quaternary ammonium preservatives such as cetyl pyridinium chloride and benzalkonium chloride, were synthesized. These soft analogues consist of long alkyl chain connected to a polar headgroup via chemically labile spacer group. They are characterized by facile nonenzymatic and enzymatic degradation to form their original nontoxic building blocks. However, their chemical stability has to be adequate in order for them to have antimicrobial effects. Stability studies and antibacterial and antiviral activity measurements revealed relationship between activity, lipophilicity, and stability. Their minimum inhibitory concentration (MIC) was as low as 1 microg/mL, and their viral reduction was in some cases greater than 6.7 log. The structure-activity studies demonstrate that the bioactive compounds (i.e., MIC for Gram-positive bacteria of <10 microg/mL) have an alkyl chain length between 12 and 18 carbon atoms, with a polar headgroup preferably of a small quaternary ammonium group, and their acquired inactivation half-life must be greater than 3 h at 60 degrees C.

  11. Synthesis and crystal structure of new K and Rb selenido/tellurido ferrate cluster compounds

    Energy Technology Data Exchange (ETDEWEB)

    Stueble, Pirmin; Berroth, Angela; Roehr, Caroline [Freiburg Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie

    2016-08-01

    In the course of a systematic study of alkali iron chalcogenido salts containing clusters [Fe{sub 4}Q{sub 8}] a series of new mixed-valent potassium and rubidium selenido and tellurido ferrates(II/III) was synthesized by carefully heating the pure elements enclosed in sample tubes under an argon atmosphere up to maximum temperatures of 800-900 C. Their crystal structures have been determined by means of single crystal X-ray diffraction. The mixed-valent Fe{sup II/III} tellurido ferrates A{sub 7}[Fe{sub 4}Te{sub 8}] form three different structure types. All structures contain tetramers of four edge sharing [FeTe{sub 4}] tetrahedra, which are connected by common edges to form only slightly distorted tetrahedral [Fe{sub 4}Te{sub 8}]{sup 7-} anions ('stella quadrangula') with a [Fe{sub 4}Te{sub 4}] cubane core. In all cases, these anions are surrounded by 26 alkali cations, which are located at the eight corners and the midpoints of the six faces and 12 edges of a cube. The three crystal structures can thus be described by three different packings of cuboid moieties: The monoclinic rubidium compound Rb{sub 7}[Fe{sub 4}Te{sub 8}] (space group C2/c, a = 2000.16(7), b = 897.79(3), c = 1768.12(6) pm, β = 117.4995(10) , Z = 4, R1 = 0.0296) is isotypic to the known cesium tellurido and sulfido ferrates Cs{sub 7}[Fe{sub 4}(S/Te){sub 8}]. Depending on the temperature, K{sub 7}[Fe{sub 4}Te{sub 8}] forms two different but closely related new structure types: The tetragonal r.t. modification (space group P4{sub 2}/nmc, a = 1222.25(14), c = 872.1(2) pm, Z = 2, R1 = 0.0583) crystallizes in a supergroup of the orthorhombic l.t. (100 K) form (space group Pbcn, a = 1715.5, b = 866.76(3), c = 1715.50(7) pm, Z = 4, R1 = 0.0160). In all structures, the cluster centered cubes are stacked to form columns along the short (∼ 870 pm) axis. These columns are themselves densely packed with 4 (both K compounds) and 6 (A = Rb) adjacent face-sharing columns. According to these

  12. Synthesis and ferroelectric properties of rare earth compounds with tungsten bronze-type structure

    Energy Technology Data Exchange (ETDEWEB)

    Bouziane, M., E-mail: bouzianemeryem@yahoo.fr [Laboratoire de Chimie du Solide Appliquee, Faculte des Sciences, Avenue Ibn Batouta, BP 1014, Rabat (Morocco); Taibi, M. [Laboratoire de Physico-Chimie des Materiaux, LAF 502, Ecole Normale Superieure, BP 5118, Rabat (Morocco); Boukhari, A. [Laboratoire de Chimie du Solide Appliquee, Faculte des Sciences, Avenue Ibn Batouta, BP 1014, Rabat (Morocco)

    2011-10-03

    Highlights: {center_dot} Polycrystalline materials with the tungsten bronze-type structure have been synthesized and characterized. {center_dot} Effect of the incorporation of rare earth ions and paramagnetic cations (Fe{sup 3+}) into a matrix ferroelectrically active was studied. {center_dot} Ferroelectric transition is pronounced by a large thermal hysteresis during the heating and cooling cycles. {center_dot} Phase transitions around T{sub c} were confirmed by differential scanning calorimetry (DSC) measurements. - Abstract: Polycrystalline materials with a general formula Pb{sub 2}Na{sub 0.8}R{sub 0.2}Nb{sub 4.8}Fe{sub 0.2}O{sub 15} (R = Dy, Eu, Sm, Nd, La) have been synthesized, in air by a high temperature solid state reaction method. X-ray diffraction study, at room temperature, revealed that they crystallize in the tungsten bronze-type structure. Dielectric properties were performed, in the temperature range 25-500 deg. C, at three different frequencies 10, 100 and 1000 kHz. The ferroelectric transition is pronounced by a large thermal hysteresis during the heating and cooling cycles. The determined Curie temperature values T{sub c} were discussed as a function of rare earth size. Phase transitions around T{sub c} for the investigated compounds were confirmed by differential scanning calorimetry (DSC) measurements.

  13. Synthesis, characterisation and biological properties of gold(III) compounds with modified bipyridine and bipyridylamine ligands.

    Science.gov (United States)

    Casini, Angela; Diawara, Mariam Celine; Scopelliti, Rosario; Zakeeruddin, Shaik Mohammed; Grätzel, Michael; Dyson, Paul J

    2010-03-07

    Square planar gold(III) complexes that contain functionalised bipyridine ligands of general formula [Au(N--N)Cl(2)][PF(6)] [where N--N = 2,2'-bipyridine, 4,4'-dimethyl-2,2'-bipyridine, 4,4'-dimethoxy-2,2'-bipyridine and 4,4'-diamino-2,2'-bipyridine] have been prepared and characterised by NMR spectroscopy and mass spectrometry. Two of the complexes have also been characterised in the solid state by X-ray crystallography. In addition, a gold(iii) compound bearing a dipyridin-2-ylamine ligand was also prepared and characterised. The complexes were found to undergo hydrolysis under pseudo-physiological conditions. Moreover, the complexes showed moderate to good cytotoxicity in vitro towards the A2780 human ovarian carcinoma cell line and the cisplatin resistant variant A2780cisR. Reactivity studies with biomolecules, such as reducing agents, plasmid DNA and a model protein (ubiquitin) were also performed to provide tentative insights into the mode of action of the complexes.

  14. Nitric oxide synthesis and biological functions of nitric oxide released from ruthenium compounds

    Directory of Open Access Journals (Sweden)

    A.C. Pereira

    2011-09-01

    Full Text Available During three decades, an enormous number of studies have demonstrated the critical role of nitric oxide (NO as a second messenger engaged in the activation of many systems including vascular smooth muscle relaxation. The underlying cellular mechanisms involved in vasodilatation are essentially due to soluble guanylyl-cyclase (sGC modulation in the cytoplasm of vascular smooth cells. sGC activation culminates in cyclic GMP (cGMP production, which in turn leads to protein kinase G (PKG activation. NO binds to the sGC heme moiety, thereby activating this enzyme. Activation of the NO-sGC-cGMP-PKG pathway entails Ca2+ signaling reduction and vasodilatation. Endothelium dysfunction leads to decreased production or bioavailability of endogenous NO that could contribute to vascular diseases. Nitrosyl ruthenium complexes have been studied as a new class of NO donors with potential therapeutic use in order to supply the NO deficiency. In this context, this article shall provide a brief review of the effects exerted by the NO that is enzymatically produced via endothelial NO-synthase (eNOS activation and by the NO released from NO donor compounds in the vascular smooth muscle cells on both conduit and resistance arteries, as well as veins. In addition, the involvement of the nitrite molecule as an endogenous NO reservoir engaged in vasodilatation will be described.

  15. The RMgSn{sub 2} series of compounds (R = rare earth metal). Synthesis, crystal structure, and magnetic measurements

    Energy Technology Data Exchange (ETDEWEB)

    Solokha, Pavlo; Minetti, Riccardo; De Negri, Serena; Saccone, Adriana [Dipartimento di Chimica e Chimica Industriale, Universita di Genova (Italy); Pereira, Laura Cristina J.; Goncalves, Antonio P. [Centro de Ciencias e Tecnologias Nucleares, Instituto Superior Tecnico, EN 10, Universidade de Lisboa, Bobadela (Portugal)

    2017-06-30

    The novel isostructural series of phases RMgSn{sub 2} (R = Y, La-Nd, Sm, Gd-Tm, Lu) is presented. They were prepared by direct synthesis in an induction furnace and subsequently annealed at 500 C. Their crystal structures were determined through single-crystal X-ray diffraction analysis of the Ce representative [I anti 42m, tI32-LaMgSn{sub 2}, Z = 8, a = 0.82863(3) nm, c = 1.23129(5) nm] and confirmed by powder X-ray diffraction analysis of the other members of the series. Rietveld refinements were also performed on the homologues with R = Pr, Tm, and Y. The title phases show a unique space distribution of atoms, characterized by the presence of a Sn-Sn dumbbell distanced at around 0.29 nm. Their structures are related to those of a few binary AeTt{sub 3} (Ae = alkaline earth; Tt = Si, Ge; I4/mmm, tI32-YbSi{sub 3}) compounds that are stable at high pressure, characterized by a more complex 3D covalently bonded Tt network. Compounds CeMgSn{sub 2} and TbMgSn{sub 2} were magnetically characterized; they show paramagnetic behavior with the presence of ferromagnetic interactions, more pronounced in the case of TbMgSn{sub 2}, as suggested by the Curie-Weiss temperatures, determined in the high-temperature range, of 0.96 and 27.6 K for CeMgSn{sub 2} and TbMgSn{sub 2}, respectively. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  16. Synthesis, microstructural and electrical characterization of ceramic compounds based on strontium and calcium titanates and iron-oxide

    International Nuclear Information System (INIS)

    Carmo, Joao Roberto do

    2011-01-01

    Ca x Sr 1-x Ti 1-y Fe y O 3- δ, X = 0, 0.5 and 1.0, y = 0 and 0.35, ceramic compounds were synthesized by reactive solid state synthesis of CaCO 3 , SrCO 3 , TiO 2 and Fe 2 O 3 , and by the polymeric precursor technique. The ceramic powders were evaluated by thermogravimetry and differential thermal analysis, X-ray diffraction and scanning electron microscopy. Sintered ceramic pellets were analyzed by X-ray diffraction, scanning electron microscopy, scanning probe microscopy and impedance spectroscopy. The electromotive force resulting from the exposing the pellets to partial pressure de oxygen in the ∼50 ppm in the 600-1100 ℃ range was monitored using an experimental setup consisting of an oxygen electrochemical pump with yttria-stabilized zirconia transducer and sensor. Rietveld analysis of the X-ray data allowed for determining the crystalline structures: cubic perovskite (y = 0) and orthorhombic perovskite (y ≠ 0). The electrical conductivity was determined by the two probe impedance spectroscopy measurements in the 5 Hz-13 MHz frequency range from room temperature to approximately 200 ℃. The deconvolution of the [-Z ( ω) x Z'(ω)] impedance diagrams in the 300 < T(K) < 500 range shows two semicircles due to intragranular (bulk) and intergranular (grain boundary) contributions to the electrical resistivity. Sintered pellets using powders prepared by the ceramic route present higher inter- and intragranular resistivity values than pellets prepared with chemically synthesized powders. The emf signal under exposure oxygen shows that these compounds may be used in oxygen sensing devices in the 600 - 1100 ℃ range. Scanning probe microscopy topographic analysis of the polished and thermally etched surfaces of the pellets gave details of grain morphology, showing that pellets prepared with powders synthesized by the chemical route are less porous than the ones obtained by the ceramic route. These results are in agreement with the impedance spectroscopy

  17. Synthesis and reactivity of single-phase Be{sub 17}Ti{sub 2} intermetallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jae-Hwan, E-mail: kim.jaehwan@jaea.go.jp [Breeding Functional Materials Development Group, Sector of Fusion Research and Development, Japan Atomic Energy Agency (Japan); Iwakiri, Hirotomo; Furugen, Tatsuaki [Faculty of Education Elementary and Secondary School Teacher Training Program, University of the Ryukyus, Okinawa (Japan); Nakamichi, Masaru [Breeding Functional Materials Development Group, Sector of Fusion Research and Development, Japan Atomic Energy Agency (Japan)

    2016-01-15

    Highlights: • Preliminary synthesis of single-phase Be{sub 17}Ti{sub 2} was succeeded. • Reactivity difference between beryllium and beryllides may be caused by a lattice strain. • Oxidation of Be{sub 17}Ti{sub 2} at high temperatures results in the formation of TiO{sub 2}. • Simulation results reveal that a stable site for hydrogen at the center of tetrahedron exists. - Abstract: To investigate feasibility for application of Be{sub 17}Ti{sub 2} as a neutron multiplier as well as a refractory material, single-phase Be{sub 17}Ti{sub 2} intermetallic compounds were synthesized using an annealing heat treatment of the starting powder and a plasma sintering method. Scanning electron microscopic observations and X-ray diffraction measurements reveal that the single-phase Be{sub 17}Ti{sub 2} compounds were successfully synthesized. We examined the reactivity of Be{sub 17}Ti{sub 2} with 1% H{sub 2}O and discovered that a larger stoichiometric amount of Ti resulted in the formation of TiO{sub 2} on the surface at high temperatures. This oxidation may also contribute to an increase in both weight gain and generation of H{sub 2}. This suggests that the formation of the Ti-depleted Be{sub 17}Ti{sub 2−x} layer as a result of oxidation facilitates an increased reactivity with H{sub 2}O. To evaluate the safety aspects of Be{sub 17}Ti{sub 2}, we also investigated the hydrogen positions and solution energies based on the first principle. The calculations reveal that there are 10 theoretical sites, where 9 of these sites have hydrogen solution energies with a positive value (endothermic) and 1 site located at the center of a tetrahedron comprising two Be and two Ti atoms gives a negative value (exothermic).

  18. Climate and Land Use Change Effects on Ecological Resources in Three Watersheds: A Synthesis Report (Final Report)

    Science.gov (United States)

    EPA announced the availability of the final report, Climate and Land-Use Change Effects on Ecological Resources in Three Watersheds: A Synthesis Report. This report provides a summary of climate change impacts to selected watersheds and recommendations for how to improv...

  19. Data collection from energy certificates. Experiences and analysis. Synthesis report

    Energy Technology Data Exchange (ETDEWEB)

    Loga, Tobias; Diefenbach, Nikolaus (eds.); Popiolek, Malgorzata; Panek, Aleksander [Narodowa Agencja Poszanowania Energii S.A. (NAPE), Warsaw (Poland); Cohen, Robert [Energy for Sustainable Development Ltd (ESD), Overmoor (GB)] (and others)

    2008-03-15

    Apart from the described bottom-up approach DATAMINE also aims at drawing general conclu-sions concerning monitoring with the help of energy certificates. Of course 12 projects simultane-ously being carried out in 12 EU countries bring up the question if there is a way for a common analysis of the collected data or at least for a common understanding of the data from different projects. Against that background a harmonised data structure with 255 data fields was defined. The ''philosophy'' of this approach was as follows: Each project partner could use his own data structure and carry out his analysis in an individual way according to the objectives and conditions of his individual model project. But at the end he had to translate his data base in the harmonised data structure and to deliver it to the project coordinator IWU who collect all data in a common evaluation data base. This will make possible a cross-country comparison of the collected data - taking into consideration that because of the different types of energy certificates neither all data fields of the data structure can be filled in by the model projects nor will a comparison of all model projects be possible. So the harmonised data structure can be seen as a simplified ''common lan-guage'' that facilitates an understanding of data bases from different projects. A detailed descrip-tion of the data structure among with other general results from the first DATAMINE workpackages which were carried out before the model projects is given in the DATAMINE synthesis report ''Con-cepts for Data Collection and Analysis'' from December 2006 which is also available on the project website. (orig.)

  20. Synthesis and in vitro antimalarial activity of a series of bistriazine compounds / Marnitz Tobias Verwey.

    OpenAIRE

    Verwey, Marnitz Tobias

    2012-01-01

    Malaria persists to proliferate as an economic and social burden in the developing countries despite of a 17% decrease in the estimated number mortalities as reported by the World Health Organization in 2011. In the past decade the annually estimated number of malaria cases has never gone under 216 million, resulting in the mortality rate of more than 8,3 million people, 655 000 in 2011. This worldwide disease is endemic in 109 countries, is dominant in sub-Saharan Africa with 91% of reported...

  1. Compound-complex odontoma: A case report of a rare variant

    Directory of Open Access Journals (Sweden)

    Nishath Khanum

    2014-01-01

    Full Text Available The odontoma is a benign tumor containing all the various component tissues of the teeth. It is the most common odontogenic tumor representing 67% of all odontogenic tumors. Odontomas are considered to be developmental anomalies (hamartomas rather than true neoplasms. Based on the degree of morphodifferentiation or on the basis of their resemblance to normal teeth, they are divided into compound and complex odontomas. The compound odontoma is composed of multiple, small tooth-like structures. The complex odontoma consists of a conglomerate mass of enamel and dentin, which bears no anatomic resemblance to a tooth. They are usually diagnosed on routine radiological examinations in the second decade of life and are often slow growing and non-aggressive in nature. Here, we report a case of rare, unusually large, compound-complex odontoma, located in the left anterior maxilla of a 13-year-old male patient.

  2. Synthesis, structure and complex forming ability of phosphorylated derivatives of heterocyclic compounds

    International Nuclear Information System (INIS)

    Babaev, B.N.

    2004-01-01

    Full text: The derivatives of acids of phosphorus, due to variety of properties, are a subject of numerous researches. Now it is known, that the derivatives of acids of phosphorus apart from insect, neurotoxic, antienzym and other kinds of physiological activity have also complex forming properties. As extra gents of noble metals particularly are analyzed by the derivatives of dithio phosphor of acids although organ phosphorus compounds with one nuclear of sulfur make extraction properties. Therefore, with the purpose of detection of effective extra gents of ions of argentum the phosphorylated derivatives of heterogeneous ring compounds were synthesized: Ph(RO)P(O)Cl + HOCH(CH 3 )CH 2 -R ' -> Ph(RO)P(O)OCH(CH 3 )CH 2 -R ' + HCl. R C 2 H 5 - C 6 H 13 , R ' = a piperidine, morpholine, anabasine Structure of the obtained connections is confirmed by the results IR -, Pm- and mass- spectrometry. In an IR-spectrum O-hexyl-O - [piperidynoisopropyl] phenylphosphonate has lines of absorption bands of the following functional groups (ν, cm -1 ): (P-O-C 5 H 11 ) 990-1000, (P = 0) 1260, (P-C 6 H 5 )1450, (C-N in cycle) 1550. In an IR-spectrum O-pentyl-[anabasinoisopropyl] phenylphosphonate has lines of absorption bands of the following functional groups (ν, cm -1 ): (P-O-C 5 H 11 ) 990-1000, (P = 0) 1250, (P-C 6 H 5 )1450, (C-N in cycle) 1550. In a spectrum PMR about O-pentyl-[morpholyniisopropyl] phenylphosphonate in the field of a weak field (7, 18-7, 29 p.m.) the multiplet about tones of phenyl group is watched. Me tin proton resonate at 4,66 m.d.as multiplet The signals O-CH 2 of protons of morpholinic cycle appear at 3,58 m.d.. 4H) by the way of triplet. The protons N-CH 2 (6H) three methylene groups will derivate a composite multiple at 2, 10-2, 70 m.d.. The signal of metil group's protons (3H) is watched at 1,15m.d.as doublet. Final metal group resonates at 0, 87 p.m. Six of C-CH 2 of groups give a complex signal in the field of 1, 2-1, 8 m.d. The obtained connections

  3. Synthesis and characterization of a new class of energetic compounds - ammonium nitriminotetrazolates

    Energy Technology Data Exchange (ETDEWEB)

    Klapoetke, Thomas M.; Laub, Hans A.; Stierstorfer, Joerg [Chair of Inorganic Chemistry, Energetic Materials Research, Ludwig-Maximilian University of Munich, Department Chemistry and Biochemistry, Munich (Germany)

    2008-12-15

    1-Methyl-5-nitriminotetrazole (1) and 2-methyl-5-nitraminotetrazole (2) obtained by nitration of 1-methyl-5-aminotetrazole (3) and 2-methyl-5-aminotetrazole (4) were deprotonated using aqueous ammonia solution yielding the energetic compounds, ammonium 1-methyl-5-nitriminotetrazolate (5) and ammonium 2-methyl-5-nitriminotetrazolate (6). The nitrogen-rich salts were tested and characterized comprehensively using vibrational spectroscopy (Infrared (IR) and Raman), multinuclear ({sup 1}H, {sup 13}C, {sup 14}N, and {sup 15}N) NMR spectroscopy, and elemental analysis. The molecular structures in the crystalline state were determined using low temperature single crystal X-ray diffraction. The thermal behavior and the decompositions were investigated using differential scanning calorimetry (DSC) and gas IR spectroscopy. The heats of formation were calculated using bomb calorimetric measurements. In addition, the relevant detonation parameters, like the detonation pressure and velocity of detonation were calculated using the software EXPLO5 outperforming the values of TNT. Last but not least the sensitivities were determined using BAM methods showing moderate values against impact and friction (drophammer and friction tester) and the long-term stabilities were tested using Flexy Thermal safety calorimetry (TSC). X-ray crystallography: 5: monoclinic, P2{sub 1}/c, a=370.06(2) pm, b=2079.06(9) pm, c=859.69(5) pm, {beta}=99.120(5) , V=65306(6) pm{sup 3}, Z=4, {rho}{sub calc}=1.639 g cm{sup -3}; 6: monoclinic, P2{sub 1}, a=365.39(2) pm, b= 788.82(5) pm, c=1124.95(7) pm, {beta}=91.818(6), V=32408(3) pm{sup 3}, Z=2, {rho}{sub calc}=1.651 g cm{sup -3}. (Abstract Copyright [2008], Wiley Periodicals, Inc.)

  4. Synthesis and photoluminescence of Ca-(Sn,Ti)-Si-O compounds

    International Nuclear Information System (INIS)

    Abe, Shunsuke; Yamane, Hisanori; Yoshida, Hisashi

    2010-01-01

    The phase relation of the compounds prepared in the CaO-SnO 2 -SiO 2 system at 1673 K and in the CaO-TiO 2 -SiO 2 system at 1573 K was investigated in order to explore new Ti 4+ -activated stannate phosphors. Solid solutions of Ca(Sn 1-x Ti x )SiO 5 and Ca 3 (Sn 1-y Ti y )Si 2 O 9 were synthesized at x = 0-1.0 and y = 0-0.10, respectively, and their crystal structures were analyzed by powder X-ray diffraction. Photoluminescence of these solid solutions was observed in a broad range of a visible light wavelength region under ultraviolet (UV) light excitation. The peaks of the emission band of Ca(Sn 0.97 Ti 0.03 )SiO 5 and Ca 3 (Sn 0.925 Ti 0.075 )Si 2 O 9 were at 510 nm under excitation of 252 nm and at 534 nm under excitation of 258 nm, respectively. The absorption edges estimated by the diffuse reflectance spectra were at 300 nm (4.1 eV) for CaSnSiO 5 and at 270 nm (4.6 eV) for Ca 3 SnSi 2 O 9 , suggesting that the excitation levels in Ca(Sn 1-x Ti x )SiO 5 were above the band gap of the host, although the levels in Ca 3 (Sn 1-y Ti y )Si 2 O 9 were within the band gap and near the conduction band edge.

  5. AuPd Bimetallic Nanocrystals Embedded in Magnetic Halloysite Nanotubes: Facile Synthesis and Catalytic Reduction of Nitroaromatic Compounds

    Directory of Open Access Journals (Sweden)

    Lei Jia

    2017-10-01

    Full Text Available In this research, a facile and effective approach was developed for the preparation of well-designed AuPd alloyed catalysts supported on magnetic halloysite nanotubes (HNTs@Fe3O4@AuPd. The microstructure and the magnetic properties of HNTs@Fe3O4@AuPd were confirmed by transmission electron microscopy (TEM, high resolution TEM (HRTEM, energy-dispersive X-ray spectroscopy (EDS, and vibrating sample magnetometry (VSM analyses. The catalysts, fabricated by a cheap, environmentally friendly, and simple surfactant-free formation process, exhibited high activities during the reduction of 4-nitrophenol and various other nitroaromatic compounds. Moreover, the catalytic activities of the HNTs@Fe3O4@AuPd nanocatalysts were tunable via adjusting the atomic ratio of AuPd during the synthesis. As compared with the monometallic nanocatalysts (HNTs@Fe3O4@Au and HNTs@Fe3O4@Pd, the bimetallic alloyed HNTs@Fe3O4@AuPd nanocatalysts exhibited excellent catalytic activities toward the reduction of 4-nitrophenol (4-NP to 4-aminophenol. Furthermore, the as-obtained HNTs@Fe3O4@AuPd can be recycled several times, while retaining its functionality due to the stability and magnetic separation property.

