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Sample records for benzenedicarboxylic acid-para

  1. 76 FR 7703 - 1,4-Benzenedicarboxylic Acid, Dimethyl Ester, Polymer With 1,4-Butanediol, Adipic Acid, and...

    Science.gov (United States)

    2011-02-11

    ... AGENCY 40 CFR Part 180 1,4-Benzenedicarboxylic Acid, Dimethyl Ester, Polymer With 1,4- Butanediol, Adipic... from the requirement of a tolerance for residues of 1,4-benzenedicarboxylic acid, dimethyl ester... residues of 1,4-benzenedicarboxylic acid, dimethyl ester, polymer with 1,4-butanediol, adipic acid,...

  2. 40 CFR 721.1577 - 1,4-Benzenedicarboxylic acid, bis [4-(ethenyloxy) butyl] ester.

    Science.gov (United States)

    2010-07-01

    ... ester. 721.1577 Section 721.1577 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED... Specific Chemical Substances § 721.1577 1,4-Benzenedicarboxylic acid, bis ester. (a) Chemical substance and... acid, bis ester (PMN P-98-1163; CAS No. 117397-31-6) is subject to reporting under this section for...

  3. 40 CFR 721.1578 - 1,4-Benzenedicarboxylic acid, bis[[4-[(ethenyloxy)methyl] cyclohexyl] methyl] ester.

    Science.gov (United States)

    2010-07-01

    ... cyclohexyl] methyl] ester. 721.1578 Section 721.1578 Protection of Environment ENVIRONMENTAL PROTECTION...] methyl] ester. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 1,4-benzenedicarboxylic acid, bis cyclohexyl] methyl] ester (PMN P-98-1164; CAS...

  4. 40 CFR 721.1576 - 1,3-Benzenedicarboxylic acid, bis[[4-[(ethenyloxy)methyl] cyclohexyl] methyl] ester.

    Science.gov (United States)

    2010-07-01

    ... cyclohexyl] methyl] ester. 721.1576 Section 721.1576 Protection of Environment ENVIRONMENTAL PROTECTION...] methyl] ester. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 1,3-benzenedicarboxylic acid, bis cyclohexyl] methyl] ester (PMN P-98-1162; CAS...

  5. Tuning zinc coordination architectures by benzenedicarboxylate position isomers and bis(triazole)

    Science.gov (United States)

    Peng, Yan-fen; Li, Ke; Zhao, Shan; Han, Shan-shan; Li, Bao-long; Li, Hai-Yan

    2015-08-01

    Three position isomers 1,2-, 1,3-, 1,4-benzenedicarboxylate and 1,4-bis(1,2,4-triazol-4-yl)benzene were used to assembly zinc(II) coordination polymers {[Zn2(btx)0.5(1,2-bdc)2(H2O)]·H2O}n (1), {[Zn(btx)(1,3-bdc)]·2H2O·(DMF)}n (2) and {[Zn(btx)(1,4-bdc)]·3H2O}n (3). 1 is a (3,4,4,4)-connected two-dimensional network with point symbol (42·6)(44·62)(43·62·8)(42·6·103). 2 shows a two-dimensional (4,4) network. 3 exhibits a 5-fold interpenetrated three-dimensional diamondoid network. The structural versatility shows that the structures of coordination polymers can be tuned by the position isomers ligands. The luminescence and thermal stability were investigated.

  6. Ionothermal synthesis, structures, properties of cobalt-1,4-benzenedicarboxylate metal-organic frameworks

    Science.gov (United States)

    Zhang, Zong-Hui; Xu, Ling; Jiao, Huan

    2016-06-01

    Eight kinds of 1-methyl-3-alkylimidazolium halide [RMI]X (R=ethyl (E), propyl (P), butyl (B) and amyl (A); MI = imidazolium; X= Cl-, I-) ionic liquids (ILs) were used as reaction media and obtained a series of 2D [RMI]2[Co3(BDC)3X2] frameworks through the ionothermal reactions of 1,4-benzenedicarboxylic acid (H2BDC) with Co(NO3)2·6H2O. The 2D [RMI]2[Co3(BDC)3X2] frameworks exhibit a same (3,6) topology network with [RMI]+ cations locating in the interlayer space. [RMI]+ cations play a template role in the structure constructions, whose influence combining with the effect of X- anions pass to the TG behaviors. The decomposition temperatures of the [RMI]2[Co3(BDC)3X2] frameworks decrease with the alkyl chains in [RMI]+ cations, and the compounds containing Cl- show higher thermal stabilities than those with I-. However, compounds 1-8 exhibit two similar broad emissions at ca. 380 and 390 nm, assigned to ILCT. The RMI+ templates and the X- anions do not exert their influence on the fluorescence.

  7. Synthesis, Structures and Properties of Two Metal-organic Frameworks Derived from 3-Nitro-1,2-benzenedicarboxylic Acid

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Wenjia; Zhang, Lingyu; Tang, Jinniu; Wang, Daiyin; Pan, Ganghong; Feng, Yu [Guangxi Univ. for Nationalities, Nanning (China)

    2013-08-15

    Two metal-organic frameworks based on the connectivity co-effect between rigid benzenedicarboxylic acid and bridging ligand have been synthesized [Zn{sub 2}(3-NO{sub 2}-bdc){sub 2}(4,4'-bpy){sub 2}H{sub 2}O]n (1), [Co(3-NO{sub 2}-bdc)(4,4'-bpy)H{sub 2}O]{sub n} (2) (where 3-NO{sub 2}-bdcH{sub 2} = 3-nitro-1,2-benzenedicarboxylic acid, 4,4'-bpy = 4,4'-bipyridine). The two novel complexes were characterized by IR spectrum, elemental analysis, fluorescent properties, thermogravimetric analysis, single-crystal X-ray diffraction and powder X-ray diffraction (PXRD). X-ray structure analysis reveals that 1 and 2 are two-dimensional (2D) network structures. Complex 1 and complex 2 belong to triclinic crystal with P-1 space group. The luminescence measurements reveal that two complexes exhibit good fluorescent emissions in the solid state at room temperature. Also, thermal decomposition process and powder X-ray diffraction of complexes were investigated.

  8. Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Park, Hyunsoo; Moureau, David M.; Parise, John B. (SBU)

    2008-10-03

    Three new metal-organic coordination polymers were synthesized hydrothermally using Zn2+ ion, 1,2,4-triazole, and 1,4-benzenedicarboxylic acid (BDC): Zn5(H2O)2(C2H2N3)4(C8H4O4)3 {center_dot} 3.9H2O (1), Zn2(C2H2N3)2(C2H3N3)(C8H4O4) {center_dot} 2.5H2O (2), and Zn4(H2O)2(C2H2N3)4(C8H4O4)2 {center_dot} 14H2O (3). Their crystal structures were determined by single-crystal X-ray diffraction. Their thermal properties were examined by thermogravimetric analysis. Structure 1 crystallizes in the monoclinic P21/n space group with a = 10.192(2) {angstrom}, b = 17.764(4) {angstrom}, c = 24.437(5) {angstrom}, {beta} = 91.19(3){sup o}, and V = 4423.3(15) {angstrom}3. Structure 2 crystallizes in the triclinic P space group with a = 7.797(2) {angstrom}, b = 10.047(2) {angstrom}, c = 13.577(3) {angstrom}, {alpha} = 110.18(3){sup o}, {beta} = 105.46(3){sup o}, {gamma} = 93.90(3){sup o}, and V = 947.0(3) {angstrom}3. Structure 3 crystallizes in monoclinic P21/n space group with a = 13.475(3) {angstrom}, b = 26.949(5) {angstrom}, c = 13.509(3) {angstrom}, {beta} = 95.18(3){sup o}, and V = 4885.7(17) {angstrom}3. In structure 1, the units of the triazole-Zn polyhedra are linked by BDC in a zigzag fashion to create the stacking of phenyl groups along the a axis. In structure 2, both triazole and BDC bridge Zn polyhedra in the (011) plane, resulting in the eight-membered channels along the a axis. In the case of structure 3, the BDC links the Zn polyhedra along the b axis to form a pillared open framework. This structure is the most porous of the compounds presented in this work.

  9. Towards surface-supported supramolecular architectures: tailored coordination assembly of 1,4-benzenedicarboxylate and Fe on Cu(100).

    Science.gov (United States)

    Lingenfelder, Magalí A; Spillmann, Hannes; Dmitriev, Alexandre; Stepanow, Sebastian; Lin, Nian; Barth, Johannes V; Kern, Klaus

    2004-04-19

    We present a comprehensive investigation of the modular assembly of surface-supported metal-organic coordination systems with specific topologies and high structural stability formed by vapor deposition of 1,4-benzenedicarboxylic acid molecules and iron atoms on a Cu(100) surface under ultra-high vacuum conditions. By making use of the two carboxylate moieties available for lateral linkage to Fe atoms, we succeeded in the fabrication of distinct Fe-carboxylate coordination architectures at the surface by carefully adjusting the ligand and metal concentration ratio and the temperature of the post-deposition annealing treatment. The mononuclear, 1D-polymeric and fully 2D-reticulated metallosupramolecular arrangements obtained were characterized in situ at the single-molecule level by scanning tunneling microscopy.

  10. Adsorptive removal of methyl orange from aqueous solution with metal-organic frameworks, porous chromium-benzenedicarboxylates

    Energy Technology Data Exchange (ETDEWEB)

    Haque, Enamul; Lee, Ji Eun [Department of Chemistry, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Jang, In Tae; Hwang, Young Kyu; Chang, Jong-San [Research Center for Nanocatalysts, Korea Research Institute of Chemical Technology, P.O. Box, 107, Yusung, Daejeon 305-600 (Korea, Republic of); Jegal, Jonggeon [Membrane and Separation Research Center, Korea Research Institute of Chemical Technology, P.O. Box 107, Yusung, Daejeon 305-600 (Korea, Republic of); Jhung, Sung Hwa, E-mail: sung@knu.ac.kr [Department of Chemistry, Kyungpook National University, Daegu 702-701 (Korea, Republic of)

    2010-09-15

    Two typical highly porous metal-organic framework (MOF) materials based on chromium-benzenedicarboxylates (Cr-BDC) obtained from Material of Institute Lavoisier with special structure of MIL-101 and MIL-53 have been used for the adsorptive removal of methyl orange (MO), a harmful anionic dye, from aqueous solutions. The adsorption capacity and adsorption kinetic constant of MIL-101 are greater than those of MIL-53, showing the importance of porosity and pore size for the adsorption. The performance of MIL-101 improves with modification: the adsorption capacity and kinetic constant are in the order of MIL-101 < ethylenediamine-grafted MIL-101 < protonated ethylenediamine-grafted MIL-101 (even though the porosity and pore size are slightly decreased with grafting and further protonation). The adsorption capacity of protonated ethylenediamine-grafted MIL-101 decreases with increasing the pH of an aqueous MO solution. These results suggest that the adsorption of MO on the MOF is at least partly due to the electrostatic interaction between anionic MO and a cationic adsorbent. Adsorption of MO at various temperatures shows that the adsorption is a spontaneous and endothermic process and that the entropy increases (the driving force of the adsorption) with MO adsorption. The adsorbent MIL-101s are re-usable after sonification in water. Based on this study, MOFs can be suggested as potential re-usable adsorbents to remove anionic dyes because of their high porosity, facile modification and ready re-activation.

  11. Hydrothermal Synthesis and Structural Characterization of Two Zinc Coordination Polymers of 1,2-Di(4-pyridyl)ethylene and Benzenedicarboxylate

    Institute of Scientific and Technical Information of China (English)

    LIU,Dong; LI,Hong-Xi; CHEN,Yang; ZHANG,Yong; LANG,Jian-Ping

    2008-01-01

    Hydrothermal reactions of Zn(NO3)2·6H2O with 1,2-di(4-pyridyl)ethylene (dpe) and 1,4-benzenedicarboxylate (1,4-BDC) or 1,3-benzenedicarboxylate (1,3-BDC) in water gave rise to two new metal-organic coordination poly-mers, [Zn(1,4-BDC)(dpe)]n (1) and [Zn4O(1,3-BDC)3(dpe)]n (2). Both compounds were characterized by elemental analysis and IR spectroscopy, and their structures were determined by single crystal X-ray diffraction. 1 displays a rare 5-fold interpenetrating 66-diamondoid framework while 2 possesses an interlocked 3D network formed by in-clined interpenetration of 2D (4,4) networks that are constructed by μ4-oxo tetrazinc Zn4O cores and the bridging dpe and 1,3-BDC ligands. Thermal and photoluminescent properties of 1 and 2 were also investigated.

  12. Synthesis,Structure and Luminescence of Two Coordination Polymers Based on 1,4-Benzenedicarboxylate and 2-(3-Pyridyl)benzimidazole Ligands

    Institute of Scientific and Technical Information of China (English)

    LI wei; LI Ming-Xing; HE Xiang; SHAO Min; AN Bao-Li

    2008-01-01

    Hydrothermal reactions of Cd(Ⅱ)/Zn(Ⅱ)nitrates with 1,4-benzenedicarboxylic acid(H2Bdc)and 2-(3-pyridyl)-benzimidazole(3-PyHBIm)afforded complexes {[Cd(3-PyHBlm)(Bdc)(H2O)2](H2Bdc)1/2]n(1)and [Zn(3-PyHBIm)2-(Bdc)(H2O)2]n(2).X-ray structural analysis reveals that both complexes are ID coordination polymers.In complex 1,3-PyHBIm coordinates to Cd(Ⅱ)unidentately via a pyridyl N-donor.Bdc2-anion acts as a tetradentate ligand and coordinates to Cd(Ⅱ)to form a zigzag chain where two H2O coordinate in cis-fashion.H2Bdc guest molecule is involved in the hydrogen-bonding network,which leads to a 3D supramolecular architecture.In complex 2,Bdc2-acts as a bidentate ligand and coordinates to Zn(Ⅱ)to form a linear infinite chain where two H2O molecules coordi-nate in trans-fashion.The complexes are thermally stable and exhibit luminescence in the solid state.