  6. Synthesis of CdTe QDs/single-walled aluminosilicate nanotubes hybrid compound and their antimicrobial activity on bacteria

    Science.gov (United States)

    Geraldo, Daniela A.; Arancibia-Miranda, Nicolás; Villagra, Nicolás A.; Mora, Guido C.; Arratia-Perez, Ramiro

    2012-12-01

    The use of molecular conjugates of quantum dots (nanocrystalline fluorophores) for biological purposes have received much attention due to their improved biological activity. However, relatively, little is known about the synthesis and application of aluminosilicate nanotubes decorated with quantum dots (QDs) for imaging and treatment of pathogenic bacteria. This paper describes for a first time, the use of single-walled aluminosilicate nanotubes (SWNT) (imogolite) as a one-dimensional template for the in situ growth of mercaptopropionic acid-capped CdTe QDs. This new nanohybrid hydrogel was synthesized by a simple reaction pathway and their enhanced optical properties were monitored by fluorescence and UV-Vis spectroscopy, confirming that the use of these nanotubes favors the confinement effects of net CdTe QDs. In addition, studies of FT-IR spectroscopy and transmission electron microscopy confirmed the non-covalent functionalization of SWNT. Finally, the antimicrobial activity of SWNT coated with CdTe QDs toward three opportunistic multi-resistant pathogens such as Salmonella typhimurium, Acinetobacter baumannii, and Pseudomonas aeruginosa were tested. Growth inhibition tests were conducted by exposing growing bacteria to CdTe QDs/SWNT hybrid compound showing that the new nano-structured composite is a potential antimicrobial agent for heavy metal-resistant bacteria.

  7. Synthesis of CdTe QDs/single-walled aluminosilicate nanotubes hybrid compound and their antimicrobial activity on bacteria

    Energy Technology Data Exchange (ETDEWEB)

    Geraldo, Daniela A., E-mail: daniela.geraldo@unab.cl [Universidad Andres Bello, Departamento de Ciencias Quimicas (Chile); Arancibia-Miranda, Nicolas [CEDENNA, Center for the Development of Nanoscience and Nanotechnology (Chile); Villagra, Nicolas A. [Universidad Andres Bello, Laboratorio de Microbiologia, Facultad de Ciencias Biologicas (Chile); Mora, Guido C. [Universidad Andres Bello, Unidad de Microbiologia, Facultad de Medicina (Chile); Arratia-Perez, Ramiro [Universidad Andres Bello, Departamento de Ciencias Quimicas (Chile)

    2012-12-15

    The use of molecular conjugates of quantum dots (nanocrystalline fluorophores) for biological purposes have received much attention due to their improved biological activity. However, relatively, little is known about the synthesis and application of aluminosilicate nanotubes decorated with quantum dots (QDs) for imaging and treatment of pathogenic bacteria. This paper describes for a first time, the use of single-walled aluminosilicate nanotubes (SWNT) (imogolite) as a one-dimensional template for the in situ growth of mercaptopropionic acid-capped CdTe QDs. This new nanohybrid hydrogel was synthesized by a simple reaction pathway and their enhanced optical properties were monitored by fluorescence and UV-Vis spectroscopy, confirming that the use of these nanotubes favors the confinement effects of net CdTe QDs. In addition, studies of FT-IR spectroscopy and transmission electron microscopy confirmed the non-covalent functionalization of SWNT. Finally, the antimicrobial activity of SWNT coated with CdTe QDs toward three opportunistic multi-resistant pathogens such as Salmonella typhimurium, Acinetobacter baumannii, and Pseudomonas aeruginosa were tested. Growth inhibition tests were conducted by exposing growing bacteria to CdTe QDs/SWNT hybrid compound showing that the new nano-structured composite is a potential antimicrobial agent for heavy metal-resistant bacteria.

  8. Synthesis of CdTe QDs/single-walled aluminosilicate nanotubes hybrid compound and their antimicrobial activity on bacteria

    International Nuclear Information System (INIS)

    Geraldo, Daniela A.; Arancibia-Miranda, Nicolás; Villagra, Nicolás A.; Mora, Guido C.; Arratia-Perez, Ramiro

    2012-01-01

    The use of molecular conjugates of quantum dots (nanocrystalline fluorophores) for biological purposes have received much attention due to their improved biological activity. However, relatively, little is known about the synthesis and application of aluminosilicate nanotubes decorated with quantum dots (QDs) for imaging and treatment of pathogenic bacteria. This paper describes for a first time, the use of single-walled aluminosilicate nanotubes (SWNT) (imogolite) as a one-dimensional template for the in situ growth of mercaptopropionic acid-capped CdTe QDs. This new nanohybrid hydrogel was synthesized by a simple reaction pathway and their enhanced optical properties were monitored by fluorescence and UV–Vis spectroscopy, confirming that the use of these nanotubes favors the confinement effects of net CdTe QDs. In addition, studies of FT-IR spectroscopy and transmission electron microscopy confirmed the non-covalent functionalization of SWNT. Finally, the antimicrobial activity of SWNT coated with CdTe QDs toward three opportunistic multi-resistant pathogens such as Salmonella typhimurium, Acinetobacter baumannii, and Pseudomonas aeruginosa were tested. Growth inhibition tests were conducted by exposing growing bacteria to CdTe QDs/SWNT hybrid compound showing that the new nano-structured composite is a potential antimicrobial agent for heavy metal-resistant bacteria.

  9. A facile synthesis of new 5-aryl-thiophenes bearing sulfonamide moiety via Pd(0-catalyzed Suzuki–Miyaura cross coupling reactions and 5-bromothiophene-2-acetamide: As potent urease inhibitor, antibacterial agent and hemolytically active compounds

    Directory of Open Access Journals (Sweden)

    Mnaza Noreen

    2017-01-01

    Full Text Available The present study reports a convenient approach for the synthesis of thiophene sulfonamide derivatives (3a–3k via Suzuki cross coupling reaction. This method of synthesis involved the reactions of various aryl boronic acids and esters with 5-bromthiophene-2-sulfonamide (2 under mild and suitable temperature conditions. The compounds synthesized in the present study were subjected to urease inhibition and hemolytic activities. The substitution pattern and the electronic effects of different functional groups (i.e., Cl, CH3, OCH3, F etc. available on the aromatic ring are found to have significant effect on the overall results. The compound 5-Phenylthiophene-2-sulfonamide 3a showed the highest urease inhibition activity with IC50 value ∼ 30.8 μg/mL compared with the thiourea (used as standard having IC50 value ∼ 43 μg/mL. Moreover, almost all of the compounds were examined for the hemolytic activity against triton X-100 with positive results obtained in most of the cases. In addition, the antibacterial activities of the derivatives of 5-arylthiophene-2-sulfonamide and 5-bromothiophene-2-acetamide were also investigated during the course of the study.

  10. Palladium-catalysed cyclisation of alkenols: Synthesis of oxaheterocycles as core intermediates of natural compounds

    Directory of Open Access Journals (Sweden)

    Miroslav Palík

    2014-09-01

    Full Text Available The study of Pd-catalysed cyclisation reactions of alkenols using different catalytic systems is reported. These transformations affect the stereoselective construction of mono- and/or bicyclic oxaheterocyclic derivatives depending on a starting alkenol. The substrate scope and proposed mechanism of Pd-catalysed cyclisation reactions are also discussed. Moreover, the diastereoselective Pd-catalysed cyclisation of appropriate alkenols to tetrahydrofurans and subsequent cyclisation provided properly substituted 2,5-dioxabicyclo[2.2.1]heptane and 2,6-dioxabicyclo[3.2.1]octane, respectively. Such bicyclic ring subunits are found in many natural products including ocellenynes and aurovertines.

  11. Synthesis, molecular structure and magnetic properties of a rhenium(IV) compound with catechol

    Science.gov (United States)

    Cuevas, A.; Geis, L.; Pintos, V.; Chiozzone, R.; Sanchíz, J.; Hummert, M.; Schumann, H.; Kremer, C.

    2009-03-01

    A novel Re(IV) complex containing catechol as ligand has been prepared and characterized. The crystal structure of (HNEt 3)(NBu 4)[ReCl 4(cat)]·H 2cat was determined. The rhenium ion presents a distorted octahedral geometry, being bonded to a bidentate catecholate group and four chloride anions. The magnetic properties of the complex were studied, a /2 D/ (the energy gap between ±3/2 and ±1/2 Kramers doublets) value of 190(10) cm -1. This is the largest /2 D/ value reported for Re(IV) up to now.

  12. Enantioselective Synthesis of α-Mercapto-β-amino Esters via Rh(II)/Chiral Phosphoric Acid-Cocatalyzed Three-Component Reaction of Diazo Compounds, Thiols, and Imines.

    Science.gov (United States)

    Xiao, Guolan; Ma, Chaoqun; Xing, Dong; Hu, Wenhao

    2016-12-02

    An enantioselective method for the synthesis of α-mercapto-β-amino esters has been developed via a rhodium(II)/chiral phosphoric acid-cocatalyzed three-component reaction of diazo compounds, thiols, and imines. This transformation is proposed to proceed through enantioselective trapping of the sulfonium ylide intermediate generated in situ from the diazo compound and thiol by the phosphoric acid-activated imine. With this method, a series of α-mercapto-β-amino esters were obtained in good yields with moderate to good stereoselectivities.

  13. Synthesis Reports on Intensive Academic and Behavioral Intervention: Annotated Bibliography

    Science.gov (United States)

    Casasanto-Ferro, Julia; Gandhi, Allison; Shami, Muna; Danielson, Lou; Bzura, Robin

    2015-01-01

    This document is the first in a series of products that will be developed under the knowledge production service area of the National Center on Intensive Intervention (NCII), with the purpose of describing and communicating the results of research on intensive intervention. The synthesis studies summarized here, and others to be identified, will…

  14. Transition metal-catalyzed carbocyclization of nitrogen and oxygen-tethered 1,n-enynes and diynes: synthesis of five or six-membered heterocyclic compounds.

    Science.gov (United States)

    Zhang, Di-Han; Zhang, Zhen; Shi, Min

    2012-10-25

    Cycloisomerization of 1,n-enynes and diynes is a powerful method in organic synthesis to access heterocyclic compounds and has drawn increasing attention from organic chemists. In this paper, we attempted to summarize our recent results on the transition metal-catalyzed cycloisomerization to synthesize five or six-membered heterocyclic compounds using 1,n-enynes and diynes having a propargylic ester moiety. First, we will describe the synthesis of 2,3-disubstituted 3-pyrrolines via gold catalyzed cycloisomerization of 1,6-diynes. In addition, we will also disclose a novel silver catalyzed tandem 1,3-acyloxy migration/Mannich-type addition/elimination of the sulfonyl group of N-sulfonylhydrazone-propargylic esters to 5,6-dihydropyridazin-4-one derivatives. Furthermore, we will introduce three interesting examples of the synthesis of bicyclic compounds via titanium or rhodium catalyzed carbocyclization of enynes. In this context, we have presented that 1,n-enynes and diynes containing propargylic esters are highly reactive and useful starting materials for the cycloisomerization catalyzed by a transition metal catalyst.

  15. Ectopic Compound Odontoma in the Buccal Mucosa: Report of a Rare Case

    Directory of Open Access Journals (Sweden)

    Aparna Venigalla

    2015-01-01

    Full Text Available Eruption of tooth into extraosseous locations is an extremely rare condition. We report a case of a six-year-old girl child with tooth-like structure erupting from the right buccal mucosa. Clinical, radiographic, and histopathologic examination suggested the diagnosis of compound odontoma. Very few cases have been reported so far, where tooth has been located completely in the soft tissue and a variety of names have been used for that condition. A brief review of the literature and the ambiguity in naming the situation is discussed.

  16. Development and optimisation of synthesis, characterisation and physical properties of solid materials for strip conductors; purpose oriented synthesis of novel systems. Final report

    International Nuclear Information System (INIS)

    Guenther, W.; Schoellhorn, R.

    1995-06-01

    The project reported is part of studies into the performance of HTSC, and was responsible for the following essential tasks: synthesis, characterisation, and optimisation of oxocuprates of the type (RE)Ba 2 Cu 3 O 7 , examination of the relevant corrosion processes and reactivity of the phases, and synthesis of novel systems guided by special model concepts, applying kinetics-controlled low-temperature synthesis. (orig./MM) [de

  17. A novel process for methanol synthesis. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Tierney, J.W.; Wender, I.

    1994-01-25

    The use of methanol (MeOH) as a fuel additive and in MTBE production has renewed interest in the search for improved MeOH processes. Commercial processes are characterized by high pressures and temperatures with low per pass conversion (10--12%). Efforts are underway to find improved MeOH synthesis processes. A slurry phase ``concurrent`` synthesis of MeOH/methyl formate (MeF) which operates under relatively mild conditions (100{degrees}C lower than present commercial processes) was the subject of investigation in this work. Evidence for a reaction scheme involving the carbonylation of MeOH to MeF followed by the hydrogenolysis of MeF to two molecules of MeOH -- the net result being the reaction of H{sub 2} with CO to give MeOH via MeF, is presented. Up to 90% per pass conversion and 98% selectivity to methanol at rates comparable to commercial processes have been obtained in spite of the presence of as much as 10,000 ppM CO{sub 2} and 3000 ppM H{sub 2}O in the gas and liquid respectively. The effect of process parameters such as temperature, pressure, H{sub 2}/CO ratio in the reactor, flow rate and catalyst loading were also investigated. The use of temperatures above 170{degrees}C at a pressure of 50 atm results in MeF being the limiting reactant. Small amounts of CH{sub 4} are also formed. Significant MeOH synthesis rates at a pressure in the range of 40--50 atm makes possible the elimination of an upstream shift reactor and the use of an air-blown syngas generator. The nature of the catalysts was studied and correlated with the behavior of the various species in the concurrent synthesis.

  18. Synthesis and antimicrobial activity of new heterocyclic compounds containing thieno[3,2-c] coumarin and pyrazolo[4,3-c] coumarin frameworks.

    Science.gov (United States)

    El-Dean, Adel M Kamal; Zaki, Remon M; Geies, Ahmed A; Radwan, Shaban M; Tolba, Mahmoud S

    2013-01-01

    Reaction of 4-chlorocoumarin-3-carbonitrile with ethyl thioglycolate and ethyl glycinate hydrochloride leads to a series of title products. Hydrazinolysis of amino thienocoumarin carboxylate afforded the hydrazine derivative which underwent various reactions to build new heterocyclic rings containing thienocoumarin moiety. Chloro acetylation of aminoester compound afforded the chloro acetyl amino which underwent nucleophilic substitution reactions various amines. The following treatment with formaldehyde under Mannich conditions afforded the corresponding imidazo derivatives. Reaction of Ghloroacetylamino with potassium thiocyanate yielded ethylpyrimidothieno coumarin sulfanylacetate which was used as a versatile precursor for synthesis of other heterocycles. On the other hand, reaction of chloro coumarin carbo nitrile with hydrazine gave the aminopyrazolocoumaine which reacted with bifunctionally compounds to give the substituted pyrimido derivatives. Diazotization and coupling of aminopyrazole with ethylcyanoacetate yielded ethylaminotriazinopyrazolocoumarine carboxylate. Several of the compounds obtained demonstrated considerable antifungal and antibacterial activity in the in vitro test systems.

  19. Comprehensive and Facile Synthesis of Some Functionalized Bis-Heterocyclic Compounds Containing a Thieno[2,3-b]thiophene Motif

    Science.gov (United States)

    Mabkhot, Yahia N.; Barakat, Assem; Al-Majid, Abdullah M.; Alshahrani, Saeed A.

    2012-01-01

    A comprehensive and facile method for the synthesis of new functionalized bis-heterocyclic compounds containing a thieno[2,3-b]thiophene motif is described. The hitherto unknown bis-pyrazolothieno[2,3-b]thiophene derivatives 2a–c, bis-pyridazin othieno[2,3-b]thiophene derivatives 4, bis-pyridinothieno[2,3-b]thiophene derivatives 6a,b, and to an analogous bis-pyridinothieno[2,3-b]thiophene nitrile derivatives 7 are obtained. Additionally, the novel bis-pyradazinonothieno[2,3-b]thiophene derivatives 9, and nicotinic acid derivatives 10, 11 are obtained via bis-dienamide 8. The structures of all newly synthesized compounds have been elucidated by 1H, 13C NMR, GCMS, and IR spectrometry. These compounds represent a new class of sulfur and Nitrogen containing heterocycles that should also be of interest as new materials. PMID:22408452

  20. Reviews of the Norwegian climate policy - a synthesis of four international reports

    Energy Technology Data Exchange (ETDEWEB)

    Alfsen, Knut H.; Bjoernaes, Christian; Reed, Eilif Ursin

    2011-07-01

    The report is a synthesis of four reviews on the Norwegian climate policy: 1. Environmental performance review of Norway, OECD 2011 2. Energy Policies of IEA Countries, Norway, IEA 2011 3. Economic Survey of Norway, OECD 2010 4. Report on the in-depth review of the fifth national communication of Norway.(auth)

  1. XXXII Zvenigorod conference on the plasma physics and controlled thermonuclear synthesis. Theses of reports

    International Nuclear Information System (INIS)

    2005-01-01

    Theses of the reports, presented at the XXXII International conference on the plasma physics and controlled thermonuclear synthesis (Zvenigorod, 14-18 February 2005) are published. The total number of reports is 322, including 16 summarizing ones. The other reports are distributed by the following sections: magnetic confinement of high-temperature plasma (88 reports), inertial thermonuclear fusion (65), physical processes in low-temperature plasma (99) and physical bases of the plasma and beam technologies (54) [ru

  2. Synthesis and Characterization of a New Modification of the Quasi-Low-Dimensional Compound KMo 4O 6

    Science.gov (United States)

    Ramanujachary, K. V.; Greenblatt, D. M.; Jones, E. B.; McCarroll, W. H.

    1993-01-01

    Prismatic single crystals, up to 3 mm in length, of a third modification of KMo4O6 have been prepared by electrolysis of a melt with a high ratio of K2MoO4 to MoO3. Single-crystal X-ray diffraction analysis shows that the structure conforms more closely than the other two modifications to that reported originally for NaMo4O6. When current is passed parallel to the tetragonal c axis (i.e., parallel to the trans-edge-sharing chains of Mo6 octahedra) the compound displays metallic conductivity down to 100 K, where a broad transition to semiconducting behavior occurs. If the current is passed perpendicular to the c axis the conductivity is approximately a factor of 5 lower. Magnetic susceptibility measurements on a randomly oriented collection of crystals showed Pauli paramagnetic behavior with a small Curie tail at low temperatures.

  3. Radiolysis compounds in bacon and chicken. Final report 18 Sep 81-20 Sep 82

    International Nuclear Information System (INIS)

    Merritt, C. Jr.

    1984-01-01

    The results of this study are in agreement with the precepts established in studies published previously on beef, chicken, ham, and pork. The radiolysis compounds from bacon, chicken, ham, and pork are comparable in identity and amounts to those found in irradiated beef for comparable compositions and irradiation parameters (temperature, dose, etc.). The results of this study support the conclusions drawn in the CORC report of 'commonality in chemistry, predictability of products, and extrapolation of results.' Consequently, the same conclusions can be drawn concerning the wholesomeness of irradiated bacon, chicken, ham, and pork as for other irradiated meat products of similar composition and irradiation parameters as reported in the FASEB report and its supplements (I and II) on irradiated beef

  4. Indium mediated isoprenylation of carbonyl compounds with 2-bromomethyl-1,3-butadiene: a short synthesis of (±-ipsenol

    Directory of Open Access Journals (Sweden)

    Ceschi Marco A.

    2003-01-01

    Full Text Available Isoprenylation of aldehydes and ketones was directly performed by selective indium insertion on a mixture of 2-bromomethyl-1,3-butadiene and its vinylic isomers in good yields. A short synthesis of (±-ipsenol, an aggregation pheromone of the Ips paraconfusus bark beetle, demonstrates the utility of this method in organic synthesis.

  5. Mesoionic Compounds

    Indian Academy of Sciences (India)

    Organic Chemistry. Kamatak University,. Dharwad. Her research interests are synthesis, reactions and synthetic utility of sydnones. She is currently working on electrochemical and insecticidal/antifungal activities for some of these compounds. Keywords. Aromaticity, mesoionic hetero- cycles, sydnones, tandem re- actions.

  6. Synthesis by plasma and characterization of compounds derived from polyacetylene; Sintesis por plasma y caracterizacion de compuestos derivados del poliacetileno

    Energy Technology Data Exchange (ETDEWEB)

    Vasquez O, M

    2004-07-01

    This work presents a study on, the synthesis by plasma and the characterization of an aliphatic conjugated polymer, polyacetylene-chlorinated (Pac), and two aromatic polymers, Poly pyrrole (P Py-Cl) and Poly thiophene (Pth-Cl) synthesized with chlorine and the electrical conductivity. The last two polymers were synthesized to compare the chlorine-polymer interaction in aliphatic and aromatic polymers synthesized by plasma and their repercussion on the electrical transport of charges in the material. The structure and morphology of the polymers were studied using scanning electron microscopy (Sem), energy dispersive spectroscopy (EDS), infrared spectroscopy (Ft-IR), conductivity analysis and X-Ray photon spectroscopy (XPS). The results showed that Pac is soluble in acetone and other organic solvents, which indicates a low proportion of crosslinking in the polymers. This point is important because the crosslinking reduces the electrical conductivity in the material. The Pac conductivity is in the range of 1 x 10{sup -12} to 6 x 10{sup -4} S/cm in the internal of 35- 90% of relative humidity. A possible mechanism for the transport of electrical charges in Pac is by means of the double and simple conjugated bonds in the polymers. Pth-Cl and P Py-Cl present electric conductivity in the interval of 9 x 10{sup -5} to 1 x 10{sup -2} S/cm and show a great dependence on the relative humidity. The chlorine addition in these polymers was through simultaneous polymerization with chloroform. This last compound can decompose if the energy of the plasma is relatively high, and the fragments can link to the polymer in a hybrid process of copolymerization. An important point of this work is that the polymer is soluble, a difference of the obtained via plasma as the poli aniline, P Py-CI and Pth-Cl both studied in this work. If took in account that the Pac is single the monomer and that P Py-Cl and Pth-CI is affected by the chlorine that modifies the conductivity of the material

  7. Synthesis and characterization of Ge–Cr-based intermetallic compounds: GeCr3, GeCCr3, and GeNCr3

    International Nuclear Information System (INIS)

    Lin, S.; Tong, P.; Wang, B.S.; Huang, Y.N.; Song, W.H.; Sun, Y.P.

    2014-01-01

    Highlights: • Polycrystalline samples of GeCr 3 , GeCCr 3 , and GeNCr 3 are synthesized by using solid state reaction method. • A good quality of our samples is verified by the Rietveld refinement and electrical transport measurement. • We present a comprehensive understanding of physical properties of GeCr 3 , GeCCr 3 , and GeNCr 3 . -- Abstract: We report the synthesis of GeCr 3 , GeCCr 3 , and GeNCr 3 polycrystalline compounds, and present a systematic study of this series by the measurements of X-ray diffraction (XRD), magnetism, electrical/thermal transport, specific heat, and Hall coefficient. Good quality of our samples is verified by quite small value of residual resistivity and considerably large residual resistivity ratio. Based on the Rietveld refinement of XRD data, the crystallographic parameters are obtained, and, correspondingly, the sketches of crystal structure are plotted for all the samples. The ground states of GeCr 3 , GeCCr 3 , and GeNCr 3 are paramagnetic/antiferromagnetic metal, and even a Fermi-liquid behavior is observed in electrical transport at low temperatures. Furthermore, the analysis of the thermal conductivity data suggests the electron thermal conductivity plays a major role in total thermal conductivity for GeCr 3 at low temperatures, while the phonon thermal conductivity is dominant for GeCCr 3 and GeNCr 3 at high temperatures. The negative value of Seebeck coefficient and Hall coefficient indicate that the charge carriers are electron-type for GeCr 3 , GeCCr 3 , and GeNCr 3

  8. Rare earths: preparation of spectro chemically pure standards, study of their carbonates and synthesis of a new compound series - the peroxy carbonates

    International Nuclear Information System (INIS)

    Queiroz, Carlos Alberto da Silva

    1996-05-01

    In this work the following studies are concerned: I) preparation of lanthanum, cerium, praseodymium, neodymium and samarium oxides for use as spectro chemically pure standards; II) behavior of the rare earth (La, Ce, Pr, Nd, Sm) carbonates soluble in ammonium carbonate and mixture of ammonium carbonate/ammonium hydroxide, and III) synthesis and characterization of rare earth peroxy carbonates - a new series of compounds. Data for the synthesis and characterization of the rare earths peroxy carbonates described for the first time in this work are presented and discussed. With the aid of thermal analysis (TG-DTG) the thermal stability and the stoichiometric composition for new compounds were established and a mechanism of thermal decomposition was proposed. The peroxy carbonate was prepared by the addition of hydrogen peroxyde to the complexed soluble rare earths carbonates. These studies included also the determinations of active oxygen, the total rare earth oxide by gravimetry and complexometry and the C, H and N contents by microanalysis. The new compounds were also investigated by infrared spectroscopy. (author)

  9. Synthesis of Ag nanobars in the presence of single-crystal seeds and a bromide compound, and their surface-enhanced Raman scattering (SERS) properties.

    Science.gov (United States)

    Zhang, Qiang; Moran, Christine H; Xia, Xiaohu; Rycenga, Matthew; Li, Naixu; Xia, Younan

    2012-06-19

    This Article describes the synthesis of Ag nanobars with different aspect ratios using a seed-mediated method and evaluation of their use for surface-enhanced Raman scattering (SERS). The formation of Ag nanobars was found to critically depend on the introduction of a bromide compound into the reaction system, with ionic salts being more effective than covalent molecules. We examined single-crystal seeds with both spherical and cubic shapes and found that Ag nanobars grown from spherical seeds had much higher aspect ratios than those grown from cubic seeds. The typical product of a synthesis contained nanocrystals with three different morphologies: nanocubes, nanobars with a square cross section, and nanobars with a rectangular cross section. Their formation can be attributed to the difference in growth rates along the three orthogonal directions. The SERS enhancement factor of the Ag nanobar was found to depend on its aspect ratio, its orientation relative to the laser polarization, and the wavelength of excitation.

  10. Nanoscale Synthesis and Characterization Laboratory Annual Report 2005

    Energy Technology Data Exchange (ETDEWEB)

    Hamza, A V; Lesuer, D R

    2006-01-03

    The Nanoscale Synthesis and Characterization Laboratory's (NSCL) primary mission is to create and advance interdisciplinary research and development opportunities in nanoscience and technology. The initial emphasis of the NSCL has been on development of scientific solutions in support of target fabrication for the NIF laser and other stockpile stewardship experimental platforms. Particular emphasis has been placed on the design and development of innovative new materials and structures for use in these targets. Projects range from the development of new high strength nanocrystalline alloys to graded density materials to high Z nanoporous structures. The NSCL also has a mission to recruit and train personnel for Lab programs such as the National Ignition Facility (NIF), Defense and Nuclear Technologies (DNT), and Nonproliferation, Arms control and International security (NAI). The NSCL continues to attract talented scientists to the Laboratory.

  11. Catalogue of Energy Efficiency Measures for France - Synthesis report

    International Nuclear Information System (INIS)

    2013-10-01

    ADEME wished to learn about existing effective energy efficiency measures implemented outside of France, whether cross-sectoral or targeted at a specific sector (industry, transport, buildings or agriculture). The objective of this survey was to determine whether any of these measures could be applied in France, with the goal of holding down the growth of energy consumption. This survey has led to the writing of a catalog of 53 two-page fact sheets describing the measures identified as interesting for France. These measures were analysed via classic criteria of evaluation such as cost-efficiency or impact, allowing to highlight the most successful measures for the French territory. ADEME presents you a synthesis of this survey in this document

  12. Synthesis of a Novel Energetic Heterocyclic Oxidizer with Higher Energy and Lower Sensitivity Final Report CRADA No. TC02099.0

    Energy Technology Data Exchange (ETDEWEB)

    Pagoria, P. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Racoveanu, A. [Physical Sciences, Inc., Andover, MD (United States)

    2017-09-08

    The project involved the synthesis of 5g of a target energetic compound, 3,4-bis(5-nitro-1,2,5- oxadiazol-4-yl)-1,2,5-oxadiazole-1-oxide (DNTF. The deliverables were the synthesis of 5g of DNTF along with quantities of the precursor compounds. In addition, small-scale safety tests on DNTF were performed, which to confirmed that DNTF has no undesirable safety properties before scaling up the synthesis in Phase II of this project.

  13. Enzymatic synthesis of γ-L-glutamyl-S-allyl-L-cysteine, a naturally occurring organosulfur compound from garlic, by Bacillus licheniformis γ-glutamyltranspeptidase.

    Science.gov (United States)

    Chen, Yi-Yu; Lo, Huei-Fen; Wang, Tzu-Fan; Lin, Min-Guan; Lin, Long-Liu; Chi, Meng-Chun

    2015-01-01

    In the practical application of Bacillus licheniformis γ-glutamyltranspeptidase (BlGGT), we describe a straightforward enzymatic synthesis of γ-L-glutamyl-S-allyl-L-cysteine (GSAC), a naturally occurring organosulfur compound found in garlic, based on a transpeptidation reaction involving glutamine as the γ-glutamyl donor and S-allyl-L-cysteine as the acceptor. With the help of thin layer chromatography technique and computer-assisted image analysis, we performed the quantitative determination of GSAC. The optimum conditions for a biocatalyzed synthesis of GSAC were 200 mM glutamine, 200 mM S-allyl-L-cysteine, 50 mM Tris-HCl buffer (pH 9.0), and BlGGT at a final concentration of 1.0 U/mL. After a 15-h incubation of the reaction mixture at 60 °C, the GSAC yield for the free and immobilized enzymes was 19.3% and 18.3%, respectively. The enzymatic synthesis of GSAC was repeated under optimal conditions at 1-mmol preparative level. The reaction products together with the commercially available GSAC were further subjected to an ESI-MS/MS analysis. A significant signal with m/z of 291.1 and the protonated fragments at m/z of 73.0, 130.1, 145.0, and 162.1 were observed in the positive ESI-MS/MS spectrum, which is consistent with those of the standard compound. These results confirm the successful synthesis of GSAC from glutamine and S-allyl-L-cysteine by BlGGT. Copyright © 2015 Elsevier Inc. All rights reserved.

  14. Stereodivergent Synthesis of N-Heterocycles by Catalyst-Controlled, Activity-Directed Tandem Annulation of Diazo Compounds with Amino Alkynes.

    Science.gov (United States)

    Liu, Kai; Zhu, Chenghao; Min, Junxiang; Peng, Shiyong; Xu, Guangyang; Sun, Jiangtao

    2015-10-26

    A stereodivergent synthesis of five-membered N-heterocycles, such as 2,3-dihydropyrroles, and 2-methylene and 3-methylene pyrrolidines, has been developed through a tandem annulation of amino alkynes with diazo compounds and involves the trapping of in situ formed intermediates. Mechanistic investigations indicate that the copper-catalyzed tandem annulations proceed by allenoate formation and subsequent intramolecular hydroamination. In contrast, the rhodium-catalyzed protocol features a carbenoid insertion into the NH bond and subsequent Conia-ene cyclization. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Synthesis of deuterium-labelled compounds for FOTEK project; Syntese af deuterium-maerkede forbindelser til FOeTEK projektet

    Energy Technology Data Exchange (ETDEWEB)

    Joergensen, O.; Egsgaard, H.; Larsen, E. [Forskningscenter Risoe, Roskilde (Denmark)

    1996-06-01

    In the FoTech project there have been utilized labelled compounds of stable isotopes as internal standards. Some of these compounds are commercially available ({sup 13}C-labelled PCB congeners, {sup 13}C-labelled diethylstilbestrol for determination of anabolic steroids). Others, like D{sub 9}-clenbuterol, D{sub 3}-clenbuterol, D{sub 3}-zeramol and D{sub 3}-dimetridazol have been synthesized. General aspects of deuterium compounds labelling are considered. (EG).

  16. Tunable Cascade Reaction of Aryl Diazonium Salts and Trialkylamine: Synthesis of Monofluorinated Arylhydrazones and gem-Difluorinated Azo Compounds.

    Science.gov (United States)

    Guo, Rui; Zhang, Zhengjuan; Shi, Feng; Tang, Pingping

    2016-03-04

    The first example of a mild and tunable cascade reaction of aryl diazonium salts and trialkylamine in the presence of Selectfluor to prepare monofluorinated arylhydrazones and gem-difluorinated azo compounds without metal has been explored. In the presence of H2O, the monofluorinated arylhydrazones were observed in moderate to good yield. In the absence of H2O, the gem-difluorinated azo compounds were obtained. The fluorinated arylhydrazones were utilized to synthesize fluorinated pyrazoles and other nitrogen-containing compounds.

  17. Synthesis gas solubility in Fischer-Tropsch slurry: Final report

    Energy Technology Data Exchange (ETDEWEB)

    Chao, K.C.; Lin, H.M.

    1988-01-01

    The objective is to investigate the phase equilibrium behavior of synthesis gases and products in a Fischer-Tropsch slurry reactor. A semi-flow apparatus has been designed and constructed for this purpose. Measurements have been made for hydrogen, cabon monoxide, methane, ethane, ethylene, and carbon dioxide in a heavy n-paraffin at temperatures from 100 to 300)degree)C and pressures 10 to 50 atm. Three n-paraffin waxes: n-eicosane (n-C/sub 20/), n-octacosane )n-C/sub 28/), and n-hexatriacontane (n-C/sub 36/), were studied to model the industrial wax. Solubility of synthesis gas mixtures of H/sub 2/ and CO in n-C/sub 28/ was also determined at two temperatures (200 and 300)degree)C) for each of three gas compositions (40.01, 50.01, and 66.64 mol%) of hydrogen). Measurements were extended to investigate the gas solubility in two industrial Fischer-Tropsch waxes: Mobilwax and SASOL wax. Observed solubility increases in the order: H/sub 2/, CO, CH/sub 4/, CO/sub 2/, C/sub 2/H/sub 4/, C/sub 2/H/sub 6/, at a given temperature pressure, and in the same solvent. Solubility increases with increasing pressure for all the gases. Lighter gases H/sub 2/ and CO show increased solubility with increasing temperature, while the heavier gases CO/sub 2/, ethane, and ethylene show decreased solubility with increasing temperature. The solubility of methane, the intermediate gas, changes little with temperature, and shows a shallow minimum at about 200)degrees)C or somewhat above. Henry's constant and partial molal volume of the gas solute at infinite dilution are determinedfrom the gas solubility data. A correlation is developed from the experimental data in the form on an equation of state. A computer program has been prepared to implement the correlation. 19 refs., 66 figs., 39 tabs.

  18. Synthesis of Novel Heterocyclic Compounds Incorporate 4,5,6,7-Tetrahydrobenzo[b]thiophene Together with Their Cytotoxic Evaluations.

    Science.gov (United States)

    Abdallah, Amira Elsayed Mahmoud; Mohareb, Rafat Milad; Khalil, Eid Metwally; Elshamy, Menna Alla Mohamed Abd Elaleem

    2017-01-01

    The 2-amino-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophene was the key starting compound used to synthesize new thiazole, pyrimidine, pyran, pyridine and thiazine derivatives. The cytotoxicity of the synthesized compounds was studied towards the three cancer cell lines namely MCF-7 (breast adenocarcinoma), NCI-H460 (non-small cell lung cancer) and SF-268 (central nervous system (CNS) cancer) in addition to the normal cell line (WI-38) using doxorubicin as the reference drug. The study showed that compounds 5, 9a, 15b, 17c, 18 and 21b were the most potent compounds.

  19. Theses of the reports of the XXXI Zvenigorod conference on the plasma physics and controlled thermonuclear synthesis

    International Nuclear Information System (INIS)

    Kovrizhnykh, L.M.; Ivanov, V.A.; Nagaeva, M.L.; Aleksandrov, A.F.; Vorob'ev, V.S.; Ivanenkov, G.V.; Meshcheryakov, A.I.

    2004-01-01

    Theses of the reports of the 31th Zvenigorod Conference on the physics and controlled thermonuclear synthesis, presented by Russian and foreign scientists, are published. The total number of reports is 258, namely, summarizing ones 16, magnetic confinement of high temperature plasma - 98, inertial thermonuclear synthesis - 44, physical processes in low temperature plasma - 58, physical bases of plasma and beam technologies - 42 [ru

  20. Improved synthesis of glycine, taurine and sulfate conjugated bile acids as reference compounds and internal standards for ESI-MS/MS urinary profiling of inborn errors of bile acid synthesis.

    Science.gov (United States)

    Donazzolo, Elena; Gucciardi, Antonina; Mazzier, Daniela; Peggion, Cristina; Pirillo, Paola; Naturale, Mauro; Moretto, Alessandro; Giordano, Giuseppe

    2017-04-01

    Bile acid synthesis defects are rare genetic disorders characterized by a failure to produce normal bile acids (BAs), and by an accumulation of unusual and intermediary cholanoids. Measurements of cholanoids in urine samples by mass spectrometry are a gold standard for the diagnosis of these diseases. In this work improved methods for the chemical synthesis of 30 BAs conjugated with glycine, taurine and sulfate were developed. Diethyl phosphorocyanidate (DEPC) and diphenyl phosphoryl azide (DPPA) were used as coupling reagents for glycine and taurine conjugation. Sulfated BAs were obtained by sulfur trioxide-triethylamine complex (SO 3 -TEA) as sulfating agent and thereafter conjugated with glycine and taurine. All products were characterized by NMR, IR spectroscopy and high resolution mass spectrometry (HRMS). The use of these compounds as internal standards allows an improved accuracy of both identification and quantification of urinary bile acids. Copyright © 2017 Elsevier B.V. All rights reserved.

  1. Review and synthesis of historical Tampa Bay water quality data. Final technical report

    International Nuclear Information System (INIS)

    Vargo, G.; Weisberg, R.; Bendis, B.; Rutherford, E.H.

    1992-11-01

    The review and synthesis of historical water quality data was one of the first characterization projects administered by the Tampa Bay National Estuary Program (NEP). The objective of the project was to describe the physical, chemical and biological characteristics of Tampa Bay. The report examines the spatial and temporal trends from the acquired data for possible interrelationships and develops them statistically

  2. Biological upgrading of coal-derived synthesis gas: Final report

    Energy Technology Data Exchange (ETDEWEB)

    Barik, S.; Johnson, E.R.; Ko, C.W.; Clausen, E.C.; Gaddy, J.L.

    1986-10-01

    The technical feasibility of the biological conversion of coal synthesis gas to methane has been demonstrated in the University of Arkansas laboratories. Cultures of microorganisms have been developed which achieve total conversion in the water gas shift and methanation reactions in either mixed or pure cultures. These cultures carry out these conversions at ordinary temperatures and pressures, without sulfur toxicity. Several microorganisms have been identified as having commercial potential for producing methane. These include a mixed culture of unidentified bacteria; P. productus which produces acetate, a methane precursor; and Methanothrix sp., which produces methane from acetate. These cultures have been used in mixed reactors and immobilized cell reactors to achieve total CO and H/sub 2/ conversion in a retention time of less than two hours, quite good for a biological reactor. Preliminary economic projections indicate that a biological methanation plant with a size of 5 x 10/sup 10/ Btu/day can be economically attractive. 42 refs., 26 figs., 86 tabs.

  3. Synthesis gas demonstration plant program, Phase I. Site confirmation report

    Energy Technology Data Exchange (ETDEWEB)

    1978-12-01

    With few reservations, the Baskett, Kentucky site exhibits the necessary characteristics to suggest compatibility with the proposed Synthesis Gas Demonstration Plant Project. An evaluation of a broad range of technical disciplinary criteria in consideration of presently available information indicated generally favorable conditions or, at least, conditions which could be feasibly accommodated in project design. The proximity of the Baskett site to market areas and sources of raw materials as well as a variety of transportation facilities suggests an overall favorable impact on Project economic feasibility. Two aspects of environmental engineering, however, have been identified as areas where the completion or continuation of current studies are required before removing all conditions on site suitability. The first aspect involves the current contradictory status of existing land use and planning ordinances in the site area. Additional investigation of the legality of, and local attitudes toward, these present plans is warranted. Secondly, terrestrial and aquatic surveys of plant and animal life species in the site area must be completed on a seasonal basis to confirm the preliminary conclusion that no exclusionary conditions exist.

  4. Synthesis Report on User Acceptability of Ventilation Technologies

    DEFF Research Database (Denmark)

    Larsen, Olena Kalyanova; Heiselberg, Per

    This report is prepared to summarise user satisfaction surveys available for 18 buildings in Building AdVent project. The results of user satisfaction survey are assembled in Building AdVent project D7 report for the Work Package 3. These serve a background for further discussions of acceptabilit...

  5. Use on non-conjugate prior distributions in compound failure models. Final technical report

    International Nuclear Information System (INIS)

    Shultis, J.K.; Johnson, D.E.; Milliken, G.A.; Eckhoff, N.D.

    1981-12-01

    Several theoretical and computational techniques are presented for compound failure models in which the failure rate or failure probability for a class of components is considered to be a random variable. Both the failure-on-demand and failure-rate situation are considered. Ten different prior families are presented for describing the variation or uncertainty of the failure parameter. Methods considered for estimating values for the prior parameters from a given set of failure data are (1) matching data moments to those of the prior distribution, (2) matching data moments to those of the compound marginal distribution, and (3) the marginal maximum likelihood method. Numerical methods for computing the parameter estimators for all ten prior families are presented, as well as methods for obtaining estimates of the variances and covariance of the parameter estimators, it is shown that various confidence, probability, and tolerance intervals can be evaluated. Finally, to test the resulting failure models against the given failure data, generalized chi-squage and Kolmogorov-Smirnov goodness-of-fit tests are proposed together with a test to eliminate outliers from the failure data. Computer codes based on the results presented here have been prepared and are presented in a companion report

  6. Influence of cAMP on reporter bioassays for dioxin and dioxin-like compounds

    International Nuclear Information System (INIS)

    Kasai, Ayumi; Yao, Jian; Yamauchi, Kozue; Hiramatsu, Nobuhiko; Hayakawa, Kunihiro; Meng, Yiman; Maeda, Shuichiro; Kitamura, Masanori

    2006-01-01

    In reporter assays for detection of dioxins, the dioxin-responsive element (DRE) is generally used as a sensor sequence. In several systems, the CYP1A1 promoter containing DREs (DRE cyp ) is inserted into a part of the long terminal repeat of mouse mammary tumor virus (LTR MMTV ) to improve sensitivity of assays. We found that DRE cyp -LTR MMTV responds not only to dioxins and dioxin-like compounds but also to forskolin, a cAMP-elevating agent. This effect was dose-dependent and reproduced by other cAMP-elevating agents including 8-bromo-cAMP and 3-isobutyl-methylxanthine. The cAMP response element (CRE) and CRE-like sequences were absent in DRE cyp -LTR MMTV and not involved in this process. In contrast to the effect of dioxin, the activation of DRE cyp -LTR MMTV by cAMP was independent of the aryl hydrocarbon receptor (AhR), a ligand-dependent transcription factor for DRE. Furthermore, neither DRE cyp , LTR MMTV nor the consensus sequence of DRE alone was activated in response to cAMP. These data elucidated for the first time that the combination of DRE cyp with LTR MMTV causes a peculiar response to cAMP and suggested that use of AhR antagonists is essential to exclude false-positive responses of DRE cyp -LTR MMTV -based bioassays for detection and quantification of dioxins and dioxin-like compounds

  7. Standards for reporting qualitative research: a synthesis of recommendations.

    Science.gov (United States)

    O'Brien, Bridget C; Harris, Ilene B; Beckman, Thomas J; Reed, Darcy A; Cook, David A

    2014-09-01

    Standards for reporting exist for many types of quantitative research, but currently none exist for the broad spectrum of qualitative research. The purpose of the present study was to formulate and define standards for reporting qualitative research while preserving the requisite flexibility to accommodate various paradigms, approaches, and methods. The authors identified guidelines, reporting standards, and critical appraisal criteria for qualitative research by searching PubMed, Web of Science, and Google through July 2013; reviewing the reference lists of retrieved sources; and contacting experts. Specifically, two authors reviewed a sample of sources to generate an initial set of items that were potentially important in reporting qualitative research. Through an iterative process of reviewing sources, modifying the set of items, and coding all sources for items, the authors prepared a near-final list of items and descriptions and sent this list to five external reviewers for feedback. The final items and descriptions included in the reporting standards reflect this feedback. The Standards for Reporting Qualitative Research (SRQR) consists of 21 items. The authors define and explain key elements of each item and provide examples from recently published articles to illustrate ways in which the standards can be met. The SRQR aims to improve the transparency of all aspects of qualitative research by providing clear standards for reporting qualitative research. These standards will assist authors during manuscript preparation, editors and reviewers in evaluating a manuscript for potential publication, and readers when critically appraising, applying, and synthesizing study findings.

  8. Stereoselective Synthesis of Tetrasubstituted Furylalkenes via Gold-Catalyzed Cross-Coupling of Enynones with Diazo Compounds.

    Science.gov (United States)

    Liu, Pei; Sun, Jiangtao

    2017-07-07

    A stereoselective, gold-catalyzed, cross-coupling reaction of enynones with diazo compounds has been developed, affording 2-alkenylfurans in moderate to good yields with excellent E-stereoselectivity. Upon using diazo compounds as nucleophiles to trap the in situ formed gold furyl carbene, this protocol provides a novel path toward the formation of unsymmetrical tetrasubstituted alkenes.

  9. Prebiotic Synthesis of Methionine and Other Sulfur-Containing Organic Compounds on the Primitive Earth: A Contemporary Reassessment Based on an Unpublished 1958 Stanley Miller Experiment

    Science.gov (United States)

    Parker, Eric T.; Cleaves, H. James; Callahan, Michael P.; Dworkin, Jason P.; Glavin, Daniel P.; Lazcano, Antonio

    2010-01-01

    Original extracts from an unpublished 1958 experiment conducted by the late Stanley L. Miller were recently found and analyzed using modern state-of-the-art analytical methods. The extracts were produced by the action of an electric discharge on a mixture of methane (CH4), hydrogen sulfide (H2S), ammonia (NH3), and carbon dioxide (CO2). Racemic methionine was farmed in significant yields, together with other sulfur-bearing organic compounds. The formation of methionine and other compounds from a model prebiotic atmosphere that contained H2S suggests that this type of synthesis is robust under reducing conditions, which may have existed either in the global primitive atmosphere or in localized volcanic environments on the early Earth. The presence of a wide array of sulfur-containing organic compounds produced by the decomposition of methionine and cysteine indicates that in addition to abiotic synthetic processes, degradation of organic compounds on the primordial Earth could have been important in diversifying the inventory of molecules of biochemical significance not readily formed from other abiotic reactions, or derived from extraterrestrial delivery.

  10. Development of pharmaceuticals with radioactive rhenium for cancer therapy. Production of {sup 186}Re and {sup 188}Re, synthesis of labeled compounds and their biodistributions

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-03-01

    Production of the radioactive rhenium isotopes {sup 186}Re and {sup 188}Re, and synthesis of their labeled compounds have been studied together with the biodistributions of the compounds. This work was carried out by the Working Group on Radioactive Rhenium, consisting of researchers of JAERI and some universities, in the Subcommittee for Production and Radiolabeling under the Consultative Committee of Research on Radioisotopes. For {sup 186}Re, production methods by the {sup 185}Re(n,{gamma}){sup 186}Re reaction in a reactor and by the {sup 186}W(p,n){sup 186}Re reaction with an accelerator, which can produce nocarrier-added {sup 186}Re, have been established. For {sup 188}Re, a production method by the double neutron capture reaction of {sup 186}W, which produces a {sup 188}W/{sup 188}Re generator, has been established. For labeling of bisphosphonate, DMSA, DTPA, DADS, aminomethylenephosphonate and some monoclonal antibodies with the radioactive rhenium isotopes, the optimum conditions, including pH, the amounts of reagents and so on, have been determined for each compound. The biodistributions of each of the labeled compounds in mice have been also obtained. (author)

  11. Microwave (MW) promoted high yield expedient synthesis of steryl ferulates--A class of novel biologically active compounds: A comparative study of their antioxidant activity with that of naturally occurring γ-oryzanol.

    Science.gov (United States)

    Begum, Ashma; Borah, Preetismita; Chowdhury, Pritish

    2016-03-01

    Synthetic steryl ferulates [3-O-(trans-4-feruloyl)-sterols] are currently gaining considerable importance in recent years to be used as nutraceuticals and food additives as well as in pharmaceutical applications substituting γ-oryzanol - a class of naturally occurring steryl ferulates having potent antioxidant and other organoleptic properties. Considering the importance of this class of compounds coupled with green technology associated with microwave energy (MW) in organic synthesis, we report here an expedited and high yield synthesis of steryl ferulates from abundant steroids, viz., cholesterol, cholestanol, stigmasterol, stigmastanol, β-sitosterol, β-campesterol, β-campestanol and ergosterol applying MW energy in the crucial step of esterification process of sterols with trans-4-O-acetylferulic acid to furnish their esterified products, viz., 3-O-(trans-4-O-acetylferuloyl)-sterols for their eventual deprotection to their respective steryl ferulates. We further report an efficient and scalable process of producing acetylferulic acid. Testing of synthesized steryl ferulates against antioxidant assays has also been highlighted. Copyright © 2015 Elsevier Inc. All rights reserved.

  12. A Case Report of Compound Odontoma Associated with an Unerupted Maxillary Central Incisor

    Directory of Open Access Journals (Sweden)

    Eda Arat Maden

    2014-02-01

    Full Text Available Odontomas generally appear as small, solitary or multiple radio-opaque lesions found on routine radiographic examinations. Traditionally, odontomas are the most common type of odontogenic tumor and they are generally asymptomatic. Occasionally, odontomas may cause disturbances in the eruption of teeth, such as impaction, delay eruption or retention of primary teeth. In general, odontomas occur more often in the permanent dentition. This is a case report of a compound composite odontoma in an 8-year-old boy, which has resulted in failure of eruption of the permanent upper right central incisor while the contra-lateral tooth had erupted. [Arch Clin Exp Surg 2014; 3(1.000: 47-51

  13. Geosynthetic Reinforced Soil Integrated Bridge System, Synthesis Report

    Science.gov (United States)

    2011-01-01

    This report is the second in a two-part series to provide engineers with the necessary background knowledge of Geosynthetic Reinforced Soil (GRS) technology and its fundamental characteristics as an alternative to other construction methods. It suppl...