  13. Synthesis and Crystal Structure of a Novel Three-dimensional Complex Ni(Iz)2(Bdc)(H2O)2 (Iz = Imidazole, Bdc= 1,4-Benzenedicarboxylate)

    Institute of Scientific and Technical Information of China (English)

    TAN Xiao-Na; CHE Yun-Xia; ZHENG Ji-Min

    2006-01-01

    A novel nickel(Ⅱ) complex Ni(Iz)2(Bdc)(H2O)2 (Iz = imidazole, Bdc= 1,4-ben-zenedicarboxylate) has been synthesized and structurally characterized by X-ray analysis. The crystal is of monoclinic, space group P21/n with a = 5.5079(5), b = 15.0973, c = 9.9825(9) (A), β =90.2380(10)°, C14H16N4NiO6, Mr = 395.02, Z = 2, V = 830.08(13) (A)3, Dc = 1.580 g/cm3, μ(MoKα) =1.208 mm-1, F(000) = 408, R = 0.0234 and wR = 0.0603 for 1379 observed reflections (1 > 2σ(Ⅰ)). In the title complex, adjacent nickel(Ⅱ) ions are bridged through the oxygen atoms of carboxylic groups in syn-anti conformation, yielding an infinite one-dimensional chain. These chains are linked to each other to form a 3-D network structure by three kinds of hydrogen-bonding interactions.

  14. Hydrothermal crystal growth and Vernier structures of the metal benzenedicarboxylates MIL-47 and MIL-53 containing guest molecules of benzenecarboxylic acid

    Science.gov (United States)

    Wang, Xiqu; Jacobson, Allan J.

    2016-04-01

    The nanoporous frameworks VO(bdc), MIL-47, and M(OH)(bdc), MIL-53; bdc=1,4-benzenedicarboxylate, can absorb various guest species in their channels. As synthesized, the channels are filled with H2bdc molecules that have been reported to be disordered, except for [In(OH)bdc](H2bdc)3/4, 1, which has a inorganic-organic hybrid Vernier structure with the H2bdc molecules forming an ordered sublattice. Based on X-ray data from large single crystals grown by hydrothermal techniques, similar Vernier structures have been found for MIL-47, [VO(bdc)](H2bdc)5/7, 2, MIL-53Al, [Al(OH)(bdc)](H2bdc)11/16, 3, and MIL-53Ga, [Ga(OH)(bdc)](H2bdc)12/17, 4. The Vernier structures of 2-4 at room temperature were determined based on superstructure unit cells that index both host and guest sublattices: 2, space group P21, a=23.903(2), b=17.191(2), c=25.722(2) Å, β=105.914(8)°; 3, P21/n, a=105.224(4), b=12.2441(5), c=17.0143(6) Å, β=89.99(1)°; 4, P21, a=114.562(5), b=12.1503(5), c=17.4275(7) Å, β=89.99(1)°. The number of guest H2bdc molecules per framework metal ion is determined by the ratio of the repeat distances of the two sublattices which depends on the size of the metal ion in the octahedral chain. The octahedral chains are parallel to [201] in 2, and to [100] in 3 and 4. Remarkably, all atoms in 3 and 4 show significant sinusoidal modulations transverse to the chain axis.

  15. Effects of humic acids, para-aminobenzoic acid and ascorbic acid on the N-nitrosation of the carbamate insecticide propoxur and on the mutagenicity of nitrosopropoxur.

    Science.gov (United States)

    Gichner, T; Badaev, S A; Pospísil, F; Velemínský, J

    1990-03-01

    Nitrosation of the carbamate insecticide propoxur at pH 3 and 37 degrees C was determined colorimetrically and found to be time- and sodium nitrite concentration-dependent. Nitrosated propoxur was mutagenic when exposed to the seeds of the higher plant Arabidopsis thaliana but the formation of nitrosopropoxur, the presumed mutagen, was inhibited by humic acids, para-aminobenzoic acid and ascorbic acid. These agents also reduced the mutagenicity of preformed nitrosopropoxur.

  16. Assembly of 1D, 2D and 3D lanthanum(iii) coordination polymers with perchlorinated benzenedicarboxylates: positional isomeric effect, structural transformation and ring-opening polymerisation of glycolide.

    Science.gov (United States)

    Chen, Sheng-Chun; Dai, An-Qi; Huang, Kun-Lin; Zhang, Zhi-Hui; Cui, Ai-Jun; He, Ming-Yang; Chen, Qun

    2016-02-28

    Utilizing a series of positional isomers of tetrachlorinated benzenedicarboxylic acid ligands, seven La(iii)-based coordination polymers were solvothermally synthesized and structurally characterized. Their structural dimensionalities varying from 1D double chains, to the 2D 3,4,5-connected network, to 3D 6-connected pcu topological nets are only governed by the positions of carboxyl groups on the tetrachlorinated benzene ring. A comprehensive analysis and comparison reveals that the size of the carbonyl solvent molecules (DMF, DEF, DMA, and NMP) can affect the coordination geometries around the La(iii) ions, the coordination modes of carboxylate groups, the packing arrangements, and the void volumes of the overall crystal lattices. One as-synthesized framework further shows an unprecedented structural transformation from a 3D 6-connected network to a 3D 4,5-connected net through the dissolution and reformation pathway in water, suggesting that these easily hydrolyzed lanthanide complexes may serve as precursors to produce new high-dimensional frameworks. The bulk solvent-free melt polymerisation of glycolide utilizing these La(iii) complexes as initiators has been reported herein for the first time. All complexes were found to promote the polymerization of glycolide over a temperature range of 200 to 220 °C, producing poly(glycolic acid) (PGA) with a molecular weight up to 93,280. Under the same experimental conditions, the different catalytic activities for these complexes may result from their structural discrepancy.

  17. Construction of Six Coordination Polymers Based on a 5,5′-(1,2-Ethynyl)bis-1,3-benzenedicarboxylic Ligand: Synthesis, Structure, Gas Sorption, and Magnetic Properties

    KAUST Repository

    Zheng, Bing

    2013-03-06

    Six novel coordination polymers based on a multifunctional ligand, 5,5\\'-(1,2-ethynyl)bis-1,3-benzenedicarboxylic (H4EBDC), namely, |(C3H7NO)2(H2O)7(C 2H5OH)3| [Zn2(C18H 6O8)(C10H8N2) 2] (1), |(C3H7NO)3(H2O)30- (CH3CN)2|[Zn 6(C18H6O8)3(C 6H12N2O2)2] (2), |(C 3H7NO)2- (H2O)2(H 3O)2|[Cd3(C18H6O 8)2] (3), |(C3H7NO)|[Mn- (C 18H8O8)(C3H7NO) 2] (4), |(C3H7NO)2(H2O)(C 2H7N)3| [Mn6(C18H 7O8)4(H2O)8] (5), and [Mn2(C18H6O8)(C3H 7NO)2] (6), have been constructed under solvothermal conditions and structurally characterized by single-crystal X-ray diffraction. In these compounds, the ligand, H4EBDC, exhibits different coordination modes and conformations, constructing various architectures by bridging a variety of metal ions or polynuclear clusters. Compound 1 forms a three-dimensional (3D) FSC network constructed from two-dimensional (2D) layer motifs joined by EBDC4- and 4,4\\'-bipyridine bridges. Compound 2 possesses an NbO topology by linking Zn2(CO2)4 units with the ligand, coordinated amine molecules fill the pores, while compound 3 exhibits a 3D FLU network with Cd2+ as the cation and features an infinite framework built from tricadmium clusters. Compound 4 is based on PtS net, constructed of 4-connected rectangular H4EBDC units with tetrahedral monometallic Mn(CO2)4 nodes. Compound 5 is composed of 2D layers with (3,6)-connected KGD topology, and compound 6 consists of a 3D PtS-X network, built by bridging a metal chain with the ligand. The structures of these compounds have been discussed together with their corresponding properties, such as gas storage, separation, and magnetic properties. © 2013 American Chemical Society.

  18. A Novel (4,6)-Connected Net Based on Dysprosium Benzenedicarboxylate, [Dy(OAc)(BDC)]n

    Institute of Scientific and Technical Information of China (English)

    ZHANG Lei; LI Zhao-Ji; QIN Ye-Yan; CHENG Jian-Kai; YAO Yuan-Gen

    2008-01-01

    A new lanthanide coordination polymer, [Dy(OAc)(BDC)]n 1 (OAc= acetate, BDC = 1,4-benzenediacarboxylate), has been synthesized under hydrothermal conditions. Single-crystal X-ray diffraction analysis reveals that complex 1 has infinite zigzag Dy-OAc chains, which are further connected by BDC to form a 3D metal-organic framework. According to topology analysis, this framework can be characterized as (4,6)-connected (3.4.54)(32.4.56.66) net that has never been reported before. Crystal structure for 1: space group Pbca, a = 13.314(3), b = 8.0269(18), c = 20.275(5) A, V = 2166.8(9) A3, C10H7O6Dy, Mr= 385.66, Z = 8, Dc = 2.364 g/cm3, μ = 6.910 mm-1, F(000) = 1448, the final R = 0.0181 and wR = 0.0520.

  19. Identification de filtres solaires dérivés de l'acide para-aminobenzoique par spectroscopie RMN et par CPG/SM.

    Science.gov (United States)

    Masse, M O; Delporte, C; Bervelt, E

    2001-10-01

    Gas chromatography coupled with mass spectrometry and protonic nuclear magnetic resonance used directly or on fractions obtained by preparative thin layer chromatography, allow identification of the main molecule in commercial samples of PABA (Cas RN 150-13-0), PEG-25 PABA (Cas RN 116242-27-4), glyceryl PABA (Cas RN136-44-7), ethyl dihydroxypropyl PABA (Cas RN 58882-17-0) or octyl dimethyl PABA (Cas RN 21245-02-3).

  20. Synthesis,Structure,Fluorescent Property and Natural Bond Orbital(NBO) Analysis of a One-dimensional Cobalt(III) Complex Containing 1,3-Benzenedicarboxylate and 2-Methyldipyrido[3,2-f:2',3'-h]quinoxaline Ligand%Synthesis,Structure,Fluorescent Property and Natural Bond Orbital(NBO) Analysis of a One-dimensional Cobalt(III) Complex Containing 1,3-Benzenedicarboxylate and 2-Methyldipyrido[3,2-f:2',3'-h]quinoxaline LigandSynthesis,Structure,Fluorescent Property and Natural Bond Orbital(NBO) Analysis of a One-dimensional Cobalt(III) Complex Containing 1,3-Benzenedicarboxylate and 2-Methyldipyrido[3,2-f:2',3'-

    Institute of Scientific and Technical Information of China (English)

    王蕾; 倪良; 黄艳菊; 姚加

    2012-01-01

    A novel metal-organic coordination polymer [Co(m-BDC)(Medpq)·2H2O]n(m-H2BDC = benzene-1,3-dicarboxyalic acid,Medpq = 2-methyldipyrido[3,2-f:2',3'-h]quinoxaline) has been hydrothermally synthesized and structurally characterized by elemental analysis,IR spectrum and single-crystal X-ray diffraction.The title compound crystallizes in monoclinic,space group C2/c with a = 19.986(4),b = 15.789(3),c = 16.292(3)(A°),β = 126.54(3)°,V = 4130.3(14)(A°)^3,C23H18N4O6Co,Mr = 505.34,Dc = 1.625 g·cm^-3,Z = 8,μ = 0.883 mm^-1,F(000) = 2072,the final R = 0.0772 and wR = 0.1428.The crystal structure of complex 1 is an infinite zigzag-like chain of hexacoordinate Co^3+ ions,in which the Co^3+ ions are bridged in two coordination modes by m-BDC^2+ ligands and decorated by Medpq ligands,showing a slightly distorted octahedral geometry.Additionally,the compound shows strong fluorescence in the solid state at room temperature.Natural bond orbital(NBO) analysis is performed by using the NBO method built in Gaussian 03 Program.The calculation results show a covalent interaction between the coordinated atoms and Co^3+ ions.

  1. 78 FR 17656 - Certain New Chemicals; Receipt and Status Information

    Science.gov (United States)

    2013-03-22

    ... (S) Automotive metal recovery. If you are interested in information that is not included in these... show photographic identification, pass through a metal detector, and sign the EPA visitor log. All.... adhesive. Benzenedicarboxylic acid, polymer with substituted alkanediol, dodecanedioic acid,...

  2. 76 FR 58498 - Certain New Chemicals; Receipt and Status Information

    Science.gov (United States)

    2011-09-21

    ... Pollution Prevention ] and Toxics (OPPT), Environmental Protection Agency, 1200 Pennsylvania Ave., NW... Management Division (7407M), Office of Pollution Prevention and Toxics, Environmental Protection Agency, 1200...-benzenedicarboxylic for laminating of fiber acid, polymer with 1,2- reinforced plastic ethanediol,...

  3. 77 FR 30855 - Sixty-Ninth Report of the TSCA Interagency Testing Committee to the Administrator of the...

    Science.gov (United States)

    2012-05-23

    ... (CAS No. 103-23-1); di(2-ethylhexyl) terephthalate (CAS No. 6422-86-2); 2,2,4-trimethyl- 1,3...-86-2) was added to the Priority Testing List in the 11th ITC Report as bis(2-ethylhexyl...(2- ethylhexyl) ester; Di(2- ethylhexyl) adipate. 6422-86-2 1,4-Benzenedicarboxylic acid,...

  4. 77 FR 18752 - Benzidine-Based Chemical Substances; Di-n

    Science.gov (United States)

    2012-03-28

    ... From the Federal Register Online via the Government Publishing Office ENVIRONMENTAL PROTECTION AGENCY 40 CFR Part 721 RIN 2070-AJ73 Benzidine-Based Chemical Substances; Di-n-pentyl phthalate (DnPP...-based chemical substances; a SNUR for di-n-pentyl phthalate (DnPP) (1,2-benzenedicarboxylic acid,...

  5. Structural diversity and photocatalytic properties of Cd(II) coordination polymers constructed by a flexible V-shaped bipyridyl benzene ligand and dicarboxylate derivatives.