  14. Biomedical research with cyclotron-produced radionuclides. Progress report, August 1, 1982-February 28, 1983

    International Nuclear Information System (INIS)

    Laughlin, J.S.

    1983-01-01

    Progress in the following research areas is reported: (1) exploratory clinical metabolic studies; (2) compound synthesis labeling and associated biological studies; and (3) data analysis, modeling and instrumentation

  15. Final Report on XStack: Software Synthesis for High Productivity ExaScale Computing

    Energy Technology Data Exchange (ETDEWEB)

    Solar-Lezama, Armando [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Computer Science and Artificial Intelligence Lab.

    2016-07-12

    The goal of the project was to develop a programming model that would significantly improve productivity in the high-performance computing domain by bringing together three components: a) Automated equivalence checking, b) Sketch-based program synthesis, and c) Autotuning. The report provides an executive summary of the research accomplished through this project. At the end of the report is appended a paper that describes in more detail the key technical accomplishments from this project, and which was published in SC 2014.

  16. SYNTHESIS OF AROMA COMPOUNDS BY Pleurotus ostreatus (Jacq.:Fr. Kumm. CULTURED ON VARIOUS SUBSTRATES E. N. Vlasenko, J. V. Stepnevskaya, O. V.

    Directory of Open Access Journals (Sweden)

    E. N. Vlasenko

    2017-08-01

    Full Text Available The aim of the study was to determine the intensity of synthesis of volatile aroma compounds by Pleurotus ostreatus (oyster mushroom on sunflower husks and barley straw using sensory profile analysis and UV spectroscopy. The main cultural and morphological characteristics of the mycelial growth and development of fruiting bodies are determined: the period of mycelial development on the substrate, the time of primordial formation, the number of mushroom bunches per unit volume of substrate, the morphology of carpophores. Characteristic attributes of the aroma of dried fruiting bodies (mushroom, woody, sweet, herbaceous, fish, meat, floral, earthy, acidic, putrescent are established and their aroma profiles are built. Sensory profile analysis of flavor of dried samples showed that the mushroom flavor of fungi cultivated on the sunflower husk is more pronounced than of those grown on barley straw. The light absorption maxima are recorded in the ranges 204–210 and 250–290 nm according to UV absorption spectra. Optimal conditions for extracting aromatics from dried fungi samples are the extraction time of 20–35 min at the boiling point of the solvent. Analysis of the UV spectra of fungal alcohol and hexane extracts showed that the intensity of the synthesis of volatile compounds is higher for strains cultivated on sunflower husks than for samples obtained on barley straw.

  17. Synthesis and identification of substituted Mg-Al-Cl double hydroxide compounds with a focus on infrared spectroscopy

    International Nuclear Information System (INIS)

    Hansen, Birte

    2011-01-01

    coprecipitation methods (Miyata, 1975; Cavani et al., 1991). In a repository it is assumed that during water ingress beside the pure Mg-Al-Cl LDH different solid solution-LDH-compounds might be found, because of the fuel element container being additional present beside the RR-FE. In this study the incorporation of cadmium (contained in control rods), iron and manganese (FE container materials) into the structure of a Mg-Al-Cl LDH was therefore investigated. Synthesis of several LDHs by a coprecipitation method was performed. In these LDHs some molar amounts of the magnesium cations were replaced successfully by other divalent cations (Cd 2+ , Fe 2+ or Mn 2+ ). Even cations in the size of Cd 2+ (Cd 2+ : 95 pm, Mg 2+ : 72 pm, Shannon, 1976) can be incorporated. In order to determine, if these substituted LDHs have better retention properties for radionuclides, the sorption behavior of selenium (selenium is a long-living fission product and was employed here as selenite) on the Mg-Cd-Al-Cl LDH was investigated in water, clay pore water (Mont-Terri-type) and brine 2. Using a LDH concentration of 10g/L the sorption kinetics were very rapid and equilibrium was reached within 12 hours. The sorption of selenite decreased with increasing amount of competing chloride anions in the solutions. The energies were in the range of ion exchange reactions. During investigations of the pH dependency a high buffer capacity of the Mg-Cd-Al-Cl LDH was observed. It could be shown, that even in repository-relevant solutions the Mg-Al-Cl LDH with cadmium has slightly better retention properties for the mobile selenite as an unmodified Mg-Al-Cl LDH. Another aim was to demonstrate the incorporation of di-, tri- and tetravalent cations into the structure of a Mg-Al-Cl LDH by infrared spectroscopy. Before measurement the LDHs were converted from the chloride-form into the carbonate-form. The demonstation should be accomplished on the basis of shifts of the band positions in the infrared spectra of these

  18. Taming Radical Pairs in Nanocrystalline Ketones: Photochemical Syn-thesis of Compounds with Vicinal Stereogenic All-Carbon Quaternary Centers.

    Science.gov (United States)

    Dotson, Jordan J; Perez-Estrada, Salvador; Garcia-Garibay, Miguel A

    2018-05-29

    Here we describe the use of crystalline ketones to control the fate of the radical pair intermediates generated in the Norrish type I photodecarbonylation reaction to render it a powerful tool in the challenging synthesis of sterically congested carbon-carbon bonds. This methodology makes the synthetically more accessible hexasusbtituted ketones as ideal synthons for the construction of adjacent, all-carbon substituted, stereogenic quaternary stereocenters. We describe here the structural and thermochemical parameters required of the starting ketone in order to react in the solid state. Finally, the scope and scalability of the reaction and its application in the total synthesis of two natural products is described.

  19. Indium mediated isoprenylation of carbonyl compounds with 2-bromomethyl-1,3-butadiene: a short synthesis of (±)-ipsenol

    OpenAIRE

    Ceschi Marco A.; Petzhold Cesar; Schenato Rossana A.

    2003-01-01

    Isoprenylation of aldehydes and ketones was directly performed by selective indium insertion on a mixture of 2-bromomethyl-1,3-butadiene and its vinylic isomers in good yields. A short synthesis of (±)-ipsenol, an aggregation pheromone of the Ips paraconfusus bark beetle, demonstrates the utility of this method in organic synthesis. A isoprenilação de aldeídos e cetonas foi realizada através da inserção seletiva de índio sobre uma mistura de 2-bromometil-1,3-butadieno e seus isômeros viníl...

  20. Organolanthanoid compounds

    International Nuclear Information System (INIS)

    Schumann, H.

    1984-01-01

    Up to little more than a decade ago organolanthanoid compounds were still a curiosity. Apart from the description of an isolated number of cyclopentadienyl and indenyl derivatives, very few significant contributions had been made to this interesting sector of organometallic chemistry. However, subsequent systematic studies using modern preparative and analytical techniques, together with X-ray single crystal structure determinations, enabled the isolation and characterization of a large number of very interesting homoleptic and heteroleptic compounds in which the lanthanoid is bound to hydrogen, to substituted or unsubstituted cyclopentadienyl groups, to allyl or alkynyl groups, or even to phosphorus ylides, trimethylsilyl, and carbonylmetal groups. These compounds, which are all extremely sensitive to oxygen and water, open up new possibilities in the field of catalysis and have great potential in organic synthesis - as recent studies with pentamethylcyclopentadienyl derivatives, organolanthanoid(II) compounds, and hexamethyllanthanoid complexes have already shown. (orig.) [de

  1. 2009 National inventory of radioactive material and wastes. Synthesis report

    International Nuclear Information System (INIS)

    2009-01-01

    Third edition of the ANDRA's national inventory report on radioactive wastes that are present on the French territory (as recorded until december, 2007). After a brief historical review of the national inventory and the way it is constructed, the report gives the basics on radioactive wastes, their classification, origins and management processes, followed by a general presentation and discussion of the inventory results (radioactive wastes and materials). Results are then detailed for the different activity sectors using radioactive materials (nuclear industry, medical domain, scientific research, conventional industry, Defense...). Information is also given concerning radioactive polluted areas (characterization and site management) and radioactive waste inventories in various foreign countries

  2. Synthesis of some new heterocyclic compounds bearing a sulfonamide moiety and studying their combined anticancer effect with γ-radiation

    International Nuclear Information System (INIS)

    El-Hossary, E.M.M.

    2010-01-01

    In search for new cytotoxic agents with improved anticancer profile, some new halogen-containing quinoline and pyrimido[4,5-b]quinoline derivatives bearing a free sulfonamide moiety were synthesized. All the newly synthesized target compounds were subjected to in vitro anticancer screening against human breast cancer cell line (MCF7). The most potent compounds, as concluded from the in vitro anticancer screening, were selected to be evaluated again for their in vitro anticancer activity in combination with radiation. Also, the newly synthesized compounds were docked in the active site of the carbonic anhydrase enzyme

  3. Synthesis and Odor Evaluation of Five New Sulfur-Containing Ester Flavor Compounds from 4-Ethyloctanoic Acid

    Directory of Open Access Journals (Sweden)

    Baoguo Sun

    2010-07-01

    Full Text Available Five sulfur-containing flavor compounds were synthesized for the first time by the reaction of 4-ethyloctanoyl chloride with sulfur-containing alcohols or mercaptans. The synthesized compounds are 3-(methylthiopropyl 4-ethyloctanoate, 2-methyl-3-tetrahydro-furanthiol 4-ethyloctanoate, 4-methyl-5-thiazoleethanol 4-ethyloctanoate, 2-furan-methanethiol 4-ethyloctanoate and 2-methyl-3-furanthiol 4-ethyloctanoate. These five synthetic sulfur-containing ester flavor compounds all have meaty odor and might be used in foods if approved for this purpose in the future.

  4. Synthesis and odor evaluation of five new sulfur-containing ester flavor compounds from 4-ethyloctanoic acid.

    Science.gov (United States)

    Liu, Yuping; Chen, Haitao; Yin, Decai; Sun, Baoguo

    2010-07-29

    Five sulfur-containing flavor compounds were synthesized for the first time by the reaction of 4-ethyloctanoyl chloride with sulfur-containing alcohols or mercaptans. The synthesized compounds are 3-(methylthio)propyl 4-ethyloctanoate, 2-methyl-3-tetrahydro-furanthiol 4-ethyloctanoate, 4-methyl-5-thiazoleethanol 4-ethyloctanoate, 2-furan-methanethiol 4-ethyloctanoate and 2-methyl-3-furanthiol 4-ethyloctanoate. These five synthetic sulfur-containing ester flavor compounds all have meaty odor and might be used in foods if approved for this purpose in the future.

  5. Mining inventory of Uruguay: Uranium report of synthesis annexes GQE

    International Nuclear Information System (INIS)

    1984-01-01

    This report is about place, analysis and radiometric results in Amarillo, Acegua, Alborada,Arbolito,Caraguata,Centurion,Cerro de las Cuentas, Cuchilla de Ombu, Fraile Muerto, Las Flores, Lechiguana, Melo, Moirones, La Paloma de Durazno,Paso Mazangano, Paso del Minuano, Paso Pereira, Paso del Puerto, Paso San Diego, Polanco, Porrua, Sierra de los Rios, Tacuari, Vichadero, MoironesZanja Honda

  6. Sulfide perovskites for solar energy conversion applications: computational screening and synthesis of the selected compound LaYS3

    DEFF Research Database (Denmark)

    Kuhar, Korina; Crovetto, Andrea; Pandey, Mohnish

    2017-01-01

    of ternary sulfides followed by synthesis and confirmation of the properties of one of the most promising materials. The screening focusses on materials with ABS3 composition taking both perovskite and non-perovskite structures into consideration, and the material selection is based on descriptors...

  7. Direct Synthesis of 5-Aryl Barbituric Acids by Rhodium(II)-Catalyzed Reactions of Arenes with Diazo Compounds**

    Science.gov (United States)

    Best, Daniel; Burns, David J; Lam, Hon Wai

    2015-01-01

    A commercially available rhodium(II) complex catalyzes the direct arylation of 5-diazobarbituric acids with arenes, allowing straightforward access to 5-aryl barbituric acids. Free N—H groups are tolerated on the barbituric acid, with no complications arising from N—H insertion processes. This method was applied to the concise synthesis of a potent matrix metalloproteinase (MMP) inhibitor. PMID:25959544

  8. Synthesis of new heterocyclic compounds using 2-(4,7-dichloro-3,3-dimethyl-indolin-2-ylidenemalonaldehyde

    Directory of Open Access Journals (Sweden)

    Razieh Mohammadnejad Aghdam

    2013-01-01

    Full Text Available 1-(2,5-Dichlorophenylhydrazine was converted via Fischer synthesis with isopropylmethylketone into 4,7-dichloro-2,3,3-trimethyl-3H-indole. Exposure of the indolenine to the vilsmeier reagent produced amino methylene malondialdehyde which reacted with hydrazine, arylhydrazine, urea, cyanoacetamide and thiourea to give pyrazols, pyrimidones and thiopyrimidone, respectively.

  9. The nature of the potassium compound acting as a promoter in iron-alumina catalysts for ammonia synthesis

    NARCIS (Netherlands)

    van Ommen, J.G.; Bolink, W.J.; Prasad, J.; Mars, P.

    1975-01-01

    The chemical form of the potassium promoter on an iron-alumina catalyst during ammonia synthesis has been studied by two methods, viz, (i) the measurement of the equilibrium constant of the process KNH2 + H2 KH + NH3, and (ii) chemical analysis of the used catalyst. The equilibrium constant

  10. Efficient Synthesis of Spirobarbiturates and Spirothiobarbiturates Bearing Cyclopropane Rings by Rhodium(II)-Catalyzed Reactions of Cyclic Diazo Compounds

    International Nuclear Information System (INIS)

    Wang, Xue; Lee, Yong Rok

    2013-01-01

    Rhodium(II)-catalyzed reactions of cyclic diazo compounds derived from barbituric acid and thiobarbituric acid with a variety of styrene moieties were examined. These reactions provide rapid synthetic routes to the preparations of spirobarbiturates and spirothiobarbiturates bearing cyclopropane rings

  11. Efficient Synthesis of Spirobarbiturates and Spirothiobarbiturates Bearing Cyclopropane Rings by Rhodium(II)-Catalyzed Reactions of Cyclic Diazo Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xue; Lee, Yong Rok [Yeungnam Univ., Gyeongsan (Korea, Republic of)

    2013-06-15

    Rhodium(II)-catalyzed reactions of cyclic diazo compounds derived from barbituric acid and thiobarbituric acid with a variety of styrene moieties were examined. These reactions provide rapid synthetic routes to the preparations of spirobarbiturates and spirothiobarbiturates bearing cyclopropane rings.

  12. Studies in group IV organometallic chemistry XXX. Synthesis of compounds containing tin---titanium and tin---zirconium bonds

    NARCIS (Netherlands)

    Creemers, H.M.J.C.; Verbeek, F.; Noltes, J.G.

    1968-01-01

    Starting from the tetrakis(diethylamino) derivatives of titanium and zirconium and pheyltin hydrides six intermetalic compounds contianing up to nine tin and titanium(or zirconium) atoms have been obtained by hydrostannolysis type reactions.

  13. Synthesis of novel 3-cyclohexylpropanoic acid-derived nitrogen heterocyclic compounds and their evaluation for tuberculostatic activity.

    Science.gov (United States)

    Gobis, Katarzyna; Foks, Henryk; Bojanowski, Krzysztof; Augustynowicz-Kopeć, Ewa; Napiórkowska, Agnieszka

    2012-01-01

    A series of novel 3-cyclohexylpropanoic acid derivatives and 3-cyclohexylpropanoic acid-derived nitrogen heterocyclic compounds (1-8) have been synthesized and evaluated for tuberculostatic activity. Compounds 1a, 1c, 1e and 1f bearing benzimidazole or benzimidazole-like systems showed the most potent tuberculostatic activity against Mycobacterium tuberculosis strains with MIC values ranging from 1.5 to 12.5μg/mL. More importantly 1a (6-chloro-2-(2-cyclohexylethyl)-4-nitro-1H-benzo[d]imidazole) and 1f (2-(2-cyclohexylethyl)-1H-imidazo[4,5-b]phenazine) appeared selective for M. tuberculosis as compared with eukaryotic cells (human fibroblasts), and other antimicrobial strains. These compounds may thus represent a novel, selective class of antitubercular agents. Additionally compound 1a stimulated type I collagen output by fibroblasts, in vitro. Copyright © 2011 Elsevier Ltd. All rights reserved.

  14. Fluorescent deep-blue and hybrid white emitting devices based on a naphthalene-benzofuran compound

    KAUST Repository

    Yang, Xiaohui; Zheng, Shijun; Chae, HyunSik; Li, Sheng; Mochizuki, Amane; Jabbour, Ghassan E.

    2013-01-01

    We report the synthesis, photophysics and electrochemical properties of naphthalene-benzofuran compound 1 and its application in organic light emitting devices. Fluorescent deep-blue emitting devices employing 1 as the emitting dopant embedded in 4

  15. Efficient fluorescent deep-blue and hybrid white emitting devices based on carbazole/benzimidazole compound

    KAUST Repository

    Yang, Xiaohui; Zheng, Shijun; Bottger, Rebecca; Chae, HyunSik; Tanaka, Takeshi; Li, Sheng; Mochizuki, Amane; Jabbour, Ghassan E.

    2011-01-01

    We report the synthesis, photophysics, and electrochemical characterization of carbazole/benzimidazole-based compound (Cz-2pbb) and efficient fluorescent deep-blue light emitting devices based on Cz-2pbb with the peak external quantum efficiency

  16. Synthesis and antibacterial activity of novel Pyrazolo [3, 4-B] quinoline based heterocyclic azo compounds and their dyeing performance

    International Nuclear Information System (INIS)

    Thaokar, Sanjay F.; Patel, Dinesh M.; Patel, Manish P.; Patel, Ranjan G.

    2007-01-01

    3-Amino-6-methyl-1H- pyrazolo [3, 4-B] quinoline was synthesized in good yield. Monoazo compounds were prepared using this intermediate as diazo component with various heterocyclic coupling components. All the azo compounds were characterized by their percentage yield, melting point, elemental analysis, UV-visible spectra, IR-spectra and dyeing performance on nylon and polyester fibres and by their antibacterial activity against gram positive and gram negative bacteria. (author)

  17. Synthesis of new heterocyclic compounds based on pyrazolopyridine scaffold and evaluation of their neuroprotective potential in MPP+-induced neurodegeneration.

    Science.gov (United States)

    Jouha, Jabrane; Loubidi, Mohammed; Bouali, Jamila; Hamri, Salha; Hafid, Abderrafia; Suzenet, Franck; Guillaumet, Gérald; Dagcı, Taner; Khouili, Mostafa; Aydın, Fadime; Saso, Luciano; Armagan, Güliz

    2017-03-31

    Neurodegenerative disorders including Alzheimer's disease, Parkinson's disease, and Huntington's disease affect millions of people in the world. Thus several new approaches to treat brain disorders are under development. The aim of the present study is to synthesize potential neuroprotective heterocyclic compounds based on pyrazolopyridine derivatives and then to evaluate their effects in MPP + -induced neurodegeneration in human neuroblastoma cell line (SH-SY5Y cells). The effects of the compounds on cell viability were measured by MTT assay and the changes in apoptosis-related proteins including bax, Bcl-2, Bcl-xl and caspase-3 were investigated by western blot technique. Based on the cell viability results obtained by MTT assay, the percentage of neuroprotection-induced by compounds against MPP + -induced neurotoxicity in SH-SY5Y cells was between 20% and 30% at 5 μM concentrations of all synthesized compounds. Moreover, the downregulation in pro-apoptotic proteins including bax and caspase-3 were found following the novel synthesized compounds treatments and these effects were observed in a dose-dependent manner. Our results provide an evidence that these heterocyclic compounds based on pyrazolopyridine derivatives may have a role on dopaminergic neuroprotection via antiapoptotic pathways. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  18. Energy security in South America and Southern Africa: synthesis report

    International Nuclear Information System (INIS)

    Kiratu, Sheila

    2011-01-01

    In developing countries, the ability to provide adequate and reliable energy supplies is a key to sustainable economic development. The aim of this report is to study the energy supply security in both Southern Africa and South America and how these regions can participate in the international effort to combat climate change. This report showed that South Africa's energy sector mostly relies on carbon intensive coal while Brazil is mainly supplied by hydroelectricity. It was found that in both countries energy needs will increase significantly due to rising demand both internally and at a regional scale. However it was also shown that both Southern Africa and South America have important hydro, solar and wind renewable resources which could enhance their electricity security while minimizing their environmental impacts. This study demonstrated that Southern Africa and South America can enhance their electricity security through the use of renewable energies but that technology and financing is needed to develop the sector.

  19. Synthesis by IRSN of UNSCEAR reports - period 2003 - 2007

    International Nuclear Information System (INIS)

    2006-09-01

    The present document describes in a concise way nine reports examined during the UNSCEAR 54. session that stood in may 2006 and took its place in a working cycle covering the years from 2003 to 2007. The subjects treated during this 54. session are as different as the radiations sources, the public and workers exposures, the radon exposure, the medical exposures, the radiation effects on human being and on animal and vegetal species, the physiopathology of radiation effects, the mechanisms and epidemiology of the radioinduced carcinogenesis, the mechanisms of radiation effects, the effects other than cancer, the radiation effects on the immune system, the non-targeted effects and the long-term effects. These reports are all practically in their definitive version; some have to be completed. (N.C.)

  20. Research program on regulatory safety research - Synthesis report 2008

    International Nuclear Information System (INIS)

    Mailaender, R

    2009-06-01

    This report for the Swiss Federal Office of Energy (SFOE) summarises the program's main points of interest, work done in the year 2008 and the results obtained. The main points of the research program, which is co-ordinated by the Swiss Federal Nuclear Safety Inspectorate ENSI, are discussed. Topics covered concern reactor safety as well as human, organisational and safety aspects. Work done in several areas concerning reactor safety and materials as well as interactions in severe accidents in light-water reactors is described. Radiation protection, the transport and disposal of radioactive wastes and safety culture are also looked at. Finally, national and international co-operation is briefly looked at and work to be done in 2009 is reviewed. The report is completed with a list of research and development projects co-ordinated by ENSI

  1. Novel Platinum (Pt)-Vandetanib Hybrid Compounds: Design, Synthesis and Investigation of Anti-cancer Activity and Mechanism of Action

    Science.gov (United States)

    Fei, Rong

    Purpose: Lung cancer is one of the most common cancers and non-small cell lung cancer (NSCLC) accounts for 80-85% of lung cancers. 70% of individuals with NSCLC harboring somatic mutations in exons of the epidermal growth factor receptor (EGFR) gene that encode tyrosine kinase domain. EGFR tyrosine kinase inhibitors (TKIs) are promising molecular targeted therapy for NSCLC with sensitizing EGFR mutations. However, secondary mutation of EGFR after treatment of TKIs develops resistance. Vandetanib is introduced to overcome erlotinib resistance as a multi-targeted TKI. However, its anticancer effect is still compromised by EGFR T790M mutation. Therefore, new molecular anticancer strategies are necessarily needed. In this study, vandetanib is incorporated with Pt-based anticancer agents as hybrid compounds, aiming to circumvent TKI resistance. Furthermore, hybrid compounds are investigated in cisplatin resistant problem to expect to overcome resistance by introduction of vandetanib. Methods: Three novel Pt-vandetanib hybrid compounds were synthesized and its physicochemical properties were characterized. Anticancer activity and cytotoxicity were evaluated by sulforhodamine B assay and lactate dehydrogenase release. Docking simulation was performed to investigate the interaction of compounds with EGFR harboring different mutations. Inhibition efficacy of hybrids to kinases was evaluated by kinase inhibition profiling service and cell-free kinase inhibition assay. Mechanistic studies on cytotoxicity activity of the hybrid compounds were carried out. DNA damage response of hybrid compounds was further investigated in KB cells. The cytotoxicity of hybrids was tested in cisplatin resistant KB CP20 cells. Mechanistic of anticancer activity was studied to test inhibition on oncoprotein CIP2Aand DNA damage. Results: Platinum-vandetanib hybrid compounds were synthesized and test to be stable under extracellular condition. Hybrids reacted with 5'-GMP2- and glutathione, and both

  2. French energetic perspective by 2020-2050. Synthesis report

    International Nuclear Information System (INIS)

    2007-09-01

    This report brings together the technical reflexions of the Energy Commission implemented by the strategical analysis center. Written in 7 chapters it presents the problematic; the energy policy facing the planetary challenges, the constraints, opportunities, cooperations and difficult integration of the french energy policy in the europe; the axis of a national energy policy; some simulation to light up the long dated choices and the implementing conditions of an ambitious energy policy. The last chapter concludes on recommendations for the french energy policy at a national but also community scale. (A.L.B.)

  3. Design and synthesis of reactive separation systems. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Doherty, M.F.

    1992-12-31

    During the last decade there has been a rapid upturn in interest in reactive distillation. The chemical process industry recognizes the favorable economics of carrying out reaction simultaneously with distillation for certain classes of reacting systems, and many new processes have been built based on this technology. Interest is also increasing by academics and software vendors. Systematic design methods for reactive distillation systems have only recently begun to emerge. In this report we survey the available design techniques and point out the contributions made by our group at the University of Massachusetts.