    Science.gov (United States)

    Liu, Lei-Lei; Yu, Cai-Xia; Ma, Feng-Ji; Li, Ya-Ru; Han, Jing-Jing; Lin, Lu; Ma, Lu-Fang

    2015-01-28

    Hydrothermal reactions of Cd(OAc)2·2H2O with a flexible V-shaped bipyridyl benzene ligand and five benzenedicarboxylic acid derivatives gave rise to five new coordination polymers i.e., [Cd(1,4-BDC)(bpmb)(H2O)]n (1), {[Cd(1,3-BDC)(bpmb)]·0.125H2O}n (2), [Cd2(5-Me-1,3-BDC)2(bpmb)2]n (3), [Cd(5-NO2-1,3-BDC)(bpmb)(H2O)]n (4) and [Cd(5-OH-1,3-BDC)(bpmb)(H2O)]n (5) (bpmb = 1,3-bis(pyridine-3-ylmethoxy)benzene, 1,4-H2BDC = 1,4-benzenedicarboxylic acid, 1,3-H2BDC = 1,3-benzenedicarboxylic acid, 5-Me-1,3-H2BDC = 5-methyl-1,3-benzenedicarboxylic acid, 5-NO2-1,3-H2BDC = 5-nitro-1,3-benzenedicarboxylic acid, 5-OH-1,3-H2BDC = 5-hydroxy-1,3-benzenedicarboxylic acid). Their structures have been determined by single-crystal X-ray diffraction analyses, elemental analyses, IR spectra, powder X-ray diffraction (PXRD) and thermogravimetric analyses (TGA). Compound 1 is a two-fold interpenetrating network showing the coexistence of polyrotaxane and polycatenane characters. Compounds 2 and 3 exhibit similar 2D (3,5)-connected (4(2)·6(7)·8)(4(2)·6) nets in which the bpmb ligands work as lockers in interlocking 1D [Cd(1,3-BDC/5-Me-1,3-BDC)]n chains. Compound 4 shows a 2D 4-connected (6(6)) sandwich-like structure with differently oriented [Cd(5-NO2-1,3-BDC)]n chains. Compound 5 is a 3D supramolecular pcu net based on a 1D ladder-shaped chain. These results suggest that the substituted positions of carboxylate groups and changes in substituted R groups in the 5-position of BDC ligands have significant effect on the final structures. These compounds exhibited relatively good photocatalytic activity towards the degradation of methylene blue (MB) in aqueous solution under UV irradiation. Moreover, solid-state photoluminescence properties of 1-5 were also investigated.

  6. Gated Channels and Selectivity Tuning of CO2 over N2 Sorption by Post-Synthetic Modification of a UiO-66-Type Metal-Organic Framework.

    Science.gov (United States)

    Kronast, Alexander; Eckstein, Sebastian; Altenbuchner, Peter T; Hindelang, Konrad; Vagin, Sergei I; Rieger, Bernhard

    2016-08-26

    The highly porous and stable metal-organic framework (MOF) UiO-66 was altered using post-synthetic modifications (PSMs). Prefunctionalization allowed the introduction of carbon double bonds into the framework through a four-step synthesis from 2-bromo-1,4-benzenedicarboxylic acid; the organic linker 2-allyl-1,4-benzenedicarboxylic acid was obtained. The corresponding functionalized MOF (UiO-66-allyl) served as a platform for further PSMs. From UiO-66-allyl, epoxy, dibromide, thioether, diamine, and amino alcohol functionalities were synthesized. The abilities of these compounds to adsorb CO2 and N2 were compared, which revealed the structure-selectivity correlations. All synthesized MOFs showed profound thermal stability together with an increased ability for selective CO2 uptake and molecular gate functionalities at low temperatures.

  7. Mixed ligand coordination polymer based on 5-nitroisophthalic acid and 1-(4-nitrophenyl)-1,2,4-triazole: Synthesis, characterization, magnetic and photocatalytic properties

    Science.gov (United States)

    Li, Le; Ju, Wen-Wen; Tao, Jian-Qing; Xin, Rong; Wang, Jun; Xu, Xiao-Juan

    2015-09-01

    A new Cu(II) coordination polymer, namely, [Cu(NPT)2(NO2-BDC)]n (1) (NO2-H2BDC = 5-nitro-1,3-benzenedicarboxylic acid, NPT = 4-(4-nitrophenyl)-1,2,4-triazole) has been synthesized under hydrothermal condition and characterized by elemental analysis, and single-crystal X-ray diffraction. Single-crystal X-ray diffraction study reveals that complex 1 features one-dimensional chain structure. The magnetic studies reveal that the antiferromagnetic interactions exist between the adjacent CuII ions. Moreover, complex 1 displays highly photocatalytic degradation activity for the degradation of rhodamine B, methylene blue and methyl orange.

  8. Template-Free Synthesis of Hierarchical Porous Metal-Organic Frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Yue, Yanfeng [ORNL; Qiao, Zhen-an [University of Tennessee, Knoxville (UTK); Fulvio, Pasquale F [ORNL; Dai, Sheng [ORNL; Binder, Andrew J [ORNL; Tian, Chengcheng [ORNL; Nelson, Kimberly M [ORNL; Zhu, Xiang [ORNL

    2013-01-01

    A template-free synthesis of a hierarchical microporous-mesoporous metal-organic framework (MOF) of Zn(II)-2,5-dihydroxy-1,4-benzenedicarboxylate, namely Zn-MOF-74, is reported. The surface morphology and porosity of the bimodal materials can be modified by etching the pore walls with the synthesis solvent under different reaction times and different solvents. This template-free strategy allows for the preparation of stable frameworks with mesopores exceeding 15 nm, which was previously unattained by the synthesis of MOFs by ligand exten-sion method.

  9. Di-(2-Ethylhexyl Phthalate and Autism Spectrum Disorders

    Directory of Open Access Journals (Sweden)

    Chiara Testa

    2012-04-01

    Full Text Available ASDs (autism spectrum disorders are a complex group of neurodevelopment disorders, still poorly understood, steadily rising in frequency and treatment refractory. Extensive research has been so far unable to explain the aetiology of this condition, whereas a growing body of evidence suggests the involvement of environmental factors. Phthalates, given their extensive use and their persistence, are ubiquitous environmental contaminants. They are EDs (endocrine disruptors suspected to interfere with neurodevelopment. Therefore they represent interesting candidate risk factors for ASD pathogenesis. The aim of this study was to evaluate the levels of the primary and secondary metabolites of DEHP [di-(2-ethylhexyl phthalate] in children with ASD. A total of 48 children with ASD (male: 36, female: 12; mean age: 11 ± 5 years and age- and sex-comparable 45 HCs (healthy controls; male: 25, female: 20; mean age: 12 ± 5 years were enrolled. A diagnostic methodology, based on the determination of urinary concentrations of DEHP metabolites by HPLC-ESI-MS (HPLC electrospray ionization MS, was applied to urine spot samples. MEHP [mono-(2-ethylhexenyl 1,2-benzenedicarboxylate], 6-OH-MEHP [mono-(2-ethyl-6-hydroxyhexyl 1,2-benzenedicarboxylate], 5-OH-MEHP [mono-(2-ethyl-5-hydroxyhexyl 1,2-benzenedicarboxylate] and 5-oxo-MEHP [mono-(2-ethyl-5-oxohexyl 1,2-benzenedicarboxylate] were measured and compared with unequivocally characterized, pure synthetic compounds (>98% taken as standard. In ASD patients, significant increase in 5-OH-MEHP (52.1%, median 0.18 and 5-oxo-MEHP (46.0%, median 0.096 urinary concentrations were detected, with a significant positive correlation between 5-OH-MEHP and 5-oxo-MEHP (r s=0.668, P<0.0001. The fully oxidized form 5-oxo-MEHP showed 91.1% specificity in identifying patients with ASDs. Our findings demonstrate for the first time an association between phthalates exposure and ASDs, thus suggesting a previously unrecognized role for

  10. Spin dynamics simulations of topological magnon insulators: From transverse current correlation functions to the family of magnon Hall effects

    Science.gov (United States)

    Mook, Alexander; Henk, Jürgen; Mertig, Ingrid

    2016-11-01

    We demonstrate theoretically that atomistic spin dynamics simulations of topological magnon insulators (TMIs) provide access to the magnon-mediated transport of both spin and heat. The TMIs, modeled by kagome ferromagnets with Dzyaloshinskii-Moriya interaction, exhibit nonzero transverse-current correlation functions from which conductivities are derived for the entire family of magnon Hall effects. Both longitudinal and transverse conductivities are studied in dependence on temperature and on an external magnetic field. A comparison between theoretical and experimental results for Cu(1,3-benzenedicarboxylate), a recently discovered TMI, is drawn.

  11. Phenolic ethers in the organic polymer of the Murchison meteorite

    Science.gov (United States)

    Hayatsu, R.; Winans, R. E.; Scott, R. G.; McBeth, R. L.; Moore, L. P.; Studier, M. H.

    1980-03-01

    Results of the oxidation of the organic polymer of the Murchison meteorite with alkaline cupric oxide, a mild-oxidant specific for cleaving ether linkages, are reported. Qualitative analyses by gas chromatography-mass spectrometry, solid-probe mass spectrometry and high-resolution mass spectrometry reveal the presence of large amounts of meta-hydroxybenzoic acid and 3-hydroxy-1,5-benzenedicarboxylic acid, along with seven phenolic acids, in the oxidized solution, indicating the presence of phenolic ethers and of aryl alkyl ethers having no nuclear hydroxy group in the meteorite. The formation of phenolic ethers in the solar nebula by Fischer-Tropsch type reactions is then discussed.

  12. Di-(2-ethylhexyl phthalate and autism spectrum disorders

    Directory of Open Access Journals (Sweden)

    Giuseppe Latini

    2012-05-01

    Full Text Available ASDs (autism spectrum disorders are a complex group of neurodevelopment disorders, still poorly understood, steadily rising in frequency and treatment refractory. Extensive research has been so far unable to explain the aetiology of this condition, whereas a growing body of evidence suggests the involvement of environmental factors. Phthalates, given their extensive use and their persistence, are ubiquitous environmental contaminants. They are EDs (endocrine disruptors suspected to interfere with neurodevelopment. Therefore they represent interesting candidate risk factors for ASD pathogenesis. The aim of this study was to evaluate the levels of the primary and secondary metabolites of DEHP [di-(2-ethylhexyl phthalate] in children with ASD. A total of 48 children with ASD (male: 36, female: 12; mean age: 11±5 years and age- and sex-comparable 45 HCs (healthy controls; male: 25, female: 20; mean age: 12±5 years were enrolled. A diagnostic methodology, based on the determination of urinary concentrations of DEHP metabolites by HPLC-ESI-MS (HPLC electrospray ionization MS, was applied to urine spot samples. MEHP [mono-(2-ethylhexenyl 1,2-benzenedicarboxylate], 6-OH-MEHP [mono-(2-ethyl-6-hydroxyhexyl 1,2-benzenedicarboxylate], 5-OH-MEHP [mono-(2-ethyl-5-hydroxyhexyl 1,2-benzenedicarboxylate] and 5-oxo-MEHP [mono-(2-ethyl-5-oxohexyl 1,2-benzenedicarboxylate] were measured and compared with unequivocally characterized, pure synthetic compounds (>98% taken as standard. In ASD patients, significant increase in 5-OH-MEHP (52.1%, median 0.18 and 5-oxo-MEHP (46.0%, median 0.096 urinary concentrations were detected, with a significant positive correlation between 5-OH-MEHP and 5-oxo-MEHP (rs = 0.668, P<0.0001. The fully oxidized form 5-oxo-MEHP showed 91.1% specificity in identifying patients with ASDs. Our findings demonstrate for the first time an association between phthalates exposure and ASDs, thus suggesting a previously unrecognized role for

  13. Identification of organic compounds and ecotoxicological assessment of sewage treatment plants (STP) effluents.

    Science.gov (United States)

    Aguayo, Sonia; Muñoz, M Jesús; de la Torre, Ana; Roset, Jaime; de la Peña, Eduardo; Carballo, Matilde

    2004-07-26

    An integrated approach combining chemistry and biological methods was conducted to assess the toxicity of seven sewage treatment plant effluents. Solid phase concentration procedures were applied to facilitate the study of organic micro pollutants. A chemical analysis was performed by GC/MS. Organic fraction toxicity was determined by using bioassays such as Daphnia magna and Chlorella vulgaris tests and sub-lethal effects were also evaluated by using Salmonella typhimurium Test (mutagenicity), recombinant yeast screen (estrogenicity), and Oryzias latipes embryo-larval test. More than 49 compounds were detected in the organic fraction due to the various inputs of each effluents. The most frequently detected compounds in the effluents were bisphenol A (BPA), octylphenol (OP), 1,2-benzenedicarboxylic acid, bis(2-ethylhexyl) ester (DEHP) and 1,2-benzenedicarboxylic acid, bis(methylpropyl) ester (DBP). Biological assays showed toxicity effects on D. magna tests in all samples, whereas toxicity on C. vulgaris or S. typhimurium tests were not observed. Estrogenicity and teratogenicity were observed in several samples. The cause-effect relationship could not be established given the high chemical complexity of the effluents and the lack of information available on 70% of the detected compounds subsequent to reviewing various data bases. Nevertheless, due to the high chemical variability revealed by STP effluents, bioassay sets may provide a very useful amount of information for detecting potential toxicity risks.

  14. [Research of the essential oil of Plumeria rubra var. actifolia from Laos by supercritical carbon dioxide extraction].

    Science.gov (United States)

    Xiao, Xin-Yu; Cui, Long-Hai; Zhou, Xin-Xin; Wu, Yan; Ge, Fa-Huan

    2011-05-01

    The orthogonal test and the supercritical carbon dioxide fluid extraction were used for optimizing the extraction of the essential oil from Plumeria rubra var. actifolia for the first time. Compared with the steam distillation, the optimal operation parameter of extraction was as follows: extraction pressure 25 MPa, extraction temperature 45 degrees C; separator I pressure 12 MPa, separator I temperature 55 degrees C; separator II pressure 6 MPa, separator II temperature 30 degrees C. Under this condition the yield of the essential oil was 5.8927%. The components were separated and identified by GC-MS. 53 components of Plumeria rubra var. actifolia measured by SFE method were identified and determined by normalization method. The main components were 1, 6, 10-dodecatrien-3-ol, 3, 7, 11-trimethyl, benzoic acid, 2-hydroxy-, phenylmethyl ester, 1, 2-benzenedicarboxylic acid, bis(2-methylpropyl) ester,etc.. 1, 2-Benzenedicarboxylic acid, bis (2-methylpropyl) este. took up 66.11% of the total amount, and there was much difference of the results from SD method.

  15. One-pot synthesis of a metal–organic framework as an anode for Li-ion batteries with improved capacity and cycling stability

    Energy Technology Data Exchange (ETDEWEB)

    Gou, Lei, E-mail: Leigou@chd.edu.cn; Hao, Li-Min; Shi, Yong-Xin; Ma, Shou-Long; Fan, Xiao-Yong; Xu, Lei; Li, Dong-Lin, E-mail: dlli@chd.edu.cn; Wang, Kang

    2014-02-15

    Metal–organic framework is a kind of novel electrode materials for lithium ion batteries. Here, a 3D metal–organic framework Co{sub 2}(OH){sub 2}BDC (BDC=1,4-benzenedicarboxylate) was synthesized for the first time by the reaction of Co{sup 2+} with a bio-inspired renewable organic ligand 1,4-benzenedicarboxylic acid through a solvothermal method. As an anode material for lithium ion batteries, this material exhibited an excellent cyclic stability as well as a large reversible capacity of ca. 650 mA h g{sup −1} at a current density of 50 mA g{sup −1} after 100 cycles within the voltage range of 0.02–3.0 V, higher than that of other BDC based anode. - Graphical abstract: The PXRD pattern and the cycleability curves (inset) of Co{sub 2}(OH){sub 2}BDC. Display Omitted - Highlights: • Co{sub 2}(OH){sub 2}BDC was synthesized through a one pot solvothermal process. • The solvent had a great effect on the purity of this material. • This material was used as anode material for lithium ion batteries for the first time. • Co{sub 2}(OH){sub 2}BDC showed improved capacity and cycling stability.