  4. Synthesis and evaluation of germanium organometallic compounds as precursors for chemical vapor deposition (CVD) and for obtaining nanoparticles of elemental germanium

    International Nuclear Information System (INIS)

    Ballestero Martinez, Ernesto

    2014-01-01

    The interest in the development of materials having applications such as electronics areas or biomarkers has affected the synthesis of new compounds based on germanium. This element has had two common oxidation states, +4 and +2, of them, +2 oxidation state has been the least studied and more reactive. Additionally, compounds of germanium (II) have had similarities with carbenes regarding the chemical acid-base Lewis. The preparation of compounds of germanium (II) with ligands β-decimations has enabled stabilization of new chemical functionalities and, simultaneously, provided interesting thermal properties to develop new preparation methodologies of materials with novel properties. The preparation of amides germanium(II) L'Ge(NHPh) [1, L' = {HC (CMeN-2,4,6-Me 3 C 6 H 2 ) 2 }], L'Ge(4-NHPy) [2] L'Ge(2-NHPy) [3] and LGe(2-NHPy) [4, L = {HC(CMeN-2,6- i Pr 2 C 6 H 3 ) 2 }]; the structural chemical composition were determined using techniques such as nuclear magnetic resonance ( 1 H, 13 C), other techniques are treated: elemental analysis, melting point, infrared spectroscopy, X-ray diffraction of single crystal and thermal gravimetric analysis (TGA). The TGA has showed that 4-1 have experimented a thermal decomposition; therefore, these compounds could be considered as potential starting materials for obtaining germanium nitride (GeN x ). Certainly, the availability of nitrogen coordinating atoms in the chemical composition in 2-4 have been interesting because it could act as ligands in reactions with transition metal complexes. That way, information could be obtained at the molecular level for some reactions and interactions that in surface chemistry have used similar link sites, for example, chemical functionalization of silicon and germanium substrates. The synthesis and structural characterization of germanium chloride compound(II) L''GeCl [5, L'' = HC{(CMe) (N-2,6-Me 2 C 6 H 3 )} 2 ], which could be used later for the

  5. Using docking and alchemical free energy approach to determine the binding mechanism of eEF2K inhibitors and prioritizing the compound synthesis.

    Science.gov (United States)

    Wang, Qiantao; Edupuganti, Ramakrishna; Tavares, Clint D J; Dalby, Kevin N; Ren, Pengyu

    2015-01-01

    A-484954 is a known eEF2K inhibitor with submicromolar IC50 potency. However, the binding mechanism and the crystal structure of the kinase remains unknown. Here, we employ a homology eEF2K model, docking and alchemical free energy simulations to probe the binding mechanism of eEF2K, and in turn, guide the optimization of potential lead compounds. The inhibitor was docked into the ATP-binding site of a homology model first. Three different binding poses, hypothesis 1, 2, and 3, were obtained and subsequently applied to molecular dynamics (MD) based alchemical free energy simulations. The calculated relative binding free energy of the analogs of A-484954 using the binding pose of hypothesis 1 show a good correlation with the experimental IC50 values, yielding an r (2) coefficient of 0.96 after removing an outlier (compound 5). Calculations using another two poses show little correlation with experimental data, (r (2) of less than 0.5 with or without removing any outliers). Based on hypothesis 1, the calculated relative free energy suggests that bigger cyclic groups, at R1 e.g., cyclobutyl and cyclopentyl promote more favorable binding than smaller groups, such as cyclopropyl and hydrogen. Moreover, this study also demonstrates the ability of the alchemical free energy approach in combination with docking and homology modeling to prioritize compound synthesis. This can be an effective means of facilitating structure-based drug design when crystal structures are not available.

  6. Sonochemical synthesis of bismuth(III) nano coordination compound and direct synthesis of Bi.sub.2./sub.O.sub.3./sub. nanoparticles from a bismuth(III) nano coordination compound precursor

    Czech Academy of Sciences Publication Activity Database

    Roodsari, M.S.; Shaabani, B.; Mirtamizdoust, B.; Dušek, Michal; Fejfarová, Karla

    2015-01-01

    Roč. 25, č. 5 (2015), s. 1226-1232 ISSN 1574-1443 Grant - others:AV ČR(CZ) Praemium Academiae Institutional support: RVO:68378271 Keywords : nano coordination compound * sonochemical method * intramolecular proton transfer * nano bismuth oxide * isoniazid Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.308, year: 2015

  7. Ionothermal synthesis and structural transformation targeted by ion exchange in metal-1,3,5-benzenetricarboxylate compounds

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Qing-Qing [Key Laboratory of Macromolecular Science of Shaanxi Province, School of Chemistry & Chemical Engineering, Shaanxi Normal University, Xi’an 710062, Shaanxi (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Liu, Bing [College of Chemistry and Chemical Engineering, Shaanxi University of Sciences and Technology, Xi’an 710021, Shaanxi (China); Xu, Ling, E-mail: xuling@snnu.edu.cn [Key Laboratory of Macromolecular Science of Shaanxi Province, School of Chemistry & Chemical Engineering, Shaanxi Normal University, Xi’an 710062, Shaanxi (China); Jiao, Huan, E-mail: jiaohuan@snnu.edu.cn [Key Laboratory of Macromolecular Science of Shaanxi Province, School of Chemistry & Chemical Engineering, Shaanxi Normal University, Xi’an 710062, Shaanxi (China)

    2017-03-15

    Ionothermal reactions of 1,3,5-benzenetricarboxylate acid (H{sub 3}BTC) and Ni(NO{sub 3}){sub 2}, Co(NO{sub 3}){sub 2} and Cu(NO{sub 3}){sub 2} gave two discrete 32-membered ring-like allomers, [M{sub 2}(HBTC){sub 2}(NH{sub 2}CONH{sub 2}){sub 2}(H{sub 2}O){sub 4}]·3H{sub 2}O (M=Ni(1), Co(2)) and one layered [Cu{sub 2}(BTC)Cl(H{sub 2}O){sub 4}] (3). The weak interactions in 1 can be deconstructed to some degree in ion exchange by exploring the factors of divalent and trivalent metal species, metal concentration and soaking time, which are demonstrated by PXRD and N{sub 2} absorption. Cu{sup 2+} has the highest N{sub 2} adsorbance when soaking with 1, and 1 can keep structure stable when Cu{sup 2+} below 0.16 mol L{sup −1} and the soaking time within 24d. As Cu{sup 2+} beyond 0.16 mol L{sup −1} and the soaking time beyond 24d, the structure of compound 1 starts to transform with the crystal morphology from clear pale green to opaque blue. Ionothermal reactions of compound 1 with different Cu{sup 2+} amounts obtained Ni{sup 2+}-Cu{sup 2+} hetero complexes, whose PXRD patterns are similar to that of 3 and EDS indicates Cu{sup 2+}% increases with Cu{sup 2+} additions and close to 100% as Cu{sup 2+} being 1.6 mmol. It suggests that 3 is a controlled product and Cu{sup 2+} can transform discrete compound 1 into 2D compound 3. - Graphical abstract: Three compounds were synthesized through ionothermal reactions. The weak interactions in compound 1 can be deconstructed by ion exchange and discrete compound 1 can be transformed into layered compound 3. - Highlights: • Two discrete ring-like and one layered compounds were ionothermally synthesized. • Metal species, metal concentration and soaking time deconstruct the H-bondings in 1. • 1 can be transformed to 3 through ionothermal reaction, otherwise forbidden.

  8. The future of the French civil nuclear sector. Report synthesis

    International Nuclear Information System (INIS)

    2010-01-01

    Considering the evolution of the French civil nuclear industry by 2030, this study examines its different dimensions: energy policy, safety and security of uranium supplies, nuclear competitiveness, environmental and safety issues, public acceptance, consequences of non proliferation international and French policies, industrial, human and research capacities, and so on. Thus, this report presents the actors involved in the French civil nuclear sector, gives an overview of the reactor market, highlights the main aspects of the fuel cycle and of the waste management, stresses the need of a new organisation for this sector to face the domestic as well as the international challenges. It discusses the possible ways for a wider financing and a higher competitiveness. It identifies new means for an ambitious civil nuclear policy. Fifteen recommendations are proposed

  9. Unprecedented Hexanuclear Cobalt(II Nonsymmetrical Salamo-Based Coordination Compound: Synthesis, Crystal Structure, and Photophysical Properties

    Directory of Open Access Journals (Sweden)

    Zong-Li Ren

    2018-03-01

    Full Text Available A novel hexanuclear Co(II coordination compound with a nonsymmetrical Salamo-type bisoxime ligandH4L, namely [{Co3(HL(MeO(MeOH2(OAc2}2]·2MeOH, was prepared and characterized by elemental analyses, UV–vis, IR and fluorescence spectra, and X-ray single-crystal diffraction analysis. Each Co(II is hexacoordinated, and possesses a distorted CoO6 or CoO4N2 octahedrons. The Co(II coordination compound possesses a self-assembled infinite 2D supramolecular structure with the help of the intermolecular C–H···O interactions. Meanwhile, the photophysical properties of the Co(II coordination compound were studied.

  10. Two half-sandwiched ruthenium (II compounds containing 5-fluorouracil derivatives: synthesis and study of DNA intercalation.

    Directory of Open Access Journals (Sweden)

    Zhao-Jun Li

    Full Text Available Two novel coordination compounds of half-sandwiched ruthenium(II containing 2-(5-fluorouracil-yl-N-(pyridyl-acetamide were synthesized, and their intercalation binding modes with calf thymus DNA were revealed by hyperchromism of ultraviolet-visible spectroscopy; the binding constants were determined according to a Langmuir adsorption equation that was deduced on the base of careful cyclic voltammetry measurements. The two compounds exhibited DNA intercalation binding activities with the binding constants of 1.13×106 M-1 and 5.35 ×105 M-1, respectively.

  11. Geometrically and conformationally restrained cinnamoyl compounds as inhibitors of HIV-1 integrase: synthesis, biological evaluation, and molecular modeling.

    Science.gov (United States)

    Artico, M; Di Santo, R; Costi, R; Novellino, E; Greco, G; Massa, S; Tramontano, E; Marongiu, M E; De Montis, A; La Colla, P

    1998-10-08

    Various cinnammoyl-based structures were synthesized and tested in enzyme assays as inhibitors of the HIV-1 integrase (IN). The majority of compounds were designed as geometrically or conformationally constrained analogues of caffeic acid phenethyl ester (CAPE) and were characterized by a syn disposition of the carbonyl group with respect to the vinylic double bond. Since the cinnamoyl moiety present in flavones such as quercetin (inactive on HIV-1-infected cells) is frozen in an anti arrangement, it was hoped that fixing our compounds in a syn disposition could favor anti-HIV-1 activity in cell-based assays. Geometrical and conformational properties of the designed compounds were taken into account through analysis of X-ray structures available from the Cambridge Structural Database. The polyhydroxylated analogues were prepared by reacting 3,4-bis(tetrahydropyran-2-yloxy)benzaldehyde with various compounds having active methylene groups such as 2-propanone, cyclopentanone, cyclohexanone, 1,3-diacetylbenzene, 2, 4-dihydroxyacetophenone, 2,3-dihydro-1-indanone, 2,3-dihydro-1, 3-indandione, and others. While active against both 3'-processing and strand-transfer reactions, the new compounds, curcumin included, failed to inhibit the HIV-1 multiplication in acutely infected MT-4 cells. Nevertheless, they specifically inhibited the enzymatic reactions associated with IN, being totally inactive against other viral (HIV-1 reverse transcriptase) and cellular (RNA polymerase II) nucleic acid-processing enzymes. On the other hand, title compounds were endowed with remarkable antiproliferative activity, whose potency correlated neither with the presence of catechols (possible source of reactive quinones) nor with inhibition of topoisomerases. The SARs developed for our compounds led to novel findings concerning the molecular determinants of IN inhibitory activity within the class of cinnamoyl-based structures. We hypothesize that these compounds bind to IN featuring the

  12. Design, Synthesis and Biological Evaluation of 1,4-Disubstituted-3,4-dihydroisoquinoline Compounds as New Tubulin Polymerization Inhibitors

    Directory of Open Access Journals (Sweden)

    Ling Zhang

    2015-05-01

    Full Text Available A series of 1,4-disubstituted-3,4-dihydroisoquinoline derivatives designed as tubulin polymerization inhibitors were synthesized. Their cytotoxic activities against the CEM leukemia cell line were evaluated. Most of them displayed moderate cytotoxic activities, and compounds 21 and 32 showed good activities with IC50 of 4.10 and 0.64 μM, respectively. The most potent compound 32 was further confirmed to be able to inhibit tubulin polymerization, and its hypothetical binding mode with tubulin was obtained by molecular docking.

  13. Synthesis report about the after-mine mission

    International Nuclear Information System (INIS)

    2003-07-01

    The French ministry of economy finances and industry has assigned the mission of evaluating the after-mine management system to the general inspection of finances and the general council of mines. The after-mine management system encompasses all procedures of coal, iron and potash mines closing down, land reclamation and environmental remedial action and site rehabilitation. This document makes first a status of the problems generated by the stoppage of mining activities: technical aspects, costs, institutional, organisational and juridical aspects, conservation of competences, international benchmarking elements and good practices implemented in foreign countries. Then, in a second part, this report presents the recommendations of the after-mine mission about the mastery of after-mine costs in agreement with the respect of the technical and social goals, with the development of the after-mine institutional system with the scheduled disappearance of Charbonnages de France and Mines de Potasses d'Alsace companies, and with the conservation of competences in the framework of the post-mine operational structure proposed by the mission. (J.S.)

  14. Study of the potential of energy storage - Investigation report - Synthesis

    International Nuclear Information System (INIS)

    Renaud, Arnaud; Fournie, Laurent; Girardeau, Pierre; Chammas, Maxime; Tarel, Guillaume; Chiche, Alice; De Freminville; Pierre; Lacroix, Olivier; Rakotojaona, Loic; Payen, Luc; Riu, Delphine; Kerouedan, Anne-Fleur

    2013-01-01

    The objective of this study is to assess, for France and its overseas territories, the potential of energy storage by 2030, and to identify the technological sectors which are the most economically relevant. A global surplus has been calculated, as well as the benefit from additional storage capacities. This benefit has been compared with cost predictions by 2030 for different storage technologies. Economically viable powers and types of energy storages are assessed with respect to different scenarios, and impacts in terms of associated jobs are assessed. The document reports and discusses the surplus assessment for the community, describes the various services provided by energy storage, presents the modelling scenarios and hypotheses, discusses the main results of valorisation for the community, presents the various energy storage technologies (gravity, thermodynamic, electrochemical, electrostatic, inertial, latent thermal, thermo-chemical, and power to gas), presents business models and deployment potential for different applications (mass storage of electricity in France, electricity storage in a non-connected area, decentralised electricity storage as a response to grid congestion, valorisation of an electricity storage, thermal storage on a heat network, cold storage, management of diffuse demand of hot water), and discusses implications regarding employment

  15. Alternate fuels and chemicals from synthesis gas: Vinyl acetate monomer. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Richard D. Colberg; Nick A. Collins; Edwin F. Holcombe; Gerald C. Tustin; Joseph R. Zoeller

    1999-01-01

    There has been a long-standing desire on the part of industry and the U.S. Department of Energy to replace the existing ethylene-based vinyl acetate monomer (VAM) process with an entirely synthesis gas-based process. Although there are a large number of process options for the conversion of synthesis gas to VAM, Eastman Chemical Company undertook an analytical approach, based on known chemical and economic principles, to reduce the potential candidate processes to a select group of eight processes. The critical technologies that would be required for these routes were: (1) the esterification of acetaldehyde (AcH) with ketene to generate VAM, (2) the hydrogenation of ketene to acetaldehyde, (3) the hydrogenation of acetic acid to acetaldehyde, and (4) the reductive carbonylation of methanol to acetaldehyde. This report describes the selection process for the candidate processes, the successful development of the key technologies, and the economic assessments for the preferred routes. In addition, improvements in the conversion of acetic anhydride and acetaldehyde to VAM are discussed. The conclusion from this study is that, with the technology developed in this study, VAM may be produced from synthesis gas, but the cost of production is about 15% higher than the conventional oxidative acetoxylation of ethylene, primarily due to higher capital associated with the synthesis gas-based processes.

  16. Synthesis report: System studies Bioenergy; Syntesrapport Systemstudier bioenergi

    Energy Technology Data Exchange (ETDEWEB)

    Berntsson, Thore [Chalmers Univ. of Technology, Goeteborg (Sweden). Dept. of Heat and Power Technology; Gustavsson, Leif [Mid Sweden Univ., Oestersund (Sweden). Dept. of Natural and Environmental Sciences; Hylander, Nippe [Aangpannefoereningen, Stockholm (SE)] (ed.)

    2003-07-01

    The present report marks the end of the research program 'System studies Bioenergy' (1998-2002). The program comprised 17 projects performed at 9 universities or research institutes. All project results were studied in order to identify: contributions to our present knowledge; possible gaps of knowledge, methodology or systems perspective that still exist; and the needs for further research. The projects can be classified into the following groups: Resource potential of forest fuels; Industrial use of biofuels; Potential for synthetic fuels (pellets, bio-oils and transportation fuels); System analysis of efficient use of biofuels; and Socio-economic analyses. The total potential for available biofuel has been estimated to be 125-175 TWh/year (excl. black liquors of paper industry). The potential demand is estimated to about 123 TWh/year, or distributed into the different sectors: Industry: 26 TWh/year, Buildings and services: 35 TWh/year, District heating: 31 TWh/year, and electric power generation (incl. cogeneration in district heating): 31 TWh/year. Further research is needed in the following areas: Systems and methodology of more generic character on optimization of production, refining and use of biofuels in order to substitute fossil fuels directly or indirectly; Heat sinks/district heating in combination with cogeneration vs. other power production in a long term perspective (> 10 years), in the light of new technologies, open markets, economic and political incentives; Energy efficiency in industry, esp. paper and pulp with its unique possibility for process integration, biofuel processing and CO{sub 2} separation; How far should the processing/refinement of biofuels go; Importance of factors of scale; New distributed (small-scale) energy technology; International trade in biofuels; Transport and handling costs for biofuel pellets in Europe; System aspects of implementation and incentives; How are biofuels affected if CO{sub 2} from fossil fuels

  17. Synthesis and characterization of a novel rhodamine labeled cholesterol reporter.

    Science.gov (United States)

    Maiwald, Alexander; Bauer, Olivia; Gimpl, Gerald

    2017-06-01

    We introduce the novel fluorescent cholesterol probe RChol in which a sulforhodamine group is linked to the sixth carbon atom of the steroid backbone of cholesterol. The same position has recently been selected to generate the fluorescent reporter 6-dansyl-cholestanol (DChol) and the photoreactive 6-azi-cholestanol. In comparison with DChol, RChol is brighter, much more photostable, and requires less energy for excitation, i.e. favorable conditions for microscopical imaging. RChol easily incorporates into methyl-β-cyclodextrin forming a water-soluble inclusion complex that acts as an efficient sterol donor for cells and membranes. Like cholesterol, RChol possesses a free 3'OH group, a prerequisite to undergo intracellular esterification. RChol was also able to support the growth of cholesterol auxotrophic cells and can therefore substitute for cholesterol as a major component of the plasma membrane. According to subcellular fractionation, slight amounts of RChol (~12%) were determined in low-density Triton-insoluble fractions whereas the majority of RChol was localized in non-rafts fractions. In phase-separated giant unilamellar vesicles, RChol preferentially partitions in liquid-disordered membrane domains. Intracellular RChol was transferred to extracellular sterol acceptors such as high density lipoproteins in a dose-dependent manner. Unlike DChol, RChol was not delivered to the cholesterol storage pathway. Instead, it translocated to endosomes/lysosomes with some transient contacts to peroxisomes. Thus, RChol is considered as a useful probe to study the endosomal/lysosomal pathway of cholesterol. Copyright © 2017 Elsevier B.V. All rights reserved.

  18. Synthesis of homogeneous Ca0.5Sr0.5FeO2.5+δ compound using a mirror furnace method

    International Nuclear Information System (INIS)

    Mahboub, M.S.; Zeroual, S.; Boudjada, A.

    2012-01-01

    Graphical abstract: X-ray diffraction pattern indexing of Ca 0.5 Sr 0.5 FeO 2.5+δ powder sample obtained by mirror furnace method after thermal treatment. Highlights: ► A homogenous compound Ca 0.5 Sr 0.5 FeO 2.5+δ has been synthesized for the first time by a mirror furnace method. ► Ca 0.5 Sr 0.5 FeO 2.5+δ powder sample is perfectly homogenous, confirmed by X-ray diffraction, Raman spectroscopy and EDS technique. ► The thermal treatment of Ca 0.5 Sr 0.5 FeO 2.5+δ powder sample can increase their average grain sizes. -- Abstract: A new synthesis method using melting zone technique via the double mirror furnace around 1600 °C is used to obtain homogenous brownmillerite compounds Ca 1−x Sr x FeO 2.5+δ in the range 0.3 ≤ x ≤ 0.7. These compounds play important role in understanding the mystery of the oxygen diffusion in the perovskite-related oxides. We have successfully solved the miscibility gap problem by synthesizing a good quality of homogenous powder samples of Ca 0.5 Sr 0.5 FeO 2.5+δ compound. Our result was confirmed by X-rays diffraction, Raman spectroscopy and energy dispersive spectroscopy analysis. Thermal treatment was also applied until 800 °C under vacuum to confirm again the homogeneity of powder samples, improve its quality and show that no decomposition or return to form Ca- and Sr-enriched microdomains takes place as a result of phase separation.

  19. Thermo-hydro-mechanical modelling of buffer, synthesis report

    International Nuclear Information System (INIS)

    Toprak, E.; Mokni, N.; Olivella, S.; Pintado, X.

    2013-08-01

    This study addresses analyses of coupled thermo-hydro-mechanical (THM) processes in a scheme considered for the spent nuclear fuel repository in Olkiluoto (Finland). The finite element code CODE B RIGHT is used to perform modelling calculations. The objective of the THM modelling was to study some fundamental design parameters. The time required to reach full saturation, the maximum temperature reached in the canister, the deformations in the buffer-backfill interface, the stress-deformation balance between the buffer and the backfill, the swelling pressure developed and the homogenization process development are critical variables. Because of the complexity of the THM processes developed, only a single deposition hole has been modelled with realistic boundary conditions which take into account the entire repository. A thermal calculation has been performed to adopt appropriate boundary conditions for a reduced domain. The modelling has been done under axisymmetric conditions. As a material model for the buffer bentonite and backfill soil, the Barcelona Basic Model (BBM) has been used. Simulation of laboratory tests conducted at B and Tech under supervision of Posiva has been carried out in order to determine the fundamental mechanical parameters for modelling the behaviour of MX-80 bentonite using the BBM model. The modelling process of the buffer-backfill interface is an essential part of tunnel backfill design. The calculations will aim to determine deformations in this intersection, the behaviour of which is important for the buffer swelling. The homogenization process is a key issue as well. Porosity evolution during the saturation process is evaluated in order to check if the final saturated density accomplishes the homogenization requirements. This report also describes the effect of the existence of an air-filled gap located between the canister and the bentonite block rings in thermo-hydro-mechanical behaviour of the future spent nuclear fuel repository in

  20. Thermo-hydro-mechanical modelling of buffer, synthesis report

    Energy Technology Data Exchange (ETDEWEB)

    Toprak, E.; Mokni, N.; Olivella, S. [Universitat Politecnica de Catalunya, Barcelona (Spain); Pintado, X. [B and Tech Oy, Helsinki (Finland)

    2013-08-15

    This study addresses analyses of coupled thermo-hydro-mechanical (THM) processes in a scheme considered for the spent nuclear fuel repository in Olkiluoto (Finland). The finite element code CODE{sub B}RIGHT is used to perform modelling calculations. The objective of the THM modelling was to study some fundamental design parameters. The time required to reach full saturation, the maximum temperature reached in the canister, the deformations in the buffer-backfill interface, the stress-deformation balance between the buffer and the backfill, the swelling pressure developed and the homogenization process development are critical variables. Because of the complexity of the THM processes developed, only a single deposition hole has been modelled with realistic boundary conditions which take into account the entire repository. A thermal calculation has been performed to adopt appropriate boundary conditions for a reduced domain. The modelling has been done under axisymmetric conditions. As a material model for the buffer bentonite and backfill soil, the Barcelona Basic Model (BBM) has been used. Simulation of laboratory tests conducted at B and Tech under supervision of Posiva has been carried out in order to determine the fundamental mechanical parameters for modelling the behaviour of MX-80 bentonite using the BBM model. The modelling process of the buffer-backfill interface is an essential part of tunnel backfill design. The calculations will aim to determine deformations in this intersection, the behaviour of which is important for the buffer swelling. The homogenization process is a key issue as well. Porosity evolution during the saturation process is evaluated in order to check if the final saturated density accomplishes the homogenization requirements. This report also describes the effect of the existence of an air-filled gap located between the canister and the bentonite block rings in thermo-hydro-mechanical behaviour of the future spent nuclear fuel

  1. Synthesis and structure of organoantimony(III) compounds containing antimony−selenium and −tellurium terminal bonds

    Czech Academy of Sciences Publication Activity Database

    Dostál, L.; Jambor, R.; Růžička, A.; Lyčka, A.; Brus, Jiří; de Proft, F.

    2008-01-01

    Roč. 27, č. 23 (2008), s. 6059-6062 ISSN 0276-7333 Grant - others:GA ČR(CZ) GP203/07/P094; GA MŠk(CZ) LC523 Program:LC Institutional research plan: CEZ:AV0Z40500505 Keywords : organometallic compounds Subject RIV: CA - Inorganic Chemistry Impact factor: 3.815, year: 2008

  2. Design, Synthesis and Biological Evaluation of Brain-Targeted Thiamine Disulfide Prodrugs of Ampakine Compound LCX001

    Directory of Open Access Journals (Sweden)

    Dian Xiao

    2016-04-01

    Full Text Available Ampakine compounds have been shown to reverse opiate-induced respiratory depression by activation of amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA glutamate receptors. However, their pharmacological exploitations are hindered by low blood-brain barrier (BBB permeability and limited brain distribution. Here, we explored whether thiamine disulfide prodrugs with the ability of “lock-in” can be used to solve these problems. A series of thiamine disulfide prodrugs 7a–7f of ampakine compound LCX001 was synthesized and evaluated. The trials in vitro showed that prodrugs 7e, 7d, 7f possessed a certain stability in plasma and quickly decomposed in brain homogenate by the disulfide reductase. In vivo, prodrug 7e decreased the peripheral distribution of LCX001 and significantly increased brain distribution of LCX001 after i.v. administration. This compound showed 2.23- and 3.29-fold greater increases in the AUC0-t and MRT0-t of LCX001 in brain, respectively, than did LCX001 itself. A preliminary pharmacodynamic study indicated that the required molar dose of prodrug 7e was only one eighth that of LCX001 required to achieve the same effect in mice. These findings provide an important reference to evaluate the clinical outlook of ampakine compounds.

  3. Synthesis and biological activity of chimeric structures derived from the cytotoxic natural compounds dolastatin 10 and dolastatin 15.

    Science.gov (United States)

    Poncet, J; Busquet, M; Roux, F; Pierré, A; Atassi, G; Jouin, P

    1998-04-23

    The natural cytotoxic compounds dolastatins 10 and 15 exhibit great similarities in structure and in their biological activity profiles. Two compounds (1 and 2) formed by interchanging the dolaisoleuine residue of dolastatin 10 and the MeVal-Pro dipeptide of dolastatin 15 were synthesized in order to evaluate the possible equivalence of these units. These compounds can be considered as chimeras of dolastatins 10 and 15 formed by the N-terminal part of the former and the C-terminal part of the latter and vice versa. Both analogues exhibited a marked decrease in their cytotoxic activity but showed similar differential cytotoxicity with regard to the cell lines assayed compared with the parent compounds. HT-29 cell line was the least sensitive one. However, this activity was in the nanomolar level and close to that of vincristine. The differences in their effect on tubulin polymerization were less pronounced. We confirmed the already known crucial role of the Dil residue in this assay. The nonequivalence of the Dil unit and the MeVal-Pro dipeptide probably reflects modification in the relative positions of the N-dimethylamino and the phenyl moieties.

  4. New Approaches for the Synthesis, Cytotoxicity and Toxicity of Heterocyclic Compounds Derived from 2-Cyanomethylbenzo[c]imidazole.

    Science.gov (United States)

    Mohareb, Rafat M; Mohamed, Abeer A; Abdallah, Amira E M

    2016-01-01

    The reaction of ethyl cyanoacetate with o-phenylenediamine gave the 2-cyanomethylbenzo[c]imidazole (1). The latter compound was used as the key starting material to synthesise biologically active heterocyclic derivatives. Thus, the reaction of 1 with cyclohexanone and either of benzaldehyde, 4-methoxybenzaldehyde or 4-chlorobenzaldehyde gave the annulated derivatives 2a-c, respectively. The antitumor evaluations of the newly synthesized products against the three cancer cell lines MCF-7 (breast adeno-carcinoma), NCI-H460 (non-small cell lung cancer) and SF-268 (CNS cancer) showed that compounds 2b, 6, 11b, 11c, 12b, 16a, 16b and 18a exhibited optimal cytotoxic effect against cancer cell lines, with IC50 values in the nM range. Bioactive compounds are often toxic to shrimp larvae. Thus, in order to monitor these chemicals in vivo lethality to shrimp larvae (Artemia salina), Brine-Shrimp Lethality Assay was used. Compounds 11b, 12b and 16b showed no toxicity against the tested organisms.

  5. Synthesis, characterization, and thermochemistry of the solid state coordination compound Zn(Nic){sub 2} . H{sub 2}O(s) (Nic = nicotinic acid)

    Energy Technology Data Exchange (ETDEWEB)

    Di Youying [College of Chemistry and Chemical Engineering, Liaocheng University, Liaocheng 252059, Shandong (China)], E-mail: yydi@lcu.edu.cn; Hong Yuanping; Kong Yuxia; Yang Weiwei [College of Chemistry and Chemical Engineering, Liaocheng University, Liaocheng 252059, Shandong (China); Tan Zhicheng [Thermochemistry Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China)

    2009-01-15

    A novel compound, viz. zinc nicotinate monohydrate, was synthesized by the method of room temperature solid phase synthesis. The techniques of FT-IR chemical and elemental analyses and X-ray powder diffraction were applied to characterise the structure and composition of the complex. In accordance with Hess' law, a thermochemical cycle was designed and the enthalpy change of the solid phase reaction of nicotinic acid with hydrated zinc acetate was determined to be {delta}{sub r}H{sub m}{sup 0}=(46.71{+-}0.21)kJ.mol{sup -1} by use of an isoperibol solution-reaction calorimeter. The standard molar enthalpy of formation of the title complex Zn(Nic){sub 2} . H{sub 2}O(s) was calculated as -(1062.3 {+-} 2.0) kJ . mol{sup -1} by use of the enthalpies of dissolution and other auxiliary thermodynamic data.

  6. Short synthesis and antimalarial activity of fagaronine

    OpenAIRE

    Rivaud, M.; Mendoza, A.; Sauvain, Michel; Valentin, A.; Jullian, Valérie

    2012-01-01

    Herein, we report a new synthesis of fagaronine 1, inspired by the synthesis reported by Luo for nornitidine. The in vitro biological activity of fagaronine against malaria on several chloroquine-sensitive and resistant Plasmodium falciparum strains was confirmed, and the selectivity index compared to mammalian cells was calculated. Fagaronine was found to have very good antimalarial activity in vivo, comparable to the activity of the reference compound chloroquine. Therefore, fagaronine appe...

  7. Terminator Operon Reporter: combining a transcription termination switch with reporter technology for improved gene synthesis and synthetic biology applications.

    Science.gov (United States)

    Zampini, Massimiliano; Mur, Luis A J; Rees Stevens, Pauline; Pachebat, Justin A; Newbold, C James; Hayes, Finbarr; Kingston-Smith, Alison

    2016-05-25

    Synthetic biology is characterized by the development of novel and powerful DNA fabrication methods and by the application of engineering principles to biology. The current study describes Terminator Operon Reporter (TOR), a new gene assembly technology based on the conditional activation of a reporter gene in response to sequence errors occurring at the assembly stage of the synthetic element. These errors are monitored by a transcription terminator that is placed between the synthetic gene and reporter gene. Switching of this terminator between active and inactive states dictates the transcription status of the downstream reporter gene to provide a rapid and facile readout of the accuracy of synthetic assembly. Designed specifically and uniquely for the synthesis of protein coding genes in bacteria, TOR allows the rapid and cost-effective fabrication of synthetic constructs by employing oligonucleotides at the most basic purification level (desalted) and without the need for costly and time-consuming post-synthesis correction methods. Thus, TOR streamlines gene assembly approaches, which are central to the future development of synthetic biology.

  8. Direct Synthesis of 5-Aryl Barbituric Acids by Rhodium(II)-Catalyzed Reactions of Arenes with Diazo Compounds.

    Science.gov (United States)

    Best, Daniel; Burns, David J; Lam, Hon Wai

    2015-06-15

    A commercially available rhodium(II) complex catalyzes the direct arylation of 5-diazobarbituric acids with arenes, allowing straightforward access to 5-aryl barbituric acids. Free N-H groups are tolerated on the barbituric acid, with no complications arising from N-H insertion processes. This method was applied to the concise synthesis of a potent matrix metalloproteinase (MMP) inhibitor. © 2015 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.

  9. Convergent and sequential synthesis designs: implications for conducting and reporting systematic reviews of qualitative and quantitative evidence.

    Science.gov (United States)

    Hong, Quan Nha; Pluye, Pierre; Bujold, Mathieu; Wassef, Maggy

    2017-03-23

    Systematic reviews of qualitative and quantitative evidence can provide a rich understanding of complex phenomena. This type of review is increasingly popular, has been used to provide a landscape of existing knowledge, and addresses the types of questions not usually covered in reviews relying solely on either quantitative or qualitative evidence. Although several typologies of synthesis designs have been developed, none have been tested on a large sample of reviews. The aim of this review of reviews was to identify and develop a typology of synthesis designs and methods that have been used and to propose strategies for synthesizing qualitative and quantitative evidence. A review of systematic reviews combining qualitative and quantitative evidence was performed. Six databases were searched from inception to December 2014. Reviews were included if they were systematic reviews combining qualitative and quantitative evidence. The included reviews were analyzed according to three concepts of synthesis processes: (a) synthesis methods, (b) sequence of data synthesis, and (c) integration of data and synthesis results. A total of 459 reviews were included. The analysis of this literature highlighted a lack of transparency in reporting how evidence was synthesized and a lack of consistency in the terminology used. Two main types of synthesis designs were identified: convergent and sequential synthesis designs. Within the convergent synthesis design, three subtypes were found: (a) data-based convergent synthesis design, where qualitative and quantitative evidence is analyzed together using the same synthesis method, (b) results-based convergent synthesis design, where qualitative and quantitative evidence is analyzed separately using different synthesis methods and results of both syntheses are integrated during a final synthesis, and (c) parallel-results convergent synthesis design consisting of independent syntheses of qualitative and quantitative evidence and an

  10. The compositional study of nitrogen and oxygen compounds in products of heavy oil primary and secondary upgrading processes. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Chmielowiec, J.

    1986-02-01

    The primary objective was to characterize nitrogen and oxygen compound types in the upgraded products derived from Athabasca bitumen. Nitrogen compounds, depending on their nature and concentrations, in charge stocks to catalytic processess (hydro-processes and reforming) can severely limit or poison the catalyst activity. Oxygen compounds are corrosive (especially naphthenic acids) and can promote gum formation as part of the deterioration of the hydrocarbons in the petroleum product. A secondary objective was to evaluate the advantages and limitations of in-house mass spectrometry and infrared spectroscopy methods for analyzing specific classes of polar compounds in naphthas, middle distillates, and gas oils. An analytical procedure that was based on the discrimination of polar compound classes using liquid chromatography followed by mass spectrometric analysis was tested. The chemical intelligence on the fractions obtained from Athabasca bitumen and its upgrading products has been advanced by determining structural characteristics of the nitrogen and oxygen components. This report describes the determination of the distributions of nitrogen and oxygen compounds in samples from various process streams. This procedure is capable of providing information useful for evaluating hydrodenitrogenation and hydrodeoxygenation reactions.

  11. Synthesis, physical-chemical and biological properties of 1,8-disubstituted compounds of theobromine. III. 8-Amino-p-chlorobenzyltheobromines

    Directory of Open Access Journals (Sweden)

    D. G. Ivanchenko

    2014-08-01

    Full Text Available Introduction. This work is a follow-up to a series of research activities dedicated to the search of biologically active compounds among the xanthine derivatives. Aim of the Work.Development of simple laboratory-based methods for 8-amino-1-p-chlorobenzyltheobromines synthesis and the study of antioxidant, antimicrobial and antifungal effect of the synthesized compounds. Materials and Methods of Research.The melting point has been determined with the help of an open capillary method with TAP device (M. Elemental analysis has been performed with the helpof the instrument ElementarVario L cube, NMR-spectra have been taken on a spectrometer Bruker SF-400 (operating frequency of 400 MHz, solvent DMSO-d6 or DMSO-d6 + CDCl3, internal standard – TMS. These data correspond to thecalculated elemental analysis. The synthesis of 8-aminosubstituted 1-p-chlorobenzyltheobromine (2,3.Mixture 0.01 mole of8-bromo-1-p-chlorobenzyltheobromine (1, 0.03 mole of pyrrolidine (2 or piperidine (3, 40 ml of cellosolve is boiled during 4 hours, then it is allowed to steam out dry in a vacuum. Dry residue is processed with water, then residual matter which has been formed is filtered out, washed with water and recrystallized from the aqueous ethanol. The synthesis of 8-amino-1-p-chlorobenzyltheobromines (4-7. Mixture 0.01 mole of initial compound (1, 0.03 mole of the respective amine and 40 ml of cellosolve is boiled during 4 hours, thenit is allowed to cool down and is diluted with water. After this, residual matter which has been formed is filtered out, washed with water and aqueous propanol-2 and recrystallized from the water ethanol. Molecular descriptors have been calculated using the computer programs ALOGPS and DRAGON, whereas biological properties of the synthesized compounds have been calculated with the help of GUSAR and ACD / Percepta Platform. Antioxidant activity (AOA has been studied in vitro applying the method of nonenzymic initiation of free

  12. Antibacterial Compounds from Red Seaweeds (Rhodophyta

    Directory of Open Access Journals (Sweden)

    Noer Kasanah

    2015-07-01

    Full Text Available Seaweeds produce great variety of metabolites benefit for human. Red seaweeds (Rhodophyta are well known as producer of phycocolloids such agar, agarose, carragenan and great variety of secondary metabolites. This review discusses the red algal secondary metabolites with antibacterial activity. The chemical constituents of red algae are steroid, terpenoid, acetogenin and dominated by halogenated compounds mainly brominated compounds. Novel compounds with intriguing skeleton are also reported such as bromophycolides and neurymenolides. In summary, red seaweeds are potential sources for antibacterial agents and can serve as lead in synthesis of new natural medicines.

  13. Synthesis of nanoscale layers of heteropoly compounds based on molybdophosphoric acid by ion lamination on the silica surface

    International Nuclear Information System (INIS)

    Gulina, L.B.; Tolstoj, V.P.

    2004-01-01

    Nanolayers of iso- and heteropolycompound of the composition Zr 2.6 (OH) x PMo 8.0 Sn 1.9 O y · nH 2 O were synthesized by the method of ion lamination during successive treatment of quartz substrate by water solutions of reduced molybdophosphoric acid and zirconium acetate. The compounds prepared were characterized by the methods of electronic, IR and X-ray photoelectron spectroscopy. It was shown that heating of the compounds in the air at 200-400 deg C involves removal of water molecules from the layer, Mo 5+ oxidation to Mo 6+ and formation of chemical bonds Mo-O-Zr and Mo-O-Sn [ru

  14. Stereoselective synthesis of tricyclic compounds by intramolecular palladium-catalyzed addition of aryl iodides to carbonyl groups

    Directory of Open Access Journals (Sweden)

    Jakub Saadi

    2016-06-01

    Full Text Available Starting from γ-ketoesters with an o-iodobenzyl group we studied a palladium-catalyzed cyclization process that stereoselectively led to bi- and tricyclic compounds in moderate to excellent yields. Four X-ray crystal structure analyses unequivocally defined the structure of crucial cyclization products. The relative configuration of the precursor compounds is essentially transferred to that of the products and the formed hydroxy group in the newly generated cyclohexane ring is consistently in trans-arrangement with respect to the methoxycarbonyl group. A transition-state model is proposed to explain the observed stereochemical outcome. This palladium-catalyzed Barbier-type reaction requires a reduction of palladium(II back to palladium(0 which is apparently achieved by the present triethylamine.

  15. Synthesis, Structures and Properties of Cobalt Thiocyanate Coordination Compounds with 4-(hydroxymethyl)pyridine as Co-ligand

    OpenAIRE

    Stefan Suckert; Luzia S. Germann; Robert E. Dinnebier; Julia Werner; Christian Näther

    2016-01-01

    Reaction of Co(NCS)2 with 4-(hydroxymethyl)pyridine (hmpy) leads to the formation of six new coordination compounds with the composition [Co(NCS)2(hmpy))4] (1), [Co(NCS)2(hmpy)4] × H2O (1-H2O), [Co(NCS)2(hmpy)2(EtOH)2] (2), [Co(NCS)2(hmpy)2(H2O)2] (3), [Co(NCS)2(hmpy)2]n∙4 H2O (4) and [Co(NCS)2(hmpy)2]n (5). They were characterized by single crystal and powder X-ray diffraction experiments, thermal and elemental analysis, IR and magnetic measurements. Compound 1 and 1-H2O form discrete comple...

  16. 1,3-thiazolium-5-thiolates mesoionic compounds: semiempirical evaluation of their first static hyperpolarizabilities and synthesis of new examples

    Energy Technology Data Exchange (ETDEWEB)

    Lyra, Bruno F.; Morais, Soraya A. de; Rocha, Gerd B.; Athayde-Filho, Petronio F. de, E-mail: gbr@quimica.ufpb.b [Universidade Federal da Paraiba (UFPB), Joao Pessoa, PB (Brazil). Dept. de Quimica; Miller, Joseph [Universidade Federal da Paraiba (UFPB), Joao Pessoa, PB (Brazil). Lab. de Tecnologia Farmaceutica; Moura, Gustavo L.C.; Simas, Alfredo M. [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Dept. de Quimica Fundamental; Peppe, Clovis [Universidade Federal de Santa Maria (UFSM), RS (Brazil). Dept. de Quimica

    2010-07-01

    Semiempirical AM1-TDHF calculations of the static first hyperpolarizabilities, beta(0), of 1,3-thiazolium-5-thiolate mesoionic derivatives were performed. Guided by these results, two new mesoionic compounds - 2-(4-nitrophenyl)-3-methyl-4-(methylphenyl)-1,3-thiazolium-5-thiolate and 2-(4-nitrophenyl)-3-methyl-4-(methoxyphenyl)-1,3-thiazolium-5-thiolate - were synthesized and characterized by analytical and spectroscopic means. (author)

  17. Designer HF-Based Fluorination Reagent: Highly Regioselective Synthesis of Fluoroalkenes and gem-Difluoromethylene Compounds from Alkynes

    Science.gov (United States)

    2015-01-01

    Hydrogen fluoride (HF) and selected nonbasic and weakly coordinating (toward cationic metal) hydrogen-bond acceptors (e.g., DMPU) can form stable complexes through hydrogen bonding. The DMPU/HF complex is a new nucleophilic fluorination reagent that has high acidity and is compatible with cationic metal catalysts. The gold-catalyzed mono- and dihydrofluorination of alkynes using the DMPU/HF complex yields synthetically important fluoroalkenes and gem-difluoromethlylene compounds regioselectively. PMID:25260170

  18. The management committee for post-accidental management - CODIRPA. Synthesis and report by each work group

    International Nuclear Information System (INIS)

    2012-01-01

    This huge document contains several parts and reports. The first part contains a report addressing zoning (proposition for the definition of zones just after the emergency phase). The other parts contain stage reports, seminar synthesis, presentations, and final reports made by the different work groups. The topics of these work groups are: Lifting emergency actions of protection of population and reducing the contact between the body and a radioactive source in built environment; Life in contaminated rural territories, agriculture and water; Assessment of radiological and dosimetric consequences; Health monitoring of populations; Compensation; Management of contaminated soils, products and wastes; Organization of public authorities and commitment of stakeholders; Communication; Hypotheses (choice of hypotheses for the assessment of radiological and dosimetric consequences); Interveners; Water (management of water resources); Regulation; Culture; Centre for population reception and information. A last report has been published by a commission on guidelines for preparation to the long-term management of contaminated territories after a nuclear accident

  19. Photocatalytic and chemical oxidation of organic compounds in supercritical carbon dioxide. 1998 annual progress report

    International Nuclear Information System (INIS)

    Blake, D.M.

    1998-01-01

    'This report summarizes the results of work done during the first 1.3 years of a three year project. During the first nine months effort focussed on the design, construction and testing of a closed recirculating system that can be used to study photochemistry in supercritical carbon dioxide at pressures up to 5,000 psi and temperatures up to about 50 C. This was followed by a period of work in which the photocatalytic oxidation of benzene and acetone in supercritical, liquid, and gaseous carbon dioxide containing dissolved oxygen was demonstrated. The photocatalyst was titanium dioxide supported on glass spheres. This was the first time it was possible to observe photocatalytic oxidation in a supercritical fluid and to compare reaction in the three fluid phases of a solvent. This also demonstrated that it is possible to purify supercritical and liquid carbon dioxide using photochemical oxidation with no chemical additions other than oxygen. The oxidation of benzene produced no intermediates detectable using on line spectroscopic analysis or by gas chromatographic analysis of samples taken from the flow system. The catalyst surface did darken as the reaction proceeded indicating that oxidation products were accumulating on the surface. This is analogous to the behavior of aromatic compounds in air phase photocatalytic oxidation. The reaction of acetone under similar conditions resulted in the formation of low levels of by-products. Two were identified as products of the reaction of acetone with itself (4-methyl-3-penten-2-one and 4-hydroxy-4-methyl-2-pentanone) using gas chromatography with a mass spectrometer detector. Two other by-products also appear to be from the self-reaction of acetone. By-products of this type had not been observed in prior studies of the gas-phase photocatalytic oxidation of acetone. The by-products that have been observed can also be oxidized under the treatment conditions. The above results establish that photocatalytic oxidation of

  20. Synthesis, characterization, crystal structure and theoretical study of a compound with benzodiazole ring: antimicrobial activity and DNA binding.

    Science.gov (United States)

    Latha, P; Kodisundaram, P; Sundararajan, M L; Jeyakumar, T

    2014-08-14

    2-(Thiophen-2-yl)-1-((thiophen-2-yl)methyl)-1H-1,3-benzodiazole (HL) is synthesized and characterized by elemental analysis, UV-Vis, FT-IR, (1)H, (13)C NMR, mass spectra, scanning electron microscope (SEM) and single crystal X-ray diffraction. The crystal structure is stabilized by intermolecular CH⋯N and CH⋯π interactions. The molecular structure is also optimized at the B3LYP/6-31G level using density functional theory (DFT). The structural parameters from the theory are nearer to those of crystal, the calculated total energy of coordination is -1522.814a.u. The energy of HOMO-LUMO and the energy gap are -0.20718, -0.04314, 0.16404a.u, respectively. All data obtained from the spectral studies support the structural properties of the compound HL. The benzimidazole ring is essentially planar. The in vitro biological screening effects of the synthesized compound is tested against four bacterial and four fungal strains by well diffusion method. Antioxidant property and DNA binding behaviour of the compound has been investigated using spectrophotometric method. Copyright © 2014 Elsevier B.V. All rights reserved.

  1. Characterization and synthesis of volatile compounds from the defensive secretions of some "daddy longlets" (Arachnida: Opiliones: Leiobunum spp.).

    Science.gov (United States)

    Jones, T H; Meinwald, J; Hicks, K; Eisner, T

    1977-02-01

    Analyses of the chief volatile constituents of the defensive secretions of three oplionids were carried out. Leiobunum nigripalpi produces three closely related C7 compounds: E-4-methyl-4-hexen-3-one(I), 4-methylhexan-3-one(II), and 4-methylhexan-3-ol(III), along with E-4-methyl-4-hepten-3-one(IV), E,E-2,4-dimethylhexa-2,4-dienal(IX), and a minor, unidentified component. L. leiopenis secretion contains E-4-methyl-4-hepten-3-one(IV), 4-methylheptan-3-one(V), E,E-2,4-dimethylhexa-2,4-dien-1-ol(VII), and E,E-2,4-dimethylhepta-2,4-dien-1-ol(VIII). L. calcar yields chiefly E-4,6-dimethyl-6-octen-3-one(VI) and E,E-2,4-dimethylhexa-2,4-dien-1-ol(VII). Six of these compounds are new natural products. The structures of these compounds, which can be regarded either as polyketide-derived or as modified isoprenoids, raise interesting biosynthetic questions.

  2. Synthesis and Regioselective Reaction of Some Unsymmetrical Heterocyclic Chalcone Derivatives and Spiro Heterocyclic Compounds as Antibacterial Agents.

    Science.gov (United States)

    El-Hashash, Maher A; Rizk, Sameh A; Atta-Allah, Saad R

    2015-12-10

    A number of novel heterocyclic chalcone derivatives can be synthesized by thermal and microwave tools. Treatment of 4-(4-Acetylamino- and/or 4-bromo-phenyl)-4-oxobut-2-enoic acids with hydrogen peroxide in alkaline medium were afforded oxirane derivatives 2. Reaction of the epoxide 2 with 2-amino-5-aryl-1,3,4-thiadiazole derivatives yielded chalcone of imidazo[2,1-b]thiadiazole derivative 4 via two thermal routes. In one pot reaction of 4-bromoacetophenone, diethyloxalate, and 2-amino-5-aryl-1,3,4-thiadiazole derivatives in MW irradiation (W 250 and T 150 °C) under eco-friendly conditions afforded an unsuitable yield of the desired chalcone 4d. The chalcone derivatives 4 were used as a key starting material to synthesize some new spiroheterocyclic compounds via Michael and aza-Michael adducts. The chalcone 4f was similar to the aryl-oxo-vinylamide derivatives for the inhibition of tyrosine kinase and cancer cell growth. The electron-withdrawing substituents, such as halogens, and 2-amino-1,3,4-thiadiazole moeity decreasing the electron density, thereby decreasing the energy of HOMO, and the presence of imidazothiadiazole moiety should improve the antibacterial activity. Thus, the newly synthesized compounds were evaluated for their anti-bacterial activity against (ATCC 25923), (ATCC 10987), (ATCC 274,) and (SM514). The structure of the newly synthesized compounds was confirmed by elemental analysis and spectroscopic data.