  16. Degradation of acid red 97 dye in aqueous medium using wet oxidation and electro-Fenton techniques.

    Science.gov (United States)

    Kayan, Berkant; Gözmen, Belgin; Demirel, Muhammet; Gizir, A Murat

    2010-05-15

    Degradation of the acid red 97 dye using wet oxidation, by different oxidants, and electro-Fenton systems was investigated in this study. The oxidation effect of different oxidants such as molecular oxygen, periodate, persulfate, bromate, and hydrogen peroxide in wet oxidation system was compared. Mineralization of AR97 with periodate appeared more effective when compared with that of the other oxidants at equal initial concentration. When 5 mM of periodate was used, at the first minute of the oxidative treatment, the decolorization percentage of AR97 solution at 150 and 200 degrees C reached 88 and 98%, respectively. The total organic carbon removal efficiency at these temperatures also reached 60 and 80%. The degradation of AR97 was also studied by electro-Fenton process. The optimal current value and Fe(2+) concentration were found to be 300 mA and 0.2 mM, respectively. The results showed that electro-Fenton process can lead to 70 and 95% mineralization of the dye solution after 3 and 5h giving carboxylic acids and inorganic ions as final end-products before mineralization. The products obtained from degradation were identified by GC/MS as 1,2-naphthalenediol, 1,1'-biphenyl-4-amino-4-ol, 2-naphthalenol diazonium, 2-naphthalenol, 2,3-dihydroxy-1,4-naphthalenedion, phthalic anhydride, 1,2-benzenedicarboxylic acid, phthaldehyde, 3-hydroxy-1,2-benzenedicarboxylic acid, 4-amino-benzoic acid, and 2-formyl-benzoic acid.

  17. Carbon dioxide adsorption in amine-functionalized mixed-ligand metal-organic frameworks of UiO-66 topology.

    Science.gov (United States)

    Ethiraj, Jayashree; Albanese, Elisa; Civalleri, Bartolomeo; Vitillo, Jenny G; Bonino, Francesca; Chavan, Sachin; Shearer, Greig C; Lillerud, Karl Petter; Bordiga, Silvia

    2014-12-01

    A series of mixed-ligand [1,4-benzenedicarboxylic acid (BDC)/2-amino-1,4-benzenedicarboxylic acid (ABDC)] UiO-66 metal-organic frameworks (MOFs) synthesized through two different methods (low (LT) and high temperature (HT)) have been investigated for their carbon dioxide adsorption properties from 0 to 1 bar to clarify the role of amino loading on carbon dioxide uptake. Volumetric CO2 isotherms show that the CO2 capacity (normalized to the Langmuir surface area) increases with a degree of functionalization of about 46%; for similar NH2 contents, the same values are found for both synthetic procedures. Microcalorimetric isotherms reveal that amino-functionalized materials have a larger differential heat of adsorption (q(diff) ) towards CO2 ; reaching 27(25) and 20(22) kJ mol(-1) on HT(LT)-UiO-66-NH2 and UiO-66, respectively, at the lowest equilibrium pressures used in this study. All experimental results are supported by values obtained through quantum mechanical calculations.

  18. TiO{sub 2}/Bi{sub 2}(BDC){sub 3}/BiOCl nanoparticles decorated ultrathin nanosheets with excellent photocatalytic reaction activity and selectivity

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Shu-Mei; Ma, De-Kun, E-mail: dkma@wzu.edu.cn; Cai, Ping; Chen, Wei; Huang, Shao-Ming, E-mail: smhuang@wzu.edu.cn

    2014-12-15

    Graphical abstract: TiO{sub 2}/Bi{sub 2}(BDC){sub 3}/BiOCl nanoparticles decorated ultrathin nanosheets showed excellent photocatalytic reaction activity and selectivity. - Highlights: • TiO{sub 2}/Bi{sub 2}(BDC){sub 3}/BiOCl nanoparticles decorated ultrathin nanosheets were synthesized through a facile hydrothermal process. • The products showed excellent photocatalytic activities for the degradation of various dyes. • The photocatalytic activities of the composite materials could be easily adjusted through tuning the content of TiO{sub 2}. • TiO{sub 2}/Bi{sub 2}(BDC){sub 3}/BiOCl displayed obvious photocatalytic selectivity in mixed dyes systems of rhodamine B and eosin Y. - Abstract: Photocatalysts with excellent photocatalytic reaction activity and ideal selectivity are highly desirable for pollutants clearance and purification of targeted organics from a mixture. Continued efforts toward the goal, we here present a facile hydrothermal route to synthesize TiO{sub 2}/Bi-benzenedicarboxylate/BiOCl nanoparticles decorated ultrathin nanosheets with a thickness less than 5 nm on a large scale. The as-synthesized products showed excellent photocatalytic activities for the degradation of various dyes such as rhodamine B, eosin Y and methylene blue in aqueous solution under visible light irradiation. The photocatalytic activities of TiO{sub 2}/Bi-benzenedicarboxylate/BiOCl nanocomposites for the degradation of rhodamine B and eosin Y could be adjusted through tuning the content of TiO{sub 2}. With increasing the amount of TiO{sub 2}, the composites showed declining photocatalytic activities in decomposing of rhodamine B while on the contrary they displayed enhanced photocatalytic activities in decomposing of eosin Y. Interestingly, TiO{sub 2}/Bi-benzenedicarboxylate/BiOCl composite nanosheets showed obvious photocatalytic selectivity in a mixed dyes system. The photocatalytic reaction and selectivity mechanisms of the nanocomposites for the degradation of the

  19. 云衫针层孔菌化学成分的研究%STUDIES ON THE CHEMICAL CONSTITUENTS OF PHELLINUS YAMANOI

    Institute of Scientific and Technical Information of China (English)

    何坚; 冯孝章

    2000-01-01

    从云衫针层孔菌Phellinus yamanoi(Tamz.)shaw分离得到12个化合物,借助光谱分析鉴定为:8,11,13-abietadien-18-oic acid(1),1,2-benzenedi-carboxylic acid bis(2-ethylhexyl )ester (2) ,ergosterol peroxide(3) ,ergosta 7,22 (E)-dien-3-ol (4), ergosta 7,22 (Z)-dien-3- ol (5), octadecanoic acid- 1,3-propanediyl ester (6), octadecanoic acid ( 7), 8 ( 19), 14-1abdadien-13-ol(8),ergosta-4,6,8(14),22-tetraen-3-one(9),化合物(10)为鞘氨醇类似物以及mannitol(11)和D-mannose(12).

  20. Antagonistic Evaluation of Bioactive Metabolite from Endophytic Fungus, Aspergillus flavipes KF671231

    Directory of Open Access Journals (Sweden)

    Ankita Verma

    2014-01-01

    Full Text Available Of the total 40 endophytic fungi isolated from foliar tissues of medicinal plant Stevia rebaudiana Bertoni, a fungal isolate, Aspergillus flavipes, was subjected to bioassay guided fractionation. The fractionation was found active against medicinal plant pathogen Sclerotinia sclerotiorum with an inhibition zone of 29 mm in size. Further the metabolite was extracted which shows 20% growth inhibition in 24 h and 46% after 48 h, respectively. Bioassay guided chemical compound was identified as 1,2-benzenedicarboxylic acid, mono(2-ethylhexyl ester. On the basis of morphological characters and rDNA sequencing of ITS region the endophyte was identified as Aspergillus flavipes which showed promising plant growth promotory properties.

  1. Introduction of fluorin into PBO polymer chains:Toward higher thermal stability and lower dielectric constant

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    A series of novel fluorinated benzoxazole polymers (6FPBO’s) with high thermal stability and low dielectric constant were synthesized by copolymerization of 1,3-diamino-4, 6-dihydroxybenzene dihy-drochloride (DAR), 1,4-benzenedicarboxylic acid (PTA) and various amount of 4’4- (hexafluoroisopro-pylidene) bis (benzoic acid) (BIS-B-AF) in the medium of polyphosphoric acid (PPA). 6FPBO fibers were then obtained via dry-jet wet-spinning technique and characterized by means of Fourier transform infrared (FTIR) spectra, thermogravimetric analysis (TGA), single fiber tensile testing machine and scanning electron microscopy (SEM). FTIR spectrum of 6FPBO fibers indicated that the fluorine groups had been incorporated into PBO molecular chains successfully. TGA curves revealed that 6FPBO fibers possessed high thermal stability just as pure PBO fibers. Moreover, dielectric constant spectrum of 6FPBO exhibited that the polymers had low dielectric constant, especially in the range of high- frequency.

  2. Phylogenetic and degradation characterization of Burkholderia cepacia WZ1 degrading herbicide quinclorac.

    Science.gov (United States)

    Lü, Zhenmei; Min, Hang; Wu, Shuwen; Ruan, Aidong

    2003-11-01

    Strain WZI capable of degrading quinclorac was isolated from a pesticide manufactory soil and considered to be Burkholderia cepacia, belonged to bacteria, Proteobacteria, beta-Proteobacteria, based on morphology, physio-biochemical properties, whole cell fatty acid analysis and a partial sequencing of 16S rDNA. Strain WZ1 decomposed 90% of quinclorac at original concentration of 1000 mg L(-1) within 11 days. GC/MS analysis showed that the strain degraded quinclorac to 3,7-dichloro-8-quinoline and the cracked residue 2-chloro, 1,4-benzenedicarboxylic acid, indicating that the metabolic pathway was initiated by process of decarboxylation followed by cleavage of the aromatic ring. Stain WZ1 was also able to degrade some other herbicides and aromatic compounds, including 2,4,5-T, phenol, naphthalene and hydrochinone etc. This paper describes for the first time Phylogenetic and degradation characterization of a pure bacterium which, is able to mineralize quinclorac.

  3. Thermodynamics of the Oxygen Evolution Electrocatalysis in Metal-Organic Frameworks

    CERN Document Server

    Musho, Terence; Wu, Nianqiang

    2015-01-01

    Metal-organic frameworks (MOFs) provide a versatile and tailorable material platform that embody many desirable attributes for photocatalytic water-splitting. The approach taken in this study was to use Density Functional Theory (DFT) to predict the thermodynamic energy barriers of the oxygen evolution reaction (OER) for three MOF functionalizations. A Zr-MIL-125 MOF design was selected for this study that incorporates three linker designs, a 1,4-benzenedicarboxylate (BDC), BDC functionalized with an amino group (BDC+NH2), and BDC functionalized with nitro group (BDC+NO2). The study found several key differences between homogeneous planar catalyst thermodynamics and MOF based thermodynamics, the most significant being the non-unique or heterogeneity of reaction sites. Additionally, the funcationalization of the MOF was found to significantly influence the hydroperoxyl binding energy, which proves to be the largest hurdle for both oxide and MOF based catalyst. Both of these findings provide evidance that many ...

  4. Chemistry of clitoral gland secretions of the laboratory rat: Assessment of behavioural response to identified compounds

    Indian Academy of Sciences (India)

    S Kannan; G Archunan

    2001-06-01

    The present investigations were carried out to find out the chemical nature of clitoral gland extracts and their involvement in reproductive and social behaviour. Homogenates of clitoral glands of mature estrous female rats were extracted with -hexane and dichloromethane (1 : 1 ratio v/v) and analysed by gas chromatography linked mass spectrometry (GC-MS). Three peaks were found to be in higher concentration, which were identified as 6,11-dihydro-dibenz-b,e-oxepin-11-one (I); 2,6,10-dodecatrien-1-ol-3,7,11-trimethyl(Z) (II); and 1,2-benzene-dicarboxylic acid butyl(2-ethylpropyl) ester (III).Odour preference tests demonstrated that the first compound attracted conspecifics of the opposite sex. By contrast, the second and third compounds were found to attract both sexes. The results conclude that the clitoral gland of laboratory rat contains three major chemical compounds which have a unique function in maintaining social and reproductive status.

  5. Cobalt-based metal organic framework with superior lithium anodic performance

    Science.gov (United States)

    Hu, Xiaoshi; Hu, Huiping; Li, Chao; Li, Tian; Lou, Xiaobing; Chen, Qun; Hu, Bingwen

    2016-10-01

    The reversible charging of a Co-1,4-benzenedicarboxylate MOF (Co-BDC MOF) prepared via an one-pot solvothermal method was studied for use as the anode in a Li-ion cell. It was found that this MOF anode provides high reversible capacities (1090 and 611 mA h g-1 at current densities of 0.2 and 1 A g-1, respectively), and an impressive rate performance. Such an outstanding Li-ion storage property has not been reported previously for the LIB anodes within the MOFs category. Ex-situ X-ray photoelectron spectroscopy (XPS) and infrared spectroscopy (IR) studies of this material at different state of charge suggest that cobalt stays at Co2+ state during discharge/charge process, so that in this case Li+ may be inserted into the organic moiety without the direct participation of cobalt ions.

  6. Extending the lanthanide-terephthalate system: Isolation of an unprecedented Tb(III)-based coordination polymer with high potential porosity and luminescence properties

    Science.gov (United States)

    Le Natur, François; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Bernot, Kevin; Guillou, Olivier

    2015-04-01

    A novel coordination polymer with chemical formula {[Tb(bdc)1.5(H2O)]ṡ(DMF)(H2O)}∞ (1) has been synthesized by reaction between 1,4-benzene-dicarboxylic acid (H2bdc) and di-cationic hexanuclear entity [Tb6O(OH)8(NO3)6(H2O)12]2+ in an ethylene glycol (EG)/N,N-dimethylformamide (DMF) mixture. This compound has been obtained as single crystals by slow evaporation in air at room temperature. If the hexanuclear entity is destroyed during the reaction, the coordination polymer that is obtained is original and presents promising potential micro-porosity and luminescent properties. It crystallizes in the monoclinic system, space group C12/c1 (No. 15) with the cell parameters a = 23.7540(1) Å, b = 10.5390(4) Å, c = 19.7580(3) Å, β = 125.8100(1)° and Z = 8.

  7. Solid lithium electrolyte via addition of lithium salts to metal-organic frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Wiers, Brian M.; Balsara, Nitash P.; Long, Jeffrey R.

    2016-12-20

    Various embodiments of the invention disclose that the uptake of LiO.sup.iPr in Mg.sub.2(dobdc) (dobdc.sup.4-=1,4-dioxido-2,5-benzenedicarboxylate) followed by soaking in a typical electrolyte solution leads to a new solid lithium electrolyte Mg.sub.2(dobdc).0.35LiO.sup.iPr.0.25LiBF.sub.4.EC.DEC. Two-point ac impedance data show a pressed pellet of this material to have a conductivity of 3.1.times.10.sup.-4 S/cm at 300 K. In addition, the results from variable-temperature measurements reveal an activation energy of approximately 0.15 eV, while single-particle data suggest that intraparticle transport dominates conduction.

  8. Sonochemical Synthesis of Photoluminescent Nanoscale Eu(III-Containing Metal-Organic Frameworks

    Directory of Open Access Journals (Sweden)

    Cheng-an TAO

    2015-11-01

    Full Text Available Nanoscale lanthanide-containing metal-organic frameworks (MOFs have more and more interest due to their great properties and potential applications, but how to construct them easily is still challenging. Here, we present a facile and rapid synthesis of Eu(III-containing Nanoscale MOF (denoted as NMOF under ultrasonic irradiation. The effect of the ratio and the addition order of metal ions and linkers on the morphology and size of MOFs was investigated. It is found that both of the ratio and the addition order can affect the morphology and size of 1.4-benzenedicarboxylic acid(H2BDC -based MOFs, but they show no evident influence on that of H2aBDC-based MOFs. The former exhibit typical emission bands of Eu(III ions, while the latter only show the photoluminescent properties of ligands.DOI: http://dx.doi.org/10.5755/j01.ms.21.4.9695

  9. Effect of central metal ions of analogous metal-organic frameworks on the adsorptive removal of benzothiophene from a model fuel.

    Science.gov (United States)

    Khan, Nazmul Abedin; Jhung, Sung Hwa

    2013-09-15

    Liquid phase adsorption of benzothiophene (BT) has been studied over CuCl₂-loaded analogous metal-organic frameworks (MOFs), metal-benzenedicarboxylates (Me-BDCs, Me: Al, Cr and V), to understand the effect of central metal ions on the adsorptive removal of BT from a model fuel. Among the central metal ions (Al(3+), Cr(3+) and V(3+)) of the Me-BDCs only V(3+) was oxidized by the loaded CuCl₂ (or Cu(2+)) at ambient condition resulting in V(4+) and Cu(+) species. Different from the CuCl₂-loaded Al- and Cr-BDCs, the CuCl₂/V-BDC adsorbed BT remarkably well compared to the virgin V-BDCs which suggests a specific favorable interaction (π-complexation) between the obtained Cu(+) in the CuCl₂/V-BDC and BT.

  10. Solid lithium electrolyte via addition of lithium salts to metal-organic frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Wiers, Brian M.; Balsara, Nitash P.; Long, Jeffrey R.

    2016-03-29

    Various embodiments of the invention disclose that the uptake of LiO.sup.iPr in Mg.sub.2(dobdc) (dobdc.sup.4-=1,4-dioxido-2,5-benzenedicarboxylate) followed by soaking in a typical electrolyte solution leads to a new solid lithium electrolyte Mg.sub.2(dobdc).0.35LiO.sup.iPr.0.25LiBF.sub.4.EC.DEC. Two-point ac impedance data show a pressed pellet of this material to have a conductivity of 3.1.times.10.sup.-4 S/cm at 300 K. In addition, the results from variable-temperature measurements reveal an activation energy of approximately 0.15 eV, while single-particle data suggest that intraparticle transport dominates conduction.

  11. Construction of Four Zn(II Coordination Polymers Used as Catalysts for the Photodegradation of Organic Dyes in Water

    Directory of Open Access Journals (Sweden)

    Lei-Lei Liu

    2016-01-01

    Full Text Available Hydrothermal reactions of Zn(OAc2·2H2O with flexible bipyridyl benzene ligand and three dicarboxylic derivatives gave rise to four new coordination polymers, [Zn7(μ4-O2(OAc10(bpmb]n (1, [Zn(5-OH-1,3-BDC(bpmb]n (2, [Zn(1,2-BDC(bpmb]n (3 and [Zn2(ADB2(bpmb]n (4 (bpmb = 1,4-bis(pyridine-3-ylmethoxybenzene, 5-OH-1,3-H2BDC = 5-hydroxy-1,3-benzenedicarboxylic acid, 1,2-H2BDC = 1,2-benzenedicarboxylic acid, H2ADB = 2,2’-azodibenzoic acid. Their structures were characterized by single-crystal X-ray diffraction, elemental analyses, IR spectra, powder X-ray diffraction (PXRD and thermogravimetric analyses (TGA. Compound 1 features a one-dimensional (1D chain structure based on the rare heptanuclear [Zn7(μ4-O(μ3-OAc2(μ2-OAc8] units. Compound 2 exhibits a novel 2D bilayer structure built from the two parallel 2D (4,4 layers. Compound 3 holds a 2D structure in which the 1,2-BDC ligands work as lockers interlocking 1D [Zn(bpmb]n chain. Compound 4 comprises a 3D framework constructed by 2D wrinkled [Zn2(ADB4]n networks and bpmb linkers with a six-connected pcu net. These results suggest that the motifs of the dicarboxylic ligands have significant effect on the final structures. These compounds exhibited relatively good photocatalytic activity towards the degradation of methylene blue (MB in aqueous solution under a Xe lamp irradiation.

  12. Facile synthesis of amino-functionalized titanium metal-organic frameworks and their superior visible-light photocatalytic activity for Cr(VI) reduction.

    Science.gov (United States)

    Wang, Hou; Yuan, Xingzhong; Wu, Yan; Zeng, Guangming; Chen, Xiaohong; Leng, Lijian; Wu, Zhibin; Jiang, Longbo; Li, Hui

    2015-04-09

    Porous metal-organic frameworks (MOFs) have been arousing a great interest in exploring the application of MOFs as photocatalyst in environment remediation. In this work, two different MOFs, Ti-benzenedicarboxylate (MIL-125(Ti)) and amino-functionalized Ti-benzenedicarboxylate (NH2-MIL-125(Ti)) were successfully synthesized via a facile solvothermal method. The MIL-125(Ti) and NH2-MIL-125(Ti) were well characterized by XRD, SEM, XPS, N2 adsorption-desorption measurements, thermogravimetric analysis and UV-vis diffuse reflectance spectra (DRS). It is revealed that the NH2-MIL-125(Ti) has well crystalline lattice, large surface area and mesoporous structure, chemical and thermal stability, and enhanced visible-light absorption up to 520 nm, which was associated with the chromophore (amino group) in the organic linker. Compared with MIL-125(Ti), NH2-MIL-125(Ti) exhibited more efficient photocatalytic activity for Cr(VI) reduction from aqueous solution under visible-light irradiation. The addition of hole scavenger, the hole scavenger concentration and the pH value of the reaction solution played important roles in the photo-catalytic reduction of Cr(VI). The presence of Ti(3+)-Ti(4+) intervalence electron transfer was the main reason for photo-excited electrons transportation from titanium-oxo clusters to Cr(VI), facilitating the Cr(VI) reduction under the acid condition. It was demonstrated that amino-functionalized Ti(IV)-based MOFs could be promising visible-light photocatalysts for the treatment of Cr(VI)-contained wastewater.

  13. Chemical composition, cytotoxicity effect and antimicrobial activity of Ceratonia siliqua essential oil with preservative effects against Listeria inoculated in minced beef meat.

    Science.gov (United States)

    Hsouna, Anis Ben; Trigui, Mohamed; Mansour, Riadh Ben; Jarraya, Raoudha Mezghani; Damak, Mohamed; Jaoua, Samir

    2011-07-15

    The present study describes the phytochemical profile and the protective effects of Ceratonia siliqua pods essential oil (CsEO), a food and medicinal plant widely distributed in Tunisia. Twenty five different components were identified in the CsEO. Among them, the major detected components were: Nonadecane, Heneicosane , Naphthalene, 1,2-Benzenedicarboxylic acid dibutylester, Heptadecane, Hexadecanoic acid, Octadecanoic acid, 1,2-Benzenedicarboxylic acid, Phenyl ethyl tiglate, Eicosene, Farnesol 3, Camphor, Nerolidol and n-Eicosane. The antimicrobial activity of CsEO was evaluated against a panel of 13 bacteria and 8 fungal strains using agar diffusion and broth microdilution methods. Results have shown that CsEO exhibited moderate to strong antimicrobial activity against the tested species. In addition, the inhibitory effect of this CsEO was evaluated in vivo against a foodborne pathogens Listeria monocytogenes, experimentally inoculated in minced beef meat (2×10(2) CFU/g of meat) amended with different concentrations of the CsEO and stored at 7 °C for 10 days. The antibacterial activity of CsEO in minced beef meat was clearly evident and its presence led to a strong inhibitory effect against the pathogens at 7 °C. On the other hand, the cytotoxic effects of the essential oil against two tumoral human cell lines HeLa and MCF-7 were examined by MTT assay. The CsEO showed an inhibition of both cell lines with significantly stronger activity against HeLa cells. The IC(50) values were 210 and 800 μg/ml for HeLa and MCF-7 cells, respectively. Overall, results presented here suggest that the EO of C. siliqua possesses antimicrobial and cytotoxic properties, and is therefore a potential source of active ingredients for food and pharmaceutical industry.

  14. Carboxylate ligands induced structural diversity of zinc(II) coordination polymers based on 3,6-bis(imidazol-1-yl)carbazole: Syntheses, structures and photocatalytic properties

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Hong-Jian, E-mail: hjcheng@cslg.cn; Tang, Hui-Xiang; Shen, Ya-Li; Xia, Nan-Nan; Yin, Wen-Yu; Zhu, Wei; Tang, Xiao-Yan; Ma, Yun-Sheng; Yuan, Rong-Xin, E-mail: yuanrx@cslg.edu.cn

    2015-12-15

    Solvothermal reactions of Zn(NO{sub 3}){sub 2}·6H{sub 2}O with 3,6-bis(1-imidazolyl)carbazole (3,6-bmcz) and 1,4-benzenedicarboxylic acid (1,4-H{sub 2}bdc), p-phenylenediacetic acid (p-H{sub 2}pda), benzophenone-4,4-dicarboxylic acid (H{sub 2}bpda) afforded three coordination polymers [Zn(1,4-bdc)(3,6-bmcz)]{sub n} (1), {[Zn(p-pda)(3,6-bmcz)]·1.5H_2O}{sub n} (2) and {[Zn(bpda)(3,6-bmcz)]·0.25H_2O}{sub n} (3). Complexes 1–3 were characterized by elemental analysis, IR, powder X-ray diffraction, and single-crystal X-ray diffraction. Complex 1 shows 3D structure with 2D nets inclined polycatenation. Complexes 2 and 3 possess an extended 3D supramolecular architecture based on their respective 2D layers through hydrogen-bonding interactions and the π···π stacking interactions. The solid state luminescent and optical properties of 1–3 at ambient temperature were also investigated. A comparative study on their photocatalytic activity toward the degradation of methylene blue in polluted water was explored. - Graphical abstract: Reactions of Zn(NO{sub 3}){sub 2} and 3,6-(1-imidazolyl)carbazole with 1,4-benzenedicarboxylic acid, p-phenylenediacetic acid or benzophenone-4,4-dicarboxylic acid afforded three coordination polymers with different topologies and photocatalytic activity. - Highlights: • Reactions of 1,4-H{sub 2}bdc, p-H{sub 2}pda or H{sub 2}bpda with 3,6-bmcz and Zn(II) gave three CPs. • Complex 1 is a 3D entanglement. • Complex 2 or 3 is a 3D supramolecular structure based on different 2D layers. • Complex 2 exhibited good catalytic activity of methylene blue photodegradation.

  15. Facile synthesis of amino-functionalized titanium metal-organic frameworks and their superior visible-light photocatalytic activity for Cr(VI) reduction

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Hou [College of Environmental Science and Engineering, Hunan University, Changsha 410082 (China); Key Laboratory of Environment Biology and Pollution Control, Hunan University, Ministry of Education, Changsha 410082 (China); Yuan, Xingzhong, E-mail: yxz@hnu.edu.cn [College of Environmental Science and Engineering, Hunan University, Changsha 410082 (China); Key Laboratory of Environment Biology and Pollution Control, Hunan University, Ministry of Education, Changsha 410082 (China); Wu, Yan [College of Environment and Energy, South China University of Technology, Guangzhou 510006 (China); Zeng, Guangming [College of Environmental Science and Engineering, Hunan University, Changsha 410082 (China); Key Laboratory of Environment Biology and Pollution Control, Hunan University, Ministry of Education, Changsha 410082 (China); Chen, Xiaohong [School of Business, Central South University, Changsha 410083 (China); Leng, Lijian; Wu, Zhibin; Jiang, Longbo [College of Environmental Science and Engineering, Hunan University, Changsha 410082 (China); Key Laboratory of Environment Biology and Pollution Control, Hunan University, Ministry of Education, Changsha 410082 (China); Li, Hui [Institute of Bio-energy, Hunan Academy of Forestry, Changsha 410004 (China)

    2015-04-09

    Highlights: • NH{sub 2} functionalized MIL-125(Ti) was fabricated by a facile solvothermal method. • The photocatalyst could reduce Cr(VI)–Cr(III) under visible light irradiation. • The Ti{sup 3+}–Ti{sup 4+} intervalence electron transfer is important for Cr(VI) reduction. • Used NH{sub 2}-MIL-125(Ti) can be recycled for the photocatalytic reduction. - Abstract: Porous metal-organic frameworks (MOFs) have been arousing a great interest in exploring the application of MOFs as photocatalyst in environment remediation. In this work, two different MOFs, Ti-benzenedicarboxylate (MIL-125(Ti)) and amino-functionalized Ti-benzenedicarboxylate (NH{sub 2}-MIL-125(Ti)) were successfully synthesized via a facile solvothermal method. The MIL-125(Ti) and NH{sub 2}-MIL-125(Ti) were well characterized by XRD, SEM, XPS, N{sub 2} adsorption–desorption measurements, thermogravimetric analysis and UV–vis diffuse reflectance spectra (DRS). It is revealed that the NH{sub 2}-MIL-125(Ti) has well crystalline lattice, large surface area and mesoporous structure, chemical and thermal stability, and enhanced visible-light absorption up to 520 nm, which was associated with the chromophore (amino group) in the organic linker. Compared with MIL-125(Ti), NH{sub 2}-MIL-125(Ti) exhibited more efficient photocatalytic activity for Cr(VI) reduction from aqueous solution under visible-light irradiation. The addition of hole scavenger, the hole scavenger concentration and the pH value of the reaction solution played important roles in the photo-catalytic reduction of Cr(VI). The presence of Ti{sup 3+}–Ti{sup 4+} intervalence electron transfer was the main reason for photo-excited electrons transportation from titanium-oxo clusters to Cr(VI), facilitating the Cr(VI) reduction under the acid condition. It was demonstrated that amino-functionalized Ti(IV)-based MOFs could be promising visible-light photocatalysts for the treatment of Cr(VI)-contained wastewater.