  3. Hybrid compounds of Keggin polyoxotungstate with transition metal ion as the central atom. Synthesis, structure and properties

    Science.gov (United States)

    Li, Xiao-Min; Chen, Ya-Guang; Shi, Tian

    2016-02-01

    The compounds (Hbipy)2[Co(bipy)2(H2O)4]2(CoW12O40)·2bipy·7H2O (1) and [Ni2(Hbipy)2(bipy)(H2O)4(H2W12O40)]·5H2O (2) (bipy = 4,4-bipyridine) were synthesized hydrothermally and characterized by elemental analysis, IR spectroscopy, TG analyses, solid ultraviolet diffuse spectroscopy and single crystal X-ray diffraction method. In 1 the complex ions, [Co(bipy)2(H2O)4]2+, construct a supramolecular layer through π-π stacking interaction. The heteropolyanions with central Co atom and supramolecular layers are linked by hydrogen bonds. In 2 a 2D structure is formed from metatungstate anions and binuclear Ni-bipy complexes through the coordination of metatungstate anions and bipy to Ni ions. Between the layers and bipyridine molecules are the hydrogen bond interactions. The formation of 1 and 2 shows that the solution acidity and metal ions influence greatly the structure of the compounds. Solid ultraviolet diffusion results indicate that the compounds 1 and 2 are potential semiconductor materials. In 1 and 2 there exists a weak antiferromagnetic interaction.

  4. Chemiresistor microsensors for in-situ monitoring of volatile organic compounds : final LDRD report.

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, Michael Loren; Hughes, Robert Clark; Kooser, Ara S.; McGrath, Lucas K.; Ho, Clifford Kuofei; Wright, Jerome L.; Davis, Chad Edward

    2003-09-01

    This report provides a summary of the three-year LDRD (Laboratory Directed Research and Development) project aimed at developing microchemical sensors for continuous, in-situ monitoring of volatile organic compounds. A chemiresistor sensor array was integrated with a unique, waterproof housing that allows the sensors to be operated in a variety of media including air, soil, and water. Numerous tests were performed to evaluate and improve the sensitivity, stability, and discriminatory capabilities of the chemiresistors. Field tests were conducted in California, Nevada, and New Mexico to further test and develop the sensors in actual environments within integrated monitoring systems. The field tests addressed issues regarding data acquisition, telemetry, power requirements, data processing, and other engineering requirements. Significant advances were made in the areas of polymer optimization, packaging, data analysis, discrimination, design, and information dissemination (e.g., real-time web posting of data; see www.sandia.gov/sensor). This project has stimulated significant interest among commercial and academic institutions. A CRADA (Cooperative Research and Development Agreement) was initiated in FY03 to investigate manufacturing methods, and a Work for Others contract was established between Sandia and Edwards Air Force Base for FY02-FY04. Funding was also obtained from DOE as part of their Advanced Monitoring Systems Initiative program from FY01 to FY03, and a DOE EMSP contract was awarded jointly to Sandia and INEEL for FY04-FY06. Contracts were also established for collaborative research with Brigham Young University to further evaluate, understand, and improve the performance of the chemiresistor sensors.

  5. Synthesis and characterization of nanometer sized thermoelectric lead-antimony-silver-tellurium compounds and related materials; Synthese und Charakterisierung nanoskaliger Thermoelektrika der LAST (Lead-Antimony-Silver-Tellurium)-Familie und verwandter Verbindungen

    Energy Technology Data Exchange (ETDEWEB)

    Petri, Denis

    2012-09-10

    The present dissertation deals with different variants of synthesis and processing of nanocrystalline composites of various thermoelectric compounds based on lead telluride including LAST-m (AgPb{sub m}SbTe{sub m+2}), LASTT-m-x (AgPb{sub m-x}Sn{sub x}SbTe{sub m+2}), LABST-m-x (AgPb{sub m}Sb{sub 1-x}Bi{sub x}Te{sub m+2}), doped LAST-m and (PbTe){sub m}(M{sup 15}{sub 2}Te{sub 3}) and the characterization thereof. A new route of manufacturing nanocrystalline composites was developed. The so called co-ball milling-route includes the synthesis of bi- or multinary compounds by conventional solid state melting methods followed by combined milling of appropriate amounts in a planetary ball mill; a process related to the widely used mechanical alloying of elemental powders. The as produced powders were shortly annealed for one hour and a.erwards compacted either at room temperature followed by pressureless sintering or combined application of high pressure and elevated temperatures via spark-plasma-sintering or short-term-sintering. The ball milling yielded micron-sized agglomerates consisting of crystallites with diameters ranging from 10 to 50 nm. These crystallites exhibited complicated internal nanostructures severe crystal defects as a consequence of the high energy processing. During short-term annealing some grain coarsening occured and the crystal defects partly healed, which was confirmed by TEM and HRTEM investigations as well as profile analysis of XRD powder pattern. Local EDX-analysis showed different compositions at every point as a consequence of synthesis and decomposition of the compounds. Measurements of thermopower, electrical and thermal conductivity were carried out and the values of the figure of merit ZT and the powerfactor were calculated. In general the compounds exhibited larger thermopower than corresponding bulk materials, which might be attributed to energy filtering of charge carriers at partly oxidized grain boundaries. Due to enhanced phonon

  6. Self-assembly of novel manganese (II) compounds based on bifunctional-group ligands: Synthesis, structures, and magnetic properties

    Science.gov (United States)

    Yan, Juan-zhi; Lu, Li-ping; Zhu, Miao-li; Feng, Si-si

    2018-06-01

    Four manganese (II) compounds are obtained by the reaction of manganese salts, triazole-derivatives and auxiliary reagents in aqueous solution or mix-solvents by routine or hydrothermal reactions. X-ray crystal structure analyses reveal that a neutral 0D compound [Mn(Hmctrz)2(H2O)2] (1) (H2mctrz = 1H-1,2,4-triazole-3-carboxylic acid) displays a centro-symmetric mononuclear octahedral entity with two Hmctrz- anions and two water molecules; two neutral 2D clusters [Mn(Hdctrz)(H2O)2]n (2) (H3dctrz = 1H-1,2,4-triazole-3,5-dicarboxylic acid) and [Mn2(pbtrz)(btca)]n·4nH2O (3) (pbtrz = 1,3-bis(1,2,4-triazol-1-yl)-propane&H4btca = benzene-1,2,4,5-tetracarboxylic acid) possess layer structures with Hdctrz2- linkers (2) and Mn(II)-pbtrz-Mn(II) building blocks periodically extended by μ-btca4- connectors (3); [Mn(pbtrz)]n·nOAc·nOH (4) shows a 3D diamond-shaped cationic framework with the anion void volume of 49.2%. Nitrogenous bases are used as the auxiliary ligand in compound 3 and the temple ligand in compounds 1, 2, and 4. Compounds 1-4 show antiferromagnetic coupling that has been fitted by different models with the molecular field approximate with D = - 0.129(1) cm-1 for 1, J = - 0.354(4) cm-1 for 2 and J = - 0.696(6) cm-1 for 3, respectively. The magnetic differences can be related to different superexchange interactions transmitted by the crystal lattice and/or the zero field splitting (ZFS) of the 6A1g single-ion states of 1 and the syn-anti-COO- of 2 as well as the mixed magnetic bridges of μ1-O and μ-pbtrz-μ-COO- of 3.

  7. Synthesis Report

    DEFF Research Database (Denmark)

    Attila, Károly; Gács, János; Hunya, Gabor

    role in structural changes and modernisation processes of CEECs’ economies. 2 However, the economic crisis and the rise of global competition from other, mainly Asian, emerging economies challenge the future sustainability of the development model adopted by CEECs. This triggers also questions about...

  8. Synthesis of nanolayers hydroxo-(SnxOyHz) and heteropoly-(HxPWyOz) compounds of hybrid-type on silica surfaces by successive ionic layer deposition method

    International Nuclear Information System (INIS)

    Tolstoy, V.P.; Gulina, L.B.; Korotchenkov, G.S.; Brynsari, V.I.

    2004-01-01

    We determined the synthesis conditions for successive ionic layer deposition of the Sn 16 (OH) x PW 19 O y ·nH 2 O nanolayers on silica surfaces. The synthesized layers were characterized using UV-Vis and FTIR absorption spectroscopies, X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), scanning electron microscopy (SEM), and atomic force microscopy (AFM). On heating the as-synthesized layers to 200-500 deg. C in air, incorporated water evaporate, while M-OH groups are condensed and concentration of the W-O-W and W-O-Sn bonds increase. The layers have amorphous agglomerate-like structure. The agglomerate size is from 20 to 100 nm. Upon heating to 600 deg. C, the size insignificantly increases, the agglomerate form being practically unchanged. The data obtained allow conclusion that the layers present a hybrid compound consisting of fragments of isopoly-(Sn x O y H z ) and heteropoly-(H x PW y O z ) compounds

  9. Synthesis of Cyclohexane-Fused Isocoumarins via Cationic Palladium(II)-Catalyzed Cascade Cyclization Reaction of Alkyne-Tethered Carbonyl Compounds Initiated by Intramolecular Oxypalladation of Ester-Substituted Aryl Alkynes.

    Science.gov (United States)

    Zhang, Jianbo; Han, Xiuling; Lu, Xiyan

    2016-04-15

    A cationic Pd(II)-catalyzed cascade cyclization reaction of alkyne-tethered carbonyl compounds was developed. This reaction is initiated by intramolecular oxypalladation of alkynes with an ester group followed by 1,2-addition of the formed C-Pd(II) bond to the carbonyl group, providing a highly efficient method for the synthesis of cyclohexane-fused isocoumarins.

  10. Study of the effects of radiation of nucleic acids and related compounds. Progress report, August 15, 1975--August 14, 1976

    International Nuclear Information System (INIS)

    Wang, S.Y.

    1976-04-01

    Ionizing radiation produces genetic effects in biological systems. Since genetic effects are usually the result of modifications of DNA or sometimes of RNA, interest is being centered on the chemical and physical nature of radiation-induced lesions to nucleic acids and their components. These investigations have revealed the enormous complexity of chemical events and the possible degradation of nucleic acids by strand breakage. Therefore, work in the ionization radiation of nucleic acids has proceeded along a dual course. On the one hand, molecular changes have been characterized for a number of primary radiation products. On the other hand, strand breakage has been investigated intensively as a direct primary event. Both of these aspects were emphasized in our research last year. We succeeded in improving the synthesis of 5-hydroxy-methyl thymine (α-TOOH). α-TOOH was found to be much more effective than cis-5,6-dihydro-6-hydroperoxy-5-hydroxy thymine (6-TOOH) in the inactivation of transforming DNA of H. influenzae cells although α-TOOH is much less reactive chemically than 6-TOOH. 6-TOOH causes inactivation and acts as an inhibitor of DNA synthesis in mammalian cells. In addition, evidence may indicate that 6-TOOH does not induce strand breaks directly in DNA although we showed that 6-TOOH is a clastogenic compound

  11. Synthesis and Characterization of a New Coordinative Compound of Cu(II with 1-(3 Bromo, 2 Hydroxy, 4 Methylphenyl- 2-(4 Bromo-Phenyl-Sulphanyl- Etanone

    Directory of Open Access Journals (Sweden)

    Antighin Simona

    2015-07-01

    Full Text Available Continuing the research in the field of complex compounds, the authors present in this paper the synthesis and characterization of a new compound of Cu(II with the ligand 1-(3 bromo, 2 hydroxy, 4 methyl-phenyl-2-(4 bromophenyl- sulphanyl-etanone. Different methods were used, such as chemical elemental analysis, thermal-gravimetry, infrared absorption spectroscopy and electronic spin resonance (ESR. From chemical analysis resulted that the combination ratio ligand-central atom is 2:1. The new compound can also be used for gravimetric determination of Cu(II.

  12. Synthesis and fungicidal activity of N-thiazol-4-yl-salicylamides, a new family of anti-oomycete compounds.

    Science.gov (United States)

    Sulzer-Mosse, Sarah; Cederbaum, Fredrik; Lamberth, Clemens; Berthon, Guillaume; Umarye, Jayant; Grasso, Valeria; Schlereth, Alexandra; Blum, Mathias; Waldmeier, Rita

    2015-05-01

    A novel class of experimental fungicides has been discovered, which consists of special N-thiazol-4-yl-salicylamides. They originated from amide reversion of lead structures from the patent literature and are highly active against important phytopathogens, such as Phytophthora infestans (potato and tomato late blight), Plasmopara viticola (grapevine downy mildew) and Pythium ultimum (damping-off disease). Structure-activity relationship studies revealed the importance of a phenolic or enolic hydroxy function in the β-position of a carboxamide. An efficient synthesis route has been worked out, which for the first time employs the carbonyldiimidazole-mediated Lossen rearrangement in the field of thiazole carboxylic acids. Copyright © 2015 Elsevier Ltd. All rights reserved.

  13. Rapid access to compound libraries through flow technology: fully automated synthesis of a 3-aminoindolizine library via orthogonal diversification.

    Science.gov (United States)

    Lange, Paul P; James, Keith

    2012-10-08

    A novel methodology for the synthesis of druglike heterocycle libraries has been developed through the use of flow reactor technology. The strategy employs orthogonal modification of a heterocyclic core, which is generated in situ, and was used to construct both a 25-membered library of druglike 3-aminoindolizines, and selected examples of a 100-member virtual library. This general protocol allows a broad range of acylation, alkylation and sulfonamidation reactions to be performed in conjunction with a tandem Sonogashira coupling/cycloisomerization sequence. All three synthetic steps were conducted under full automation in the flow reactor, with no handling or isolation of intermediates, to afford the desired products in good yields. This fully automated, multistep flow approach opens the way to highly efficient generation of druglike heterocyclic systems as part of a lead discovery strategy or within a lead optimization program.

  14. Synthesis of Novel E-2-Chlorovinyltellurium Compounds Based on the Stereospecific Anti-addition of Tellurium Tetrachloride to Acetylene

    Directory of Open Access Journals (Sweden)

    Svetlana V. Amosova

    2012-05-01

    Full Text Available The reaction of tellurium tetrachloride with acetylene proceeds in a stereospecific anti-addition manner to afford the novel products E-2-chlorovinyltellurium trichloride and E,E-bis(2-chlorovinyltellurium dichloride. Reaction conditions for the selective preparation of each of these products were found. The latter was obtained in 90% yield in CHCl3 under a pressure of acetylene of 10–15 atm, whereas the former product was formed in up to 72% yield in CCl4 under a pressure of acetylene of 1–3 atm. Synthesis of the previously unknown E,E-bis(2-chlorovinyl telluride, E,E-bis(2-chlorovinyl ditelluride, E-2-chlorovinyl 1,2,2-trichloroethyl telluride and E,E-bis(2-chlorovinyl-tellurium dibromide is described.

  15. The effects of drugs, other foreign compounds, and cigarette smoke on the synthesis of protein by lung slices

    International Nuclear Information System (INIS)

    Hellstern, K.; Curtis, C.G.; Powell, G.M.; Upshall, D.G.

    1990-01-01

    The incorporation of 14 C-leucine into rabbit lung slices was monitored in the absence and presence of selected drugs and chemicals relevant to the perturbation of lung function and the development of lung disease. Known inhibitors of protein synthesis (cycloheximide and ricin) inhibited the incorporation of 14 C-leucine. Marked inhibition was also recorded with the lung toxins paraquat and 4-ipomeanol. By contrast, orciprenaline, salbutamol, and terbutaline were without effect although some response was recorded with isoprenaline. The filtered gas phase of cigarette smoke and acrolein, one of its components, were inhibitory but protection was afforded by N-acetylcysteine. It is suggested that the inhibitory effects of cigarette smoke may be due to its acrolein content. It is further suggested that the use of lung slices and measurements of 14 C-leucine incorporation provide valuable means for monitoring potential pulmonary toxins

  16. Synthesis and characterization of Fe-Ti-Sb intermetallic compounds: Discovery of a new Slater-Pauling phase

    Science.gov (United States)

    Naghibolashrafi, N.; Keshavarz, S.; Hegde, Vinay I.; Gupta, A.; Butler, W. H.; Romero, J.; Munira, K.; LeClair, P.; Mazumdar, D.; Ma, J.; Ghosh, A. W.; Wolverton, C.

    2016-03-01

    Compounds of Fe, Ti, and Sb were prepared using arc melting and vacuum annealing. Fe2TiSb , expected to be a full Heusler compound crystallizing in the L 21 structure, was shown by XRD and SEM analyses to be composed of weakly magnetic grains of nominal composition Fe1.5TiSb with iron-rich precipitates in the grain boundaries. FeTiSb, a composition consistent with the formation of a half-Heusler compound, also decomposed into Fe1.5TiSb grains with Ti-Sb rich precipitates and was weakly magnetic. The dominant Fe1.5TiSb phase appears to crystallize in a defective L 21 -like structure with iron vacancies. Based on this finding, a first-principles DFT-based binary cluster expansion of Fe and vacancies on the Fe sublattice of the L 21 structure was performed. Using the cluster expansion, we computationally scanned >103 configurations and predict a novel, stable, nonmagnetic semiconductor phase to be the zero-temperature ground state. This new structure is an ordered arrangement of Fe and vacancies, belonging to the space group R 3 m , with composition Fe1.5TiSb , i.e., between the full- and half-Heusler compositions. This phase can be visualized as alternate layers of L 21 phase Fe2TiSb and C 1b phase FeTiSb, with layering along the [111] direction of the original cubic phases. Our experimental results on annealed samples support this predicted ground-state composition, but further work is required to confirm that the R 3 m structure is the ground state.

  17. Synthesis of Novel p-tert-Butylcalix[4]arene Derivative: Structural Characterization of a Methanol Inclusion Compound

    Directory of Open Access Journals (Sweden)

    Silvana Moris

    2016-09-01

    Full Text Available A p-tertbutylcalix[4]arene derivative was synthesized from a reaction of the diisothiocyanate p-tertbutylcalix[4]arene, obtaining crystals that were then characterized by mass spectroscopy, Raman spectroscopy, and single-crystal X-ray diffraction. The molecule presents two acid carbamothioic-n-ethoxy-methyl-ester substituent groups. Through crystallization of this compound, it was also found that it includes a methanol molecule within the aromatic cavity. The inclusion of the methanol molecule is due to favorable CH∙∙∙π interactions.

  18. Direct synthesis of ligand-based radicals by the addition of bipyridine to chromium(II) compounds.

    Science.gov (United States)

    Zhou, Wen; Desnoyer, Addison N; Bailey, James A; Patrick, Brian O; Smith, Kevin M

    2013-03-04

    The reaction of 2,2'-bipyridine (bpy) with monomeric chromium(II) precursors was used to prepare the S = 1 complexes Cr(tBu-acac)2(bpy) (1) and (η(5)-Cp)(η(1)-Cp)Cr(bpy) (3), as well as the S = 2 compound Cr[N(SiMe3)2]2(bpy) (4). The crystallographically determined bond lengths indicate that the bpy ligands in 1 and 3 are best regarded as radical anions, while 4 shows no structural evidence for electron transfer from Cr(II) to the neutral bpy ligand.

  19. A novel asymmetric chair-like hydroxyl-bridged tetra-copper compound: Synthesis, supramolecular structure and magnetic property

    Science.gov (United States)

    Wang, Xiao-Feng; Du, Ke-Jie; Wang, Hong-Qing; Zhang, Xue-Li; Nie, Chang-Ming

    2017-06-01

    A new polynuclear Cu(II) compound, [Cu4(bpy)4(OH)4(H2O)(BTC)]NO3·8H2O (1), was prepared by self-assembly from the solution of copper(II) nitrate and two kinds of ligands, 2,2‧-bipyridine (bpy) and benzene-tricarboxylic acid (H3BTC). Single crystal structure analysis reveals that 1 features a rare asymmetric chair-like hydroxyl-bridged tetra-copper cluster: [Cu4(OH)4] core along with one H2O and one BTC3- occupied each terminal coordinated site. In addition, the magnetic property has been investigated.

  20. A new one-dimensional compound: Synthesis and structure of InNb3(Se2)6

    International Nuclear Information System (INIS)

    Deng Shuiquan; Zhuang Honghui; Huang Jinshun; Huang Jingling

    1993-01-01

    The new one-dimensional compound, indium niobium selenide, was synthesized by high-temperature solid-state reactions. The structure is composed of [Nb 3 (Se 2 ) 6 ] ∞ chains running along the c axis with In atoms intercalated between these chains. All the Nb atoms have rectangular antiprismatic coordination environments. All the Se atoms in the structure are in the form of Se 2 dimers with Se-Se distances of 2.325(2) and 2.356(2) A. (orig.)

  1. De Novo Synthesis of Benzenoid Compounds by the Yeast Hanseniaspora vineae Increases the Flavor Diversity of Wines.

    Science.gov (United States)

    Martin, Valentina; Giorello, Facundo; Fariña, Laura; Minteguiaga, Manuel; Salzman, Valentina; Boido, Eduardo; Aguilar, Pablo S; Gaggero, Carina; Dellacassa, Eduardo; Mas, Albert; Carrau, Francisco

    2016-06-08

    Benzyl alcohol and other benzenoid-derived metabolites of particular importance in plants confer floral and fruity flavors to wines. Among the volatile aroma components in Vitis vinifera grape varieties, benzyl alcohol is present in its free and glycosylated forms. These compounds are considered to originate from grapes only and not from fermentative processes. We have found increased levels of benzyl alcohol in red Tannat wine compared to that in grape juice, suggesting de novo formation of this metabolite during vinification. In this work, we show that benzyl alcohol, benzaldehyde, p-hydroxybenzaldehyde, and p-hydroxybenzyl alcohol are synthesized de novo in the absence of grape-derived precursors by Hanseniaspora vineae. Levels of benzyl alcohol produced by 11 different H. vineae strains were 20-200 times higher than those measured in fermentations with Saccharomyces cerevisiae strains. These results show that H. vineae contributes to flavor diversity by increasing grape variety aroma concentration in a chemically defined medium. Feeding experiments with phenylalanine, tryptophan, tyrosine, p-aminobenzoic acid, and ammonium in an artificial medium were tested to evaluate the effect of these compounds either as precursors or as potential pathway regulators for the formation of benzenoid-derived aromas. Genomic analysis shows that the phenylalanine ammonia-lyase (PAL) and tyrosine ammonia lyase (TAL) pathways, used by plants to generate benzyl alcohols from aromatic amino acids, are absent in the H. vineae genome. Consequently, alternative pathways derived from chorismate with mandelate as an intermediate are discussed.

  2. Inhibition of β-galactosidase and α-glucosidase synthesis in petroleum refinery effluent bacteria by phenolic compounds

    Directory of Open Access Journals (Sweden)

    Gideon C. Okpokwasili

    2011-04-01

    Full Text Available Inhibition of α-glucosidase (EC 3.2.1.20 and β-galactosidase (EC 3.2.1.23 biosynthesis by phenolic compounds (phenol, 2-chlorophenol, 4-chlorophenol, 4-bromophenol and 3,5-dimethylphenol in Escherichia coli, Bacillus and Pseudomonas species isolated from petroleum refinery wastewater was assessed. At sufficient concentrations, phenols inhibited the induction of α-glucosidase and β-galactosidase. The patterns of these toxic effects can be mathematically described with logistic and sigmoid dose-response models. The median inhibitory concentrations (IC50 varied among the phenols, the bacteria and enzymes. Quantitative structure–activity relationship (QSAR models based on the logarithm of the octanol–water partition coefficient (log10Kow were developed for each bacterium. The correlation coefficients varied between 0.84and 0.99 for the enzymes. The test results indicated α-glucosidase and β-galactosidase biosynthesis as important microbial indices for evaluation of toxicity of phenolic compounds.

  3. Synthesis and Utilization of Trialkylammonium-Substituted Cyclodextrins as Water-Soluble Chiral NMR Solvating Agents for Anionic Compounds.

    Science.gov (United States)

    Dowey, Alison E; Puentes, Cira Mollings; Carey-Hatch, Mira; Sandridge, Keyana L; Krishna, Nikhil B; Wenzel, Thomas J

    2016-04-01

    Cationic trialkylammonium-substituted α-, β-, and γ-cyclodextrins containing trimethyl-, triethyl-, and tri-n-propylammonium substituent groups were synthesized and analyzed for utility as water-soluble chiral nuclear magnetic resonance (NMR) solvating agents. Racemic and enantiomerically pure (3-chloro-2-hydroxypropyl)trimethyl-, triethyl-, and tri-n-propyl ammonium chloride were synthesized from the corresponding trialkyl amine hydrochloride and either racemic or enantiomerically pure epichlorohydrin. The ammonium salts were then reacted with α-, β-, and γ-cyclodextrins at basic pH to provide the corresponding randomly substituted cationic cyclodextrins. The (1) H NMR spectra of a range of anionic, aromatic compounds was recorded with the cationic cyclodextrins. Cyclodextrins with a single stereochemistry at the hydroxy group on the (2-hydroxypropyl)trialkylammonium chloride substituent were often but not always more effective than the corresponding cyclodextrin in which the C-2 position was racemic. In several cases, the larger triethyl or tri-n-propyl derivatives were more effective than the corresponding trimethyl derivative at causing enantiomeric differentiation. None of the cyclodextrin derivatives were consistently the most effective for all of the anionic compounds studied. © 2016 Wiley Periodicals, Inc.