  16. Chemical composition of the oviposition secretion by female adult of Paraleyrodes pseudonaranjae Martin ( Homoptera: Aleyrodidae)%双钩巢粉虱产卵分泌物的化学成分

    Institute of Scientific and Technical Information of China (English)

    丁茜; 吴伟坚; 符悦冠

    2011-01-01

    双钩巢粉虱Paraleyrodes pseudonaranjae Martin原产于南美洲,现已分布于美国的佛罗里达、夏威夷和中国的香港、广东、广西、海南等地.这种粉虱的产卵方式与螺旋粉虱Aleurodicus disperses Russell等相似,卵粒以白色的分泌物覆盖.本文采用气相色谱/质谱联用技术研究了双钩巢粉虱产卵分泌物的化学成分.以甲酯化和未甲酯化两种处理方法测定表明,该粉虱产卵蜡泌物主要由一系列烃类、酯类及脂肪酸构成,同时还含有少量的酮类、酚类及醇类.主要成分是1,2 -苯二羧酸二异辛酯、15-甲基-十六酸、邻苯二羧酸单(2-乙基己基)酯、3,8-二甲基十一烷、1-乙酰基-1,2-环氧戊烷等.还将该虫产卵分泌物的化学成分与螺旋粉虱作了对比,讨论了产卵蜡泌物在分类及防治中的意义.%Paraleyrodes pseudonaranjae Martin is native to South America, at present, the pest has been distributed in Florida, Haiwaii, Hong Kong, Guangdong, Cuangxi and Hainan. The oviposition way of this insect is similar to Aleurodicus disperses Russell, egg covered with white wax secretion. The chemical composition of the oviposition secretion by female dult of P. Pseudonaranjae was studied with the techniques of GC - MS. Through esterification and unesterification, it is found that the waxes are composed of a series of hydrocarbons, esters and fatty acids, together with several other ketone, phenol and alcohol. The main components were 1,2- Benzenedicarboxylic acid, diisooctyl ester, 15 - methyl - exadecano-ic acid, 1, 2 - Benzenedicarboxylic acid, mono (2 - ethylhexyl) ester, 3, 8-dimethyl-Undecane, 1 - acetyl -1,2- epoxy - Cyclopentane. The oviposition secretion composition of this insect was compared with that of A. Disperses Russell. The significances of the wax secretion for the classification and control are discussed.

  17. Determination of organic compounds in landfill leachates treated by Fenton-Adsorption.

    Science.gov (United States)

    Ramírez-Sosa, Dorian R; Castillo-Borges, Elba R; Méndez-Novelo, Roger I; Sauri-Riancho, María R; Barceló-Quintal, Manuel; Marrufo-Gómez, José M

    2013-02-01

    The objective of this study was to identify the organic compounds removed from the leachate when treated with Fenton-Adsorption by gas chromatography coupled to mass spectrometry (GC-MS) in order to identify toxic compounds that could be harmful for the environment or human health. The physicochemical characterization of the raw leachate was carried out before and after the Fenton-Adsorption process. The effluent from each stage of this process was characterized: pH, Biological Oxygen Demand (BOD(5)), Chemical Oxygen Demand (COD), Total Organic Carbon (TOC), Total Carbon (TC), Inorganic Carbon (IC), Total Solids (TS), Total Suspended Solids (TSS) and Color. The organic compounds were determined by GC-MS. The removal of COD and color reached over 99% in compliance with the Mexican Standard NOM-001-SEMARNAT-1996, which establishes the maximum permissible limits for contaminants present in wastewater discharges to water and national goods. The chromatographic analysis from the Fenton-Adsorption effluent proved that this treatment removed more than 98% of the organic compounds present in the initial sample. The mono (2-ethylhexyl) ester 1,2-benzenedicarboxylic acid persisted, although it is not considered as toxic compound by the NOM-052-SEMARNAT-2005. Therefore, the treated effluent can be safely disposed of into the environment.

  18. Hydrogen Bond Networks of Three Cobalt Coordination Polymers Based on Bis(triazole) and Benzenebiscarboxylate Isomers%Hydrogen Bond Networks of Three Cobalt Coordination Polymers Based on Bis(triazole) and Benzenebiscarboxylate Isomers

    Institute of Scientific and Technical Information of China (English)

    钱新; 王菊; 崔艳锋; 李宝龙; 李海燕

    2011-01-01

    Three hydrogen bond networks of cobalt(II) coordination polymers { [Co(btp)2(H2O)2]·2(l,2-Hbdc)·2H2O}n (1), { [Co(btp) (1,3 -bdc)(H2O)]·1.5H2O } n (2) and { [Co(btp)2(H2O)2]·(1,4-bdc) } n (3) were synthesized by 1,3 -bis(1,2,4- triazol- 1-yl)propane (btp) and benzenedicarboxylate position isomers. Complex 1 is comprised of [Co(btp)z(H20)]2n+ 1D cation chains, 1,2-Hbdc anions and lattice water molecules. The structure of 2 is an undulated 2D (4,4) network. Two adjacent networks interpenetrate each other to form a new 2D double-layers network which is sustained by the hydrogen bond interactions in 2. Complex 3 is comprised of [Co(btp)z(H20)]n2n+ 1D cation chains and 1,4-bdc2 anions. These [Co(btp)2(H2O)]n^2+ 1D cations and 1,2-Hbdc-/1,4-bdc2- anions form 2D hydrogen bond networks in 1 and 3. The thermal stabilities of 1, 2 and 3 were investigated.

  19. Detection of intermediates in the TiO2-assisted photodegradation of Rhodamine B under visible light irradiation

    Institute of Scientific and Technical Information of China (English)

    LI Jing-yi; MA Wan-hong; LEI Peng-xiang; ZHAO Jin-cai

    2007-01-01

    The photocatalytic degradation of dye Rhodamine B (RhB) in the presence of TiO2 nanostripe or P25 under visible light irradiation was investigated. The degradation intermediates were identified using Infrared spectra (IR spectra), 1H nuclear magnetic resonance (1HNMR) spectra, and gas chromatography-mass spectroscopy (GC-MS). The IR and the 1HNMR results showed that the large conjugated chromophore structure of RhB was efficiently destroyed under visible light irradiation in both the photocatalytic systems (TiO2 nanostripe or P25 and Rhodamine B systems). GC-MS results showed that the main identified intermediates are ethanediotic acid, 1,2-benzenedicarboxylic acid, 4-hydroxy benzoic acid and benzoic acid, which are almost the same in the TiO2 nanostripes and P25 systems. This work provides a good insight into the reaction pathway(s) for the TiO2-assisted photocatalytic degradation of dye pollutants under visible light irradiation.

  20. Chemical Composition and Antimicrobial Potential of Palm Leaf Extracts from Babaçu (Attalea speciosa), Buriti (Mauritia flexuosa), and Macaúba (Acrocomia aculeata).

    Science.gov (United States)

    de Oliveira, Adriana Idalina Torcato; Mahmoud, Talal Suleiman; do Nascimento, Guilherme Nobre L; da Silva, Juliana Fonseca Moreira; Pimenta, Raphael Sanzio; de Morais, Paula Benevides

    2016-01-01

    Babaçu (A. speciosa), Buriti (M. flexuosa), and Macaúba (A. aculeata) are palm trees typical of the ecotone area between Cerrado and the Amazon rainforest. The purpose of this study was to evaluate the antimicrobial potential of the extracts prepared from the leaves of those palms as well as determine their chemical compositions. The ethanol extracts were prepared in a Soxhlet apparatus and tested by disk diffusion and agar dilution technique against Staphylococcus aureus, Enterococcus faecalis, Escherichia coli, Pseudomonas aeruginosa, Candida albicans, and Candida parapsilosis. However, there was no significant activity at concentrations of 25, 50, and 100 mg·Ml(-1). Moreover, the phytochemical analysis revealed the presence of tannins, flavonoids, catechins, steroids, triterpenes, and saponins. Gas chromatography (GC/MS) analysis also identified organic acids, such as capric (decanoic) acid, lauric (dodecanoic) acid, myristic (tetradecanoic) acid, phthalic (1,2-benzenedicarboxylic) acid, palmitic (hexadecanoic) acid, stearic (octadecanoic) acid, linoleic (9,12-octadecadienoic) acid (omega-6), linolenic (octadecatrienoic) acid (omega-3), and the terpenes citronellol and phytol. Based on the chemical composition in the palm leaf extracts, the palms have the potential to be useful in the food, cosmetic, and pharmaceutical industries.

  1. Identification of new phytoconstituents and antimicrobial activity in stem bark of Mangifera indica (L.).

    Science.gov (United States)

    Singh, Ruchi; Singh, S K; Maharia, R S; Garg, A N

    2015-02-01

    Mangifera indica, commonly called mango or amra belonging to a family of Anacardiaceae, is an important medicinal plant widely used in a variety of Ayurvedic preparations. Extract of its bark, leaves, flowers and kernels are being extensively used for curing various chronic diseases. Mango wood is used in yagya as base fire through which medicated smoke is generated. Three new compounds have been isolated from methanolic and hexane extracts of stem bark: 1,2-benzenedicarboxylic acid, mono(2-ethylhexyl)ester and 9,12-tetradecadiene-1-ol-acetate from the hexane extract and 3-chloro-N-(2-phenylethyl) propanamide from the methanolic extract. These were first separated by thin layer chromatography and later in a silica gel column and identified by characteristic infrared bands corresponding to respective functional groups. The compounds were further confirmed on the basis of GC-MS fragmentation pattern after comparing the data with NIST mass spectral database. All three compounds exhibited antimicrobial activity due to triterpenoids and flavonoids. Elemental analyses by INAA show it to be enriched in essential nutrient elements such as Ca, Fe, K, Mn and Zn which all play an important role in enzymatic processes.

  2. Nanometrization of Lanthanide-Based Coordination Polymers.

    Science.gov (United States)

    Neaime, Chrystelle; Daiguebonne, Carole; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Grasset, Fabien; Cordier, Stéphane; Guillou, Olivier

    2015-11-23

    Heteronuclear lanthanide-based coordination polymers are microcrystalline powders, the luminescence properties of which can be precisely tuned by judicious choice of the rare-earth ions. In this study, we demonstrate that such materials can also be obtained as stable solutions of nanoparticles in non-toxic polyols. Bulk powders of the formula [Ln2-2x Ln'2x (bdc)3 ⋅4 H2 O]∞ (where H2 bdc denotes 1,4-benzene-dicarboxylic acid, 0≤x≤1, and Ln and Ln' denote lanthanide ions of the series La to Tm plus Y) afford nanoparticles that have been characterized by dynamic light-scattering (DLS) and transmission electron microscopy (TEM) measurements. Their luminescence properties are similar to those of the bulk materials. Stabilities versus time and versus dilution with another solvent have been studied. This study has revealed that it is possible to tune the size of the nanoparticles. This process offers a reliable means of synthesizing suspensions of nanoparticles with tunable luminescence properties and tunable size distributions in a green solvent (glycerol). The process is also extendable to other coordination polymers and other solvents (ethylene glycol, for example). It constitutes a new route for the facile solubilization of lanthanide-based coordination polymers.

  3. Pyrolysis of Polytrimethylene Terephthalate (PTT) Fiber by Pyrolysis Gas Chromatography-Mass Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    QIAN He-sheng

    2007-01-01

    Pyrolysis of polytrimethylene terephthalate (PTT) fiber has been investigated by pyrolysis gas chromatography-mass spectroscopy in the temperature range from 400℃ to 750℃ in order to observe the possible effect of the temperature on its composition of pyrolysates. At 400℃, pyrolysis of molecular chain could occur, only 13 pyrolysates could be identified. The trimethylene moieties bound to the macromolecular core by ester bonds are cleaved at around 400℃. At 550℃ -750℃, pyrolysis of molecular chain could completely take place, 46 pyrolysates could be found. As the temperature increases, the compositions of pyrolysate are distinctly increased. Several compounds, especially benzoic acid, monopropenyl-p-phthalate, 2 - propenyl benzoate, di - 2 - propenyl ester, 1,4 -benzenedicarboxylic acid, benzene, 1, 5 - hexadiene, biphenyl and 1, 3 - propanediol dibenzoate could be formed. The thermal degradation mechanism, which is determined by structure and amount of the thermal decomposition products, are described. During pyrolysis of polytrimethylene terephthalate, polymeric chain scissions take place a peeling reaction as a successive removal of the dimer units from the polymeric chain. The chain scissions are followed by the elimination reaction, linkage action and secondary reactions, which bring about a variety fragment.

  4. Rational Design of Coordination Polymers with Flexible Oxyethylene Side Chains

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Eun Young; Gao, Chunji; Lee, Suck Hyun; Kwon, O Pil [Ajou University, Suwon (Korea, Republic of)

    2012-04-15

    We rationally designed and synthesized metallopolymers with organic 1,4-benzenedicarboxylic acid (BDC) linkers with different lengths of oxyethylene side chains in order to examine the influence of side chains on the coordination characteristics. While in a previous report the BDC linkers with alkyl side chains were found to form three-dimensional (3D) isoreticular metal-organic framework (IRMOF) structures or one-dimensional (1D) coordination polymeric structures with short -O(CH{sub 2}){sub 6}CH{sub 3} or long -O(CH{sub 2}){sub 9}CH{sub 3} side chains, respectively, new BDC linkers with oxyethylene side chains of the same lengths, -(OCH{sub 2}CH{sub 2}){sub 2}CH{sub 3} and -(OCH{sub 2}CH{sub 2}){sub 3}CH{sub 3}, form only 3D IRMOF structures. This result is attributed to the higher flexibility and smaller volume of oxyethylene side chains compared to alkyl side chains

  5. Syntheses, structures and photoelectric properties of a series of Cd(II)/Zn(II) coordination polymers and coordination supramolecules

    Science.gov (United States)

    Jin, Jing; Han, Xiao; Meng, Qin; Li, Dan; Chi, Yu-Xian; Niu, Shu-Yun

    2013-01-01

    Five Cd(II)/Zn(II) complexes [Cd(1,2-bdc)(pz)2(H2O)]n (1), [Cd1Cd2(btec)(H2O)6]n (2), [Cd(3,4-pdc) (H2O)]n (3), [Zn(2,5-pdc)(H2O)4]·2H2O (4) and {[Zn(2,5-pdc)(H2O)2]·H2O}n (5) (H2bdc=1,2-benzenedicarboxylic acid, pz=pyrazole, H4btec=1,2,4,5-benzenetetracarboxylic acid, H2pdc=pyridine-dicarboxylic acid) were hydrothermally synthesized and characterized by single-crystal X-ray diffraction, surface photovoltage spectroscopy, XRD, TG analysis, IR and UV-vis spectra and elemental analysis. Structural analyses show that complexes 1-3 are 1D, 2D and 3D Cd(II) coordination polymers, respectively. Complex 4 is a mononuclear Zn(II) complex. Complex 5 is a 3D Zn(II) coordination polymer. The surface photoelectric properties of complexes were investigated by SPS. The results indicate that all complexes exhibit photoelectric responses in the range of 300-600 nm, which reveals that they all possess certain photoelectric conversion properties. By the comparative analyses, it can be found that the species and coordination micro-environment of central metal ion, the species and property of ligands affect the intensity and scope of photoelectric response.

  6. A family of porous lonsdaleite-e networks obtained through pillaring of decorated kagomé lattice sheets

    KAUST Repository

    Schoedel, Alexander

    2013-09-25

    A new and versatile class of metal-organic materials (MOMs) with augmented lonsdaleite-e (lon-e-a) topology is presented herein. This family of lon-e nets are built by pillaring of hexagonal two-dimensional kagomé (kag) lattices constructed from well-known [Zn2(CO2R)4] paddlewheel molecular building blocks (MBBs) connected by 1,3- benzenedicarboxylate (bdc2-) linkers. The pillars are [Cr 3(μ3-O)(RCO2)]6 trigonal prismatic primary MBBs decorated by six pyridyl moieties (tp-PMBB-1). The three-fold symmetry (D3h) of tp-PMBB-1 is complementary with the alternating orientation of the axial sites of the paddlewheel MBBs and enables triple cross-linking of the kag layers by each pillar. These MOMs represent the first examples of axial-to-axial pillared undulating kag layers, and they are readily fine-tuned because the bdc2- moieties can be varied at their 5-position without changing the overall structure. This lon-e platform possesses functionalized hexagonal channels since the kag lattices are necessarily eclipsed. The effects of the substituent at the 5-positions of the bdc 2- linkers upon gas adsorption, particularly the heats of adsorption of carbon dioxide and methane, were studied. © 2013 American Chemical Society.

  7. Carboxylate ligands induced structural diversity of zinc(II) coordination polymers based on 3,6-bis(imidazol-1-yl)carbazole: Syntheses, structures and photocatalytic properties

    Science.gov (United States)

    Cheng, Hong-Jian; Tang, Hui-Xiang; Shen, Ya-Li; Xia, Nan-Nan; Yin, Wen-Yu; Zhu, Wei; Tang, Xiao-Yan; Ma, Yun-Sheng; Yuan, Rong-Xin

    2015-12-01

    Solvothermal reactions of Zn(NO3)2·6H2O with 3,6-bis(1-imidazolyl)carbazole (3,6-bmcz) and 1,4-benzenedicarboxylic acid (1,4-H2bdc), p-phenylenediacetic acid (p-H2pda), benzophenone-4,4-dicarboxylic acid (H2bpda) afforded three coordination polymers [Zn(1,4-bdc)(3,6-bmcz)]n (1), {[Zn(p-pda)(3,6-bmcz)]·1.5H2O}n (2) and {[Zn(bpda)(3,6-bmcz)]·0.25H2O}n (3). Complexes 1-3 were characterized by elemental analysis, IR, powder X-ray diffraction, and single-crystal X-ray diffraction. Complex 1 shows 3D structure with 2D nets inclined polycatenation. Complexes 2 and 3 possess an extended 3D supramolecular architecture based on their respective 2D layers through hydrogen-bonding interactions and the π···π stacking interactions. The solid state luminescent and optical properties of 1-3 at ambient temperature were also investigated. A comparative study on their photocatalytic activity toward the degradation of methylene blue in polluted water was explored.

  8. Isolation and Characterization of Antidermatophytic Bioactive Molecules from Piper longum L. Leaves.

    Science.gov (United States)

    Das, Jayshree; Jha, D K; Policegoudra, R S; Mazumder, Afjal Hussain; Das, Mrinmoy; Chattopadhyay, P; Singh, L

    2012-12-01

    Piper longum L. (Piperaceae) commonly known as "long pepper" is a well known medicinal plant in ayurveda. Different parts of this plant, such as root, seed, fruit, whole plant etc. are used traditionally in various ailments. Here we have investigated the antidermatophytic activity of sequentially extracted petroleum ether, chloroform, methanol and water extracts from P. longum leaf against Trichophyton mentagrophytes, T. rubrum, T. tonsurans, Microsporum fulvum and M. gypseum. Better activity of chloroform and methanol extracts was observed. The chloroform extract was selected for further study and the MIC value was recorded as 5.0 mg ml(-1) against the test organisms. In the chloroform extract, tannins and phenolic compounds were detected. Further activity-guided fractionation of chloroform extract by silica gel column chromatography yielded nine major fractions. Among these, fraction-1, 4, 5 and 7 showed higher antidermatophytic activity. Fraction-4 on further purification by repeated column chromatography yielded a potential antidermatophytic fraction showing MIC value of 0.625 mg ml(-1) against T. mentagrophytes and T. rubrum as determined by broth microdilution method. The major compounds were identified as 1,2-benzenedicarboxylic acid, bis(2-ethylhexyl) ester (C24H38O4] (41.45 %), 2,2-dimethoxybutane (C6H14O2] (13.6 %) and β-myrcene (C10H16) (6.75 %) based on GC-MS data.

  9. Phytochemical Profile of Erythrina variegata by Using High-Performance Liquid Chromatography and Gas Chromatography-Mass Spectroscopy Analyses.

    Science.gov (United States)

    Muthukrishnan, Suriyavathana; Palanisamy, Subha; Subramanian, Senthilkumar; Selvaraj, Sumathi; Mari, Kavitha Rani; Kuppulingam, Ramalingam

    2016-08-01

    Natural products derived from plant sources have been utilized to treat patients with numerous diseases. The phytochemical constituents present in ethanolic leaf extract of Erythrina variegata (ELEV) were identified by using high-performance liquid chromatography (HPLC) and gas chromatography-mass spectroscopy (GC-MS) analyses. Shade dried leaves were powdered and extracted with ethanol for analyses through HPLC to identify selected flavonoids and through GC-MS to identify other molecules. The HPLC analysis of ELEV showed the presence of gallic and caffeic acids as the major components at concentrations of 2.0 ppm and 0.1 ppm, respectively, as well as other components. GC-MS analysis revealed the presence of 3-eicosyne; 3,7,11,15-tetramethyl-2-hexadecen-1-ol; butanoic acid, 3-methyl-3,7-dimethyl-6-octenyl ester; phytol; 1,2-benzenedicarboxylic acid, diundecyl ester; 1-octanol, 2-butyl-; squalene; and 2H-pyran, 2-(7-heptadecynyloxy) tetrahydro-derivative. Because pharmacopuncture is a new evolving natural mode that uses herbal extracts for treating patients with various ailments with minimum pain and maximum effect, the results of this study are particularly important and show that ELEV possesses a wide range of phytochemical constituents, as indicated above, as effective active principle molecules that can be used individually or in combination to treat patients with various diseases.

  10. Phytochemical Profile of Erythrina variegata by Using High-Performance Liquid Chromatography and Gas Chromatography-Mass Spectroscopy Analyses

    Directory of Open Access Journals (Sweden)

    Suriyavathana Muthukrishnan

    2016-08-01

    Full Text Available Natural products derived from plant sources have been utilized to treat patients with numerous diseases. The phytochemical constituents present in ethanolic leaf extract of Erythrina variegata (ELEV were identified by using high-performance liquid chromatography (HPLC and gas chromatography-mass spectroscopy (GC-MS analyses. Shade dried leaves were powdered and extracted with ethanol for analyses through HPLC to identify selected flavonoids and through GC-MS to identify other molecules. The HPLC analysis of ELEV showed the presence of gallic and caffeic acids as the major components at concentrations of 2.0 ppm and 0.1 ppm, respectively, as well as other components. GC-MS analysis revealed the presence of 3-eicosyne; 3,7,11,15-tetramethyl-2-hexadecen-1-ol; butanoic acid, 3-methyl-3,7-dimethyl-6-octenyl ester; phytol; 1,2-benzenedicarboxylic acid, diundecyl ester; 1-octanol, 2-butyl-; squalene; and 2H-pyran, 2-(7-heptadecynyloxy tetrahydro-derivative. Because pharmacopuncture is a new evolving natural mode that uses herbal extracts for treating patients with various ailments with minimum pain and maximum effect, the results of this study are particularly important and show that ELEV possesses a wide range of phytochemical constituents, as indicated above, as effective active principle molecules that can be used individually or in combination to treat patients with various diseases.

  11. Synthesis and Characterization of Nanosized Uranyl Coordination Polymers derived from Terephthalic acid and Azoles

    Directory of Open Access Journals (Sweden)

    Maged S.Al-Fakeh

    2016-05-01

    Full Text Available The structure of the complexes [UO2(TPA(Azole(H2O].xH2O, TPA = 1,4-benzenedicarboxylic acid and azoles = 2-aminobenzothiazole, 2-aminothiazole, 2-amino-4-methylthiazole and 2-mercaptobenzothiazole has been prepared and characterized. The structure of the complexes has been assigned based on elemental analysis, IR, electronic spectral studies, magnetic measurement, molar conductance, Scanning electron microscope (S.E.M, X-ray powder diffraction techniques investigations and thermogravimetric analysis complete the characterization of the compound. Thermogravimetry(TG, derivative thermogravimetry (DTG and differential thermal analysis (DTA have been used to study the thermal decomposition of the complexes. The kinetic parameters have been calculated making use of the Coats-Redfern and Horowitz-Metzger. The scanning electron microscope SEM photographs and particle size calculations from the powder XRD data indicate the average size of the prepared UO2(II (28-56 nm supramolecular coordination polymers in the nanoscale range. The biological screening of the compounds was also tested.

  12. Chemical Composition and Antimicrobial Potential of Palm Leaf Extracts from Babaçu (Attalea speciosa, Buriti (Mauritia flexuosa, and Macaúba (Acrocomia aculeata

    Directory of Open Access Journals (Sweden)

    Adriana Idalina Torcato de Oliveira

    2016-01-01

    Full Text Available Babaçu (A. speciosa, Buriti (M. flexuosa, and Macaúba (A. aculeata are palm trees typical of the ecotone area between Cerrado and the Amazon rainforest. The purpose of this study was to evaluate the antimicrobial potential of the extracts prepared from the leaves of those palms as well as determine their chemical compositions. The ethanol extracts were prepared in a Soxhlet apparatus and tested by disk diffusion and agar dilution technique against Staphylococcus aureus, Enterococcus faecalis, Escherichia coli, Pseudomonas aeruginosa, Candida albicans, and Candida parapsilosis. However, there was no significant activity at concentrations of 25, 50, and 100 mg·Ml−1. Moreover, the phytochemical analysis revealed the presence of tannins, flavonoids, catechins, steroids, triterpenes, and saponins. Gas chromatography (GC/MS analysis also identified organic acids, such as capric (decanoic acid, lauric (dodecanoic acid, myristic (tetradecanoic acid, phthalic (1,2-benzenedicarboxylic acid, palmitic (hexadecanoic acid, stearic (octadecanoic acid, linoleic (9,12-octadecadienoic acid (omega-6, linolenic (octadecatrienoic acid (omega-3, and the terpenes citronellol and phytol. Based on the chemical composition in the palm leaf extracts, the palms have the potential to be useful in the food, cosmetic, and pharmaceutical industries.

  13. Crystal Structure and Luminescence Spectra of Novel Coordination Layer of {[Eu(m-BDC)(NO3)(Phen)(H2O)]2·2CH3CH2OH}n

    Institute of Scientific and Technical Information of China (English)

    Wang Mingzhao; Xia Jiangbin; Cai Guanliang; Lu Shaozhe

    2005-01-01

    The crystal structure of a novel Eu3+ coordination polymer, {[Eu(m-BDC)(NO3)(Phen)(H2O)]2 · 2CH3CH2OH}n (m-BDC=1,3-benzenedicarboxylate, Phen=1, 10-phenanthroline), was obtained and its high-resolution luminescence spectra at 77K were measured. The μ2-carboxylate of m-BDC constructs the binuclear building block in which each Eu3+ ion is coordinated by four oxygen atoms of m-BDC anions, one oxygen atom from water molecule, two oxygen atoms of nitrate and two nitrogen atoms of Phen, respectively. The μ1-carboxylate of m-BDC conjugates the binuclear units one-dimensional chain or a ribbon, while the hydrogen bonds between ribbons assemble the structure two-dimensional layer with a thickness equaling to the width of the ribbon. The luminescence spectra reveal that the two Eu3+ ion sites in the binuclear building blocks have slight environmental difference. The C1 local symmetry of Eu3+ ion is concluded from both crystal structure measurement and luminescence spectra.

  14. Synthesis,Structure and Photoluminescent Property of a Cd-organic Complex [Cd(L)_2(pbda)]_n

    Institute of Scientific and Technical Information of China (English)

    CHEN Shui-Sheng; YANG Sen-Lin; ZHANG Shu-Ping

    2011-01-01

    A new complex,[Cd(L)2(pbda)]n(1,L = 3-(2-pyridyl)-4-(p-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazole,H2pbda = 1,4-benzenedicarboxylic acid),has been hydrothermally prepared and characterized by single-crystal X-ray diffraction,IR spectroscopy,elemental analysis and PXRD.The complex crystallizes in monoclinic,space group P21/c with a = 8.2929(9),b = 21.668(2),c = 10.9940(11) ,β = 90.242(2)o,V = 1975.5(4) 3,Z = 2,C44H32N8O6S2Cd,Mr = 945.30,Dc = 1.589 g/cm3,μ = 0.721 mm-1,S = 1.097,F(000) = 960,the final R = 0.0590 and wR = 0.1045 for 3846 observed reflections(I 2σ(I)).In the title complex,the rigid bridging pbda2-ligands utilize oxygen atoms of carboxylate groups to coordinate with Cd(II) atoms to form one-dimensional chains which are further interlinked into a three-dimension framework via the intermolecular weak interactions.Photoluminescence study revealed that complex 1 exhibits strong fluorescent emission band in the solid state at room temperature.

  15. Phytochemical and biological studies of Agave attenuata.

    Science.gov (United States)

    Rizwan, Komal; Zubair, Muhammad; Rasool, Nasir; Riaz, Muhammad; Zia-Ul-Haq, Muhammad; de Feo, Vincenzo

    2012-01-01

    The present study was conducted to examine various biological activities of a methanol extract of Agave attenuata leaves. GC-MS analysis of the n-hexane fraction from the extract revealed the presence of 31 compounds, with mono-2-ethylhexyl phthalate (11.37%), 1,2-benzenedicarboxylic acid (6.33%), n-docosane (6.30%) and eicosane (6.02%) as the major components. The leaves contained appreciable levels of total phenolic contents (10.541-39.35 GAE, mg/100 g) and total flavonoid contents (43.35-304.8 CE, mg/100 g). The extract and some of its fractions showed moderate antimicrobial effects. Leaves extract and fractions also exhibited a good antioxidant potential when measured by DPPH radical scavenging activity and inhibition of lipid peroxidation assays. The hemolytic effect of the plant was found to be in a range of 1.01%-2.64%. From the present study it is concluded that this plant could be used as a source of natural antioxidants and functional food nutraceutical applications.

  16. [Monograph on di-2-propylheptyl phthalate (DPHP) - human biomonitoring (HBM) values for the sum of metabolites oxo-mono-propylheptyl phthalate (oxo-MPHP) and hydroxy-mono-propylheptyl phthalate (OH MPHP) in adult and child urine. Opinion of the Commission "Human Biomonitoring" of the Federal Environment Agency, Germany].

    Science.gov (United States)

    2015-07-01

    1,2-benzenedicarboxylic acid, bis(2-propylheptyl)ester (bis(2-propylheptyl)phthalate, DPHP) is used as plasticizer for the manufacture of plastics, i.e. mainly polyvinylchloride (PVC). A subchronic feeding study with rats revealed a NOAEL (no observed adverse effect level) of 40 mg/(kg bw · d), which can be used as a point of departure (POD) for the derivation of an HBM-I value. Application of a total assessment factor of 200 leads to an estimation of 200 µg/kg bw as a tolerable daily intake of DPHP. On the basis of the results of metabolism studies with humans it is possible to calculate from the tolerable daily intake of DPHP to the tolerable concentration of specific metabolites in urine. Thus an HBM-I value of 1 mg/L morning urine for children and 1.5 mg/L morning urine for adults was derived for the sum of the oxidized monoesters oxo-MPHP and OH-MPHP, which were identified as robust and conclusive biomarkers for DPHP.

  17. Introduction of fluorin into PBO polymer chains:Toward higher thermal stability and lower dielectric constant

    Institute of Scientific and Technical Information of China (English)

    ZHANG Tao; HU DaYong; JIN JunHong; YANG ShengLin; LI Guang; JIANG JianMing

    2009-01-01

    A series of novel fluorinated benzoxazole polymers (6FPBO's) with high thermal stability and low di-electric constant were synthesized by copolymerization of 1,3-diamino-4, 6-dihydroxybenzene dihy-drochloride (DAR), 1,4-benzenedicarboxylic acid (PTA) and various amount of 4'4- (hexafluoroisopro-pylidene) bis (benzoic acid) (BIS-B-AF) in the medium of polyphosphoric acid (PPA). 6FPBO fibers were then obtained via dry-jet wet-spinning technique and characterized by means of Fourier transform in-flared (FTIR) spectra, thermogravimetric analysis (TGA), single fiber tensile testing machine and scan-ning electron microscopy (SEe). FTIR spectrum of 6FPBO fibers indicated that the fluorine groups had been incorporated into PBO molecular chains successfully. TGA curves revealed that 6FPBO fibers possessed high thermal stability just as pure PBO fibers. Moreover, dielectric constant spectrum of 6FPBO exhibited that the polymers had low dielectric constant, especially in the range of high-fre-quency.

  18. First-principles study of the organometallic S =1/2 kagome compound Cu(1,3-bdc)

    Science.gov (United States)

    Liu, Zheng; Mei, Jia-Wei; Liu, Feng

    2015-10-01

    Cu(1,3-benzenedicarboxylate) [Cu(1,3-bdc)] contains structurally perfect kagome planes formed by Cu2 + ions without the presence of diamagnetic defects. This organometallic compound should serve as a precious platform to explore quantum frustrated magnetism, yet the experimental results so far are mysterious, leading to questions such as, "Is Cu(1,3-bdc) just a trivial weak ferromagnet?" Using the density functional theory, we have systematically studied the electronic and magnetic properties of Cu(1,3-bdc), putting forth a theoretical basis to clarify this novel material. We present numerical evidence of a dominating antiferromagnetic (AFM) exchange between nearest-neighbor (NN) Cu2 + as experimentally extracted from the high-temperature susceptibility data. We further show that beyond the NN AFM exchange, the additional interactions in Cu(1,3-bdc) have similar strength as those in the well-studied kagome antiferromagnet, herbertsmithite, by designing a comparative study. In the end, we discuss our understanding of the phase transition and FM signals observed under low temperature.

  19. Hydro(solvo)thermal Construction of a Copper Coordination Polymer Involving in Situ Ligand Synthesis: Preparation and Structure of [Cu3(bdcO)2(H2O)2]n

    Institute of Scientific and Technical Information of China (English)

    JIANG Ya-Qi; ZHOU Zhao-Hui; WEI Zan-Bin

    2005-01-01

    A hydro(solvo)thermal reaction of 1,3-benzenedicarboxylic acid (bdcH2) and CuSO4·5H2O produced a coordination polymer [Cu3(bdcO)2(H2O)2]n 1. The alkoxyl-1,3-benzene- dicarboxylate trianion (bdcO3-) found in the final product was in situ generated by the hydroxy- lation of bdcH2 during the synthesis. Its crystal structure has been determined by X-ray structural analysis. The complex belongs to a monoclinic system, space group P21/c with C16H10Cu3O12, Mr = 584.86, a = 5.0349(3), b = 10.422(1), c = 15.639(1) (A), β= 91.977(2)o, V = 820.1(1) (A)3, Z = 2, Dc = 2.368g/cm3, μ = 3.931 mm―1, λ(MoKα) = 0.71073 (A), F(000) = 578, the final R = 0.0328 and wR = 0.0742 for 1730 observed reflections with I≥2σ(I). The copper atoms show different coordination environments. Each bdcO group is binds to three copper atoms through oxygen atoms of carboxy- lates and deprononated hydroxy group in bridging and chelating fashions, affording a copper atom coordinated by two [Cu2(bdcO)2]2- 'matallo-ligand' to yield an extending zigzagged layer perpen- dicular to the c axis.

  20. Antibacterial metabolites secreted under glucose-limited environment of the mimicked proximal colon model by lactobacilli abundant in infant feces.

    Science.gov (United States)

    Kanjan, Pochanart; Hongpattarakere, Tipparat

    2016-09-01

    The most abundance of anti-Salmonella lactic acid bacteria (LAB) was found in feces of naturally born, exclusively breastfed Thai infants. Six strains of Lactobacillus plantarum and one strain of Lactobacillus paracasei were selected and identified. In the co-cultivation assay, L. plantarum subsp. plantarum I62 showed the strongest and broadest antibacterial activity against Escherichia coli, Shigella sonnei, Salmonella Paratyphi A, and Salmonella Typhimurium SA 2093 under the mimicked proximal colon condition, in which glucose and other nutrients were limited. According to GC-MS analysis, the major antibacterial contribution of organic acids secreted by L. plantarum I62 grown in the presence of glucose was dramatically reduced from 95.8 to 41.9 % under glucose-limited niche. The production of low-pK a acids, such as lactic, 1,2-benzenedicarboxylic, and 3-phenyllactic acids, was remarkably dropped. Surprisingly, higher-pK a acids such as 5-chlorobenzimidazole-2-carboxylic, pyroglutamic, palmitic, and oleic acids were enhanced. Moreover, cyclic dipeptides, ketones, alkanes, alcohols, and miscellaneous compounds, which were pH-independent antibacterial metabolites, became dominant. The electron microscopy strongly supported the synergistic attacks of the multiple antibacterial components targeting outer and cytoplasmic membranes leading to severe leakage and cell disruption of Salmonella Typhimurium. This strain poses to be a potential probiotic candidate for effectively controlling and treating human foodborne bacterial infection.

  1. Phthalic Acid Chemical Probes Synthesized for Protein-Protein Interaction Analysis

    Directory of Open Access Journals (Sweden)

    Chin-Jen Wu

    2013-06-01

    Full Text Available Plasticizers are additives that are used to increase the flexibility of plastic during manufacturing. However, in injection molding processes, plasticizers cannot be generated with monomers because they can peel off from the plastics into the surrounding environment, water, or food, or become attached to skin. Among the various plasticizers that are used, 1,2-benzenedicarboxylic acid (phthalic acid is a typical precursor to generate phthalates. In addition, phthalic acid is a metabolite of diethylhexyl phthalate (DEHP. According to Gene_Ontology gene/protein database, phthalates can cause genital diseases, cardiotoxicity, hepatotoxicity, nephrotoxicity, etc. In this study, a silanized linker (3-aminopropyl triethoxyslane, APTES was deposited on silicon dioxides (SiO2 particles and phthalate chemical probes were manufactured from phthalic acid and APTES–SiO2. These probes could be used for detecting proteins that targeted phthalic acid and for protein-protein interactions. The phthalic acid chemical probes we produced were incubated with epithelioid cell lysates of normal rat kidney (NRK-52E cells to detect the interactions between phthalic acid and NRK-52E extracted proteins. These chemical probes interacted with a number of chaperones such as protein disulfide-isomerase A6, heat shock proteins, and Serpin H1. Ingenuity Pathways Analysis (IPA software showed that these chemical probes were a practical technique for protein-protein interaction analysis.

  2. Anti-candidal activity of Astragalus verus in the in vitro and in vivo guinea pig models of cutaneous and systemic candidiasis

    Directory of Open Access Journals (Sweden)

    Ali Mikaeili

    2012-10-01

    Full Text Available This study was design to evaluate the anti-candidal activity of Astragalus verus Olivier, Fabaceae (Av. The GC/MS analysis of essential oils of Av showed that aqueous extract contains thymol while hexadecanoic acid, 1,2-benzenedicarboxylic acid, diisooctyl ester and phytol were found as major components of methanol and acetone extracts. The aqueous extract showed anti-candidal activity in the concentration 320 mg/mL using disc diffusion method and its minimum inhibitory concentration (MIC was 160 mg/mL. To induce cutaneous candidiasis, the dorsum of immunocompromised guinea pigs was infected with Candida albicans and animals were divided into five groups (n=5 for each: NC, received a vehicle; PC, received topical ketoconazole 2% and three other groups which received topical 10, 20 and 40% aqueous extract of Av. On ninth day postinfection, skins were cultured and colony forming unite per gram (CFU/g skin was recorded. Systemic candidiasis was obtained by intravenous inoculation of C. albicans, 4000 CFU/g body weight. Here, animals have been divided into five groups like cutaneous candidiasis but their medications have been delivered in drinking water for ten days before induction of infection. On second day postinfection, all internal tissues were taken for determining CFU/g tissue. The aqueous extract (40% prevented heavy burden of C. albicans in tissues and skin in oral and topical application, respectively. The results indicate that Av represents a potential source of anti-candidal drug.

  3. Confirming anthropogenic influences on the major organic and inorganic constituents of rainwater in an urban area

    Directory of Open Access Journals (Sweden)

    K. Chon

    2015-06-01

    Full Text Available The chemical composition and organic compounds of rainwater were investigated from June to December 2012 at Gwangju in Korea. The volume weighted mean of pH ranged from 3.83 to 8.90 with an average of 5.78. 50 % of rainwater samples had pH values below 5.6. The volume-weighted mean concentration (VWMC of major ions followed the order: Cl− > SO42− > NH4+ > Na+ > NO3− > Ca2+ > Mg2+ > K+. The VWMC of trace metals decreased in the order as follows Zn > Al > Fe > Mn > Pb > Cu > Ni > Cd > Cr. The VWMCs of major ions and trace metals were higher in winter than in summer. The high enrichment factors indicate that Zn, Pb, Cu, and Cd originated predominantly from anthropogenic sources. Factor analysis (principal component analysis indicates the influence of anthropogenic pollutants, sea salt, and crustal materials on the chemical compositions of rainwater. Benzoic acids, 1H-Isoindole-1,3(2H-dione, phthalic anhydride, benzene, acetic acids, 1,2-benzenedicarboxylic acids, benzonitrile, acetaldehyde, and acetamide were the most prominent pyrolysis fragments for rainwater organic compounds identified by pyrolysis gas chromatography/mass spectrometry (Py-GC/MS. The results indicate that anthropogenic sources are the most important factors affecting the organic composition of rainwater in urban area.

  4. Remarkable adsorptive removal of nitrogen-containing compounds from a model fuel by a graphene oxide/MIL-101 composite through a combined effect of improved porosity and hydrogen bonding.

    Science.gov (United States)

    Ahmed, Imteaz; Jhung, Sung Hwa

    2016-08-15

    A composite was prepared by combining a highly porous metal-organic framework (MOF), MIL-101 (Cr-benzenedicarboxylate), and graphene oxide (GnO). The porosity of the composite increased appreciably by the addition of GnO up to a specific amount in the MOF, though further increases in the quantity of GnO was detrimental to porosity. The improved porosity of the GnO/MIL-101 composite was utilized for adsorptive denitrogenation (ADN) of a model fuel where indole (IND) and quinoline (QUI) were used as nitrogen-containing compounds (NCCs). It was found that both IND and QUI showed improved adsorption on the composite compared with pristine MIL-101 or GnO due to the improved porosity of the composite. Interestingly, the improvement in adsorption of IND was much higher than the quantity estimated for the porosity. Importantly, GnO/MIL-101 showed the highest adsorption capacities for NCCs. Irrespective of the studied solvents and co-presence of IND and QUI, the composite adsorbent performed ADN most effectively. This remarkable improvement is explained by the additional mechanism of hydrogen bonding between the surface functional groups of GnO and the hydrogen attached to the nitrogen atom of IND. This hydrogen bonding mechanism is also supported by the results of the adsorption of pyrrole and methylpyrrole. On the other hand, QUI does not show hydrogen-bonding capability, and therefore, its enhanced adsorption originates from only the increased porosity of the adsorbents.

  5. Synthesis, structure and electrochemical behavior of a 3D crystalline copper(II) metal-organic framework

    Science.gov (United States)

    Bai, Hong-Ye