  4. Cd(II) and Zn(II) thiocyanate coordination compounds with 3-ethylpyridine. Synthesis, crystal structures and properties

    Energy Technology Data Exchange (ETDEWEB)

    Neumann, Tristan; Jess, Inke; Dos Santos Cunha, Cesar; Terraschke, Huayna; Naether, Christian [Kiel Univ. (Germany). Inst. fuer Anorganische Chemie

    2018-04-01

    Reaction of Cd(NCS){sub 2} and Zn(NCS){sub 2} with 3-ethylpyridine leads to the formation of compounds of compositions M(NCS){sub 2}(3-ethylpyridine){sub 4} (M=Cd, 1-Cd; Zn, 1-Zn) and M(NCS){sub 2}(3-ethylpyridine){sub 2} (M=Cd, 2-Cd; Zn, 2-Zn). 1-Cd and 1-Zn are isotypic and form discrete complexes in which the metal cations are octahedrally coordinated by two trans-coordinating N-bonded thiocyanate anions and four 3-ethylpyridine co-ligands. In 2-Cd the cations are also octahedrally coordinated but linked into chains by pairs of μ-1,3-bridging anionic ligands. 2-Zn is built up of discrete complexes, in which the Zn cation is tetrahedrally coordinated by two N-bonded thiocyanate anions and two 3-ethylpyridine co-ligands. Compounds 1-Cd, 2-Cd and 2-Zn can be prepared in a pure state, whereas 1-Zn is unstable and transforms on storage into 2-Zn. If 1-Cd and 1-Zn are heated, a transformation into 2-Cd, respectively 2-Zn is observed. Luminescence measurements reveal that 1-Cd, 2-Cd and 2-Zn emit light in the blue spectral range with maxima at, respectively, 21724, 21654 and 22055 cm{sup -1}, assigned to ligand-based luminescence.

  5. Synthesis and structure of coordination compounds of N-heteroaromatic angular anthraquinones with gallium(3) and jndium(3) chlorides

    International Nuclear Information System (INIS)

    Zajtsev, B.E.; Rudnitskaya, O.V.; Zajtseva, V.A.; Molodkin, A.K.; Gorelik, M.V.

    1979-01-01

    Synthesized for the first time are complex compounds GaCl 3 and InCl 3 with α-pyridine anthraquinone (L') and pyrazine anthraquinone (L'') of the composition GaCl 3 xL 1 ; 1.5GaCl 3 xL''x1.5H 2 O; GaCl 3 xL 1 xHCl; InCl 3 x2L'x2HCl. Usjng the methods of electronic and infrared spectroscopy it has been shown that in a case of InCl 3 complex with L' In atom forms coordination bond with nitrogen atom of pyridine cycle and with carbonyl oxygen with six-member cycle closing. It has been shown that L' is included in the composition of the compounds, obtained in acid medium as the second sphere cation of pyridinium anthraquinone: [InCl 5 ]sup(2-) (L'H + ) 2 , where L'H + - cation of pyridinium anthraquinone

  6. Investigation of the chemical identity of soluble organophosphorus compounds found in natural waters. Research report

    International Nuclear Information System (INIS)

    Minear, R.A.

    1978-04-01

    Four algal species (Chlamydomonas reinhardtii, Chlorella pyrenoidosa, Anacystis nidulans, and Anabaena flos-aquae) were grown in batch culture on 32 P labelled media to yield dissolved organic phosphorus (DOP) compounds containing a radioactive tag. The DOP compounds of filtered culture solutions were characterized by Sephadex gel filtration and thin layer chromatography (TLC) as a function of culture age. Additional TLC of individual Sephadex fractions was conducted. Time, culture and known compounds (inositol mono- and hexaphosphate) comparisons were made. High performance liquid chromatography was used to separate inositol mono- and hexaphosphates and to compare the DOP components of one algal species (C. reinhardtii) with inositol phosphates. Combinations of alkaline bromination and Sephadex pretreatment were examined

  7. Synthesis, Crystal Structures, and DFT Calculations of Three New Cyano(phenylsulfonylindoles and a Key Synthetic Precursor Compound

    Directory of Open Access Journals (Sweden)

    William L. Montgomery

    2015-09-01

    Full Text Available Three cyano-1-(phenylsulfonylindole derivatives, 3-cyano-1-(phenylsulfonyl indole, (I, 2-cyano-1-(phenylsulfonylindole, (II, and 2,3-dicyano-1-(phenylsulfonyl indole, (III, and a key synthetic precursor 1-(phenylsulfonyl-1-(1,1-dimethylethyl indole-3-carboxamide, (IV, have been synthesized and their structures determined by single crystal X-ray crystallography. (I, C15H10N2O2S, is orthorhombic with space group P 212121 and cell constants: a = 4.9459(3 Å, b = 10.5401(7 Å, c = 25.0813(14 Å, V = 1307.50(14 Å3 and Z = 4. (II, C15H10N2O2S, is monoclinic with space group C 2/c and cell constants: a = 18.062(2 Å, b = 11.293(2 Å, c = 15.922(3 Å, α = 90°, β = 124.49(2°, g = 90°, V = 2676.7 Å3 and Z = 8. (III, C16H9N3O2S, is triclinic with space group P-1 and cell constants: a = 8.1986(8 Å, b = 9.6381(11 Å, c = 9.8113(5 Å, α = 95.053(6°, β = 101.441(6°, g = 108.071(9°, V = 713.02(11 Å3 and Z = 2. (IV, C19H20N2O3S, is orthorhombic with space group P ccn and cell constants: a = 13.7605(8 Å, b = 27.3177(14 Å, c = 9.7584(6 Å, α = 90°, β = 90°, g =90°, V = 3668.2(4 Å3 and Z = 8. All four compounds have the same indole nitrogen phenylsulfonyl substituent and (I, (II, and (III are nitrile derivatives. (IV is a tert-butylamide. In the crystals, the dihedral angle between the mean planes of the indole and phenylsulfonyl groups are 85.4(2° (I, 87.2(7° (II, 75.1(7° (III, and 88.6(2° (IV, respectively. Additionally, DFT geometry-optimized molecular orbital calculations were performed and frontier molecular orbitals of each compound are displayed. Correlation between the calculated molecular orbital energies (eV for the surfaces of the frontier molecular orbitals to the electronic excitation transitions from the absorption spectra of each compound has been proposed.

  8. Synthesis of carbon quantum dots and zinc oxide nanosheets by pyrolysis of novel metal–organic framework compounds

    International Nuclear Information System (INIS)

    Ma, Qiliang; Zhang, Zhaochun; Yu, Zhenwei

    2015-01-01

    Highlights: • Thermodynamic and kinetic analysis of porous MOFs. • One step synthesis of CQDs and ZnO nanosheets. • The coexistence of CQDs and ZnO nanosheets show strong ultraviolet emission. - Abstract: Here, the carbon quantum dots and zinc oxide nanosheets with novel superstructures are successfully synthesized simultaneously from a hydrothermal preparation and thermal decomposition of a porous precursor of metal–organic frameworks. Porous metal–organic frameworks are prepared by the hydrothermal process by using zinc nitrate hexahydrate, 4,4′-oxybisbenzoic acid and 4,4′-bipyridine as the starting materials. Fluorescence spectrophotometer, X-ray powder diffraction, transmission electron microscopy and high-resolution transmission electron microscopy were used to characterize the structure and property. The results show the coexistence of carbon quantum dots and zinc oxide nanosheets. The carbon quantum dots size is about 4 nm. Particularly, zinc oxide nanosheets show a new triangular sheet structure that has almost the same size. Strong ultraviolet emission of this coexistence system should be useful in developing visible light-emitting and nanophotonic devices

  9. Synthesis of carbon quantum dots and zinc oxide nanosheets by pyrolysis of novel metal–organic framework compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Qiliang; Zhang, Zhaochun, E-mail: zhangzhaochun@shu.edu.cn; Yu, Zhenwei

    2015-09-05

    Highlights: • Thermodynamic and kinetic analysis of porous MOFs. • One step synthesis of CQDs and ZnO nanosheets. • The coexistence of CQDs and ZnO nanosheets show strong ultraviolet emission. - Abstract: Here, the carbon quantum dots and zinc oxide nanosheets with novel superstructures are successfully synthesized simultaneously from a hydrothermal preparation and thermal decomposition of a porous precursor of metal–organic frameworks. Porous metal–organic frameworks are prepared by the hydrothermal process by using zinc nitrate hexahydrate, 4,4′-oxybisbenzoic acid and 4,4′-bipyridine as the starting materials. Fluorescence spectrophotometer, X-ray powder diffraction, transmission electron microscopy and high-resolution transmission electron microscopy were used to characterize the structure and property. The results show the coexistence of carbon quantum dots and zinc oxide nanosheets. The carbon quantum dots size is about 4 nm. Particularly, zinc oxide nanosheets show a new triangular sheet structure that has almost the same size. Strong ultraviolet emission of this coexistence system should be useful in developing visible light-emitting and nanophotonic devices.

  10. Synthesis of novel carbazole derived substances using some organoboron compounds by palladium catalyzed and investigation of its semiconductor device characteristics

    Science.gov (United States)

    Gorgun, Kamuran; Caglar, Yasemin

    2018-04-01

    Carbazole compounds in particular represent one of the most intensely used and studied class of semiconducting materials. In this study, considering the information given in the literature the Ullman and Suzuki-Miyaura coupling reaction were carried out using carbazole, 1,4-dibromobenzene and pyrene-1-boronic acid. The synthesized carbazole derivatives are characterized by 1H NMR and elemental analysis. The spectroscopic and thermal properties of the synthesized novel carbazole derivative 9-(4-(pyren-4-yl)phenyl)-9H-carbazole (Cz-py) were investigated. And also, the n-Si/p-Cz:py heterojunction diode was fabricated. The electrical properties of this diode were characterized by current-voltage (I-V) and capacitance-voltage (C-V) measurements.

  11. Synthesis of silver nanoparticles deposited on silica by γ-irradiation and preparation of PE/Ag nano compound masterbatches

    Science.gov (United States)

    Nguyen, Thi Kim Lan; Trinh Nguyen, Thuy Ai; Phu Dang, Van; Duy Nguyen, Ngoc; Le, Anh Quoc; Hien Nguyen, Quoc

    2013-12-01

    Silver nanoparticles (AgNPs) deposited on silica were synthesized by gamma Co-60 irradiation of Ag+ dispersion in silica/ethanol/water mixture (9/80/20:w/v/v). The reduction of Ag+ is occurred by hydrated electron (e-aq) and hydrogen atom (H•) generated during radiolysis of ethanol/water. The conversion doses (Ag+ → Ag0) were determined by UV-Vis spectroscopy. The synthesized AgNPs/silica were characterized by transmission electron microscopy (TEM) and x-ray diffraction (XRD), which showed the size of AgNPs to be in the range of 5-40 nm for Ag+ concentrations from 5 to 20 mM. Masterbatches of PE/AgNPs/silica compound with silver content from 250 to 1000 mg kg-1 were also prepared. These masterbatches can be suitably used for various applications such as antimicrobial food containers and packing films, etc.

  12. New synthesis of gold nanocorals using a diazonium compound, and their application to an electrochemiluminescent assay of hydrogen peroxide

    International Nuclear Information System (INIS)

    Xu, Min; Qi, Wenjing; Zhang, Ling; Lai, Jianping; Aziz-ur-Rehman; Majeed, Saadat; Xu, Guobao

    2014-01-01

    The reaction of hydrogen tetracholoroaurate, sodium borohydride and the diazonium compound prepared from 4-aminobenzoic acid results in the formation of gold nanocorals (Au-NCs) for the first time. Scanning electron microscopy images and transmission electron microscopy images show that the Au-NCs are composed of nanowires with a diameter of 5.3 nm. A glassy carbon electrode modified with Au-NCs is found to trigger intense electrochemiluminescence of the luminol/H 2 O 2 system at a potential of −0.13 V. The effect was exploited to determine H 2 O 2 in the 0.1 to 100 μM concentration range with a 30 nM detection limit. (author)

  13. Low-temperature synthesis of the infinite-layer compound LaNiO2 by soft-chemical techniques

    International Nuclear Information System (INIS)

    Takamatsu, Tomohisa; Kato, Masatsune; Noji, Takashi; Koike, Yoji

    2010-01-01

    Bulk samples of LaNiO 2 with the so-called infinite-layer structure have successfully been synthesized. First, polycrystalline samples of LaNiO 3 with the perovskite structure were prepared using molten KOH at a temperature of 400-450degC. Then, they were finely ground with a double stoichiometric excess of reductant CaH 2 and sealed in an evacuated Pyrex tube. The sealed ampoule was then heated at 300degC for 24 h. Powder X-ray diffraction analysis has revealed that the product obtained after removing the residual CaH 2 and the byproduct CaO is of almost single phase with tetragonal symmetry, indicating the formation of the infinite-layer compound LaNiO 2 . (author)

  14. Synthesis of silver nanoparticles deposited on silica by γ-irradiation and preparation of PE/Ag nano compound masterbatches

    International Nuclear Information System (INIS)

    Nguyen, Thi Kim Lan; Dang, Van Phu; Nguyen, Ngoc Duy; Le, Anh Quoc; Nguyen, Quoc Hien; Nguyen, Thuy Ai Trinh

    2013-01-01

    Silver nanoparticles (AgNPs) deposited on silica were synthesized by gamma Co-60 irradiation of Ag + dispersion in silica/ethanol/water mixture (9/80/20:w/v/v). The reduction of Ag + is occurred by hydrated electron (e − aq ) and hydrogen atom (H • ) generated during radiolysis of ethanol/water. The conversion doses (Ag + → Ag 0 ) were determined by UV–Vis spectroscopy. The synthesized AgNPs/silica were characterized by transmission electron microscopy (TEM) and x-ray diffraction (XRD), which showed the size of AgNPs to be in the range of 5–40 nm for Ag + concentrations from 5 to 20 mM. Masterbatches of PE/AgNPs/silica compound with silver content from 250 to 1000 mg kg −1 were also prepared. These masterbatches can be suitably used for various applications such as antimicrobial food containers and packing films, etc. (paper)

  15. Discovery of novel cell wall-active compounds using P ywaC, a sensitive reporter of cell wall stress, in the model gram-positive bacterium Bacillus subtilis.

    Science.gov (United States)

    Czarny, T L; Perri, A L; French, S; Brown, E D

    2014-06-01

    The emergence of antibiotic resistance in recent years has radically reduced the clinical efficacy of many antibacterial treatments and now poses a significant threat to public health. One of the earliest studied well-validated targets for antimicrobial discovery is the bacterial cell wall. The essential nature of this pathway, its conservation among bacterial pathogens, and its absence in human biology have made cell wall synthesis an attractive pathway for new antibiotic drug discovery. Herein, we describe a highly sensitive screening methodology for identifying chemical agents that perturb cell wall synthesis, using the model of the Gram-positive bacterium Bacillus subtilis. We report on a cell-based pilot screen of 26,000 small molecules to look for cell wall-active chemicals in real time using an autonomous luminescence gene cluster driven by the promoter of ywaC, which encodes a guanosine tetra(penta)phosphate synthetase that is expressed under cell wall stress. The promoter-reporter system was generally much more sensitive than growth inhibition testing and responded almost exclusively to cell wall-active antibiotics. Follow-up testing of the compounds from the pilot screen with secondary assays to verify the mechanism of action led to the discovery of 9 novel cell wall-active compounds. Copyright © 2014, American Society for Microbiology. All Rights Reserved.

  16. Assessment of combinations of antiandrogenic compounds vinclozolin and flutamide in a yeast based reporter assay.

    Science.gov (United States)

    Kolle, Susanne N; Melching-Kollmuss, Stephanie; Krennrich, Gerhard; Landsiedel, Robert; van Ravenzwaay, Bennard

    2011-08-01

    Humans are exposed to a combination of various substances such as cosmetic ingredients, drugs, biocides, pesticides and natural-occurring substances in food. The combined toxicological effects of two or more substances can simply be additive on the basis of response-addition, or it can be greater (synergistic) or smaller (antagonistic) than this. The need to assess combined effects of compounds with endocrine activity is currently discussed for regulatory risk assessment. We have used a well described yeast based androgen receptor transactivation assay YAS to assess the combinatorial effects of vinclozolin and flutamide; both mediating antiandrogenicity via the androgen receptor. Both vinclozolin and flutamide were antiandrogens of similar potency in the YAS assay. In the concentration range tested the two antiandrogens vinclozolin and flutamide did not act synergistically. Concentration additivity was observed in the linear, non-receptor-saturated concentration range. At high concentrations of one of the two substances tested the contribution of the second at lower concentration levels was less than additive. The combined response of both compounds at high concentration levels was also less than additive (saturation effect). At concentration levels which did not elicit a response of the individual compounds, the combination of these compounds also did not elicit a response. Copyright © 2011 Elsevier Inc. All rights reserved.

  17. Synthesis and structure determination of the novel aluminophosphate TL-1: A new layered compound with corner-sharing AlX{sub 6} chains

    Energy Technology Data Exchange (ETDEWEB)

    Pastero, Linda [Dipartimento di Scienze della Terra, Università di Torino, Via Valperga Caluso 35, I-10125 Torino (Italy); Interdepartmental Centre “Nanostructured Interfaces and Surfaces-NIS”, Via Quarello 15A, 10135 Torino (Italy); CrisDi – Interdepartmental Center for Crystallography, Università di Torino, Via Pietro Giuria 7, I-10125 Torino (Italy); Arletti, Rossella, E-mail: rossella.arletti@unito.it [Dipartimento di Scienze della Terra, Università di Torino, Via Valperga Caluso 35, I-10125 Torino (Italy); Interdepartmental Centre “Nanostructured Interfaces and Surfaces-NIS”, Via Quarello 15A, 10135 Torino (Italy); CrisDi – Interdepartmental Center for Crystallography, Università di Torino, Via Pietro Giuria 7, I-10125 Torino (Italy); Cámara, Fernando [Dipartimento di Scienze della Terra, Università di Torino, Via Valperga Caluso 35, I-10125 Torino (Italy); Interdepartmental Centre “Nanostructured Interfaces and Surfaces-NIS”, Via Quarello 15A, 10135 Torino (Italy); CrisDi – Interdepartmental Center for Crystallography, Università di Torino, Via Pietro Giuria 7, I-10125 Torino (Italy); Gigli, Lara [Dipartimento di Scienze della Terra, Università di Torino, Via Valperga Caluso 35, I-10125 Torino (Italy); Interdepartmental Centre “Nanostructured Interfaces and Surfaces-NIS”, Via Quarello 15A, 10135 Torino (Italy); Cagnoni, Monica [Dipartimento di Chimica, Università di Torino, Via Pietro Giuria 7, I-10125 Torino (Italy)

    2016-10-15

    A novel layered aluminophosphate (TL-1) has been synthesized. Crystals grow as pseudo-hexagonal thin platelets and their whole morphology depends on the synthesis conditions. The structure was solved by single-crystal X-ray diffraction using charge flipping methods. The synthesized layered material, with composition [AlPO{sub 4}F(H{sub 2}O)]-(H{sub 10}C{sub 4}ON){sub 4}, crystallizes in the monoclinic space group P2{sub 1}/a with a=9.2282(5) Å, b=6.9152(4) Å, c=14.4615(9) Å, β=101.57(1)°. The novel compound has corner sharing AlO{sub 3}F{sub 2}(H{sub 2}O) octahedral chains running along [010], where fluorine atoms are at the shared apices, three oxygen atoms are shared with PO{sub 4} tetrahedra while the sixth oxygen pertain to an H{sub 2}O molecule. The stability field of the novel material is enclosed in the HF/Al{sub 2}O{sub 3} ratio ranging between 1 and 4 and the HF/morpholine ratio lower than 3. At temperature lower than 190 °C, the synthesis results is a pure aluminophosphate sample (low alumina/morpholine ratio). A treatment with H{sub 2}CO{sub 3} leads to a complete morpholine removal, as shown by in situ Raman spectroscopy. Powder X-ray diffraction reveals that, after morpholine extraction, the material collapses. The collapse is irreversible. - Highlights: • A new layered aluminophosphate was obtained and characterized. • The crystal structure is a sequence of aluminophosphate and organic layers. • The stability field of the new phase was defined by changing chemistry and T. • The templating agent can be removed by using a CO{sub 2} aqueous solution. • The decomposition of the morpholine induce a collapse in the structure.

  18. How do aggregated patient-reported outcome measures data stimulate health care improvement? A realist synthesis

    Science.gov (United States)

    Dalkin, Sonia; Gibbons, Elizabeth; Wright, Judy; Valderas, Jose Maria; Meads, David; Black, Nick

    2017-01-01

    Objectives Internationally, there has been considerable debate about the role of data in supporting quality improvement in health care. Our objective was to understand how, why and in what circumstances the feedback of aggregated patient-reported outcome measures data improved patient care. Methods We conducted a realist synthesis. We identified three main programme theories underlying the use of patient-reported outcome measures as a quality improvement strategy and expressed them as nine ‘if then’ propositions. We identified international evidence to test these propositions through searches of electronic databases and citation tracking, and supplemented our synthesis with evidence from similar forms of performance data. We synthesized this evidence through comparing the mechanisms and impact of patient-reported outcome measures and other performance data on quality improvement in different contexts. Results Three programme theories were identified: supporting patient choice, improving accountability and enabling providers to compare their performance with others. Relevant contextual factors were extent of public disclosure, use of financial incentives, perceived credibility of the data and the practicality of the results. Available evidence suggests that patients or their agents rarely use any published performance data when selecting a provider. The perceived motivation behind public reporting is an important determinant of how providers respond. When clinicians perceived that performance indicators were not credible but were incentivized to collect them, gaming or manipulation of data occurred. Outcome data do not provide information on the cause of poor care: providers needed to integrate and interpret patient-reported outcome measures and other outcome data in the context of other data. Lack of timeliness of performance data constrains their impact. Conclusions Although there is only limited research evidence to support some widely held theories of how

  19. Design, Synthesis, and Mechanistic Evaluation of Iron-Based Catalysis for Synthesis Gas Conversion to Fuels and Chemicals. Technical Progress Report

    International Nuclear Information System (INIS)

    Akio Ishikawa; Manuel Ojeda; Nan Yao; Enrique Iglesia

    2006-01-01

    This project extends previously discovered Fe-based catalysts to hydrogen-poor synthesis gas streams derived from coal and biomass sources. These catalysts have shown unprecedented Fischer-Tropsch synthesis rate, selectivity for feedstocks consisting of synthesis gas derived from methane. During the first reporting period, we certified a microreactor, installed required analytical equipment, and reproduced synthetic protocols and catalytic results previously reported. During the second reporting period, we prepared several Fe-based compositions for Fischer-Tropsch synthesis and tested the effects of product recycle under both subcritical and supercritical conditions. During the third and fourth reporting periods, we improved the catalysts preparation method, which led to Fe-based FT catalysts with the highest FTS reaction rates and selectivities so far reported, a finding that allowed their operation at lower temperatures and pressures with high selectivity to desired products (C 5+ , olefins). During this fifth reporting period, we have studied the effects of different promoters on catalytic performance, specifically how their sequence of addition dramatically influences the performance of these materials in the Fischer-Tropsch synthesis. The resulting procedures have been optimized to improve further upon the already unprecedented rates and C 5+ selectivities of the Fe-based catalysts that we have developed as part of this project. During this fifth reporting period, we have also continued our studies of optimal activation procedures, involving reduction and carburization of oxide precursors during the early stages of contact with synthesis gas. We have completed the analysis of the evolution of oxide, carbide, and metal phases of the active iron components during initial contact with synthesis gas using advanced synchrotron techniques based on X-ray absorption spectroscopy. We have confirmed that the Cu or Ru compensates for inhibitory effects of Zn, a surface

  20. Reações de inserção intramolecular de diazo compostos polifuncionais catalisadas por ródio(II): síntese de oxetan-3-ona-2-carboxilato e outros heterociclos funcionalizados Rhodium(II)-catalysed intramolecular insertion reaction of multifunctional diazo compounds: synthesis of oxetan-3-one-2-carboxilate and other heterocycles

    OpenAIRE

    Albert Padwa; Marcus Mandolesi Sá

    1999-01-01

    gamma-Hydroxy-alpha-diazo-beta-ketoesters are key intermediates in the chemistry of penicilin-based antibiotics and natural products. The method developed here for the synthesis of ethyl 2-diazo-4-hydroxy-3-oxo-butanoate 17 (in two steps from the diazo mercurial 2) compares very favorably with those reported in the literature for similar compounds. The Rh2(OAc)4-mediated intramolecular OH-insertion reaction of the diazo hydroxy ester 17 was investigated, furnishing the oxetan-3-one-2-carboxil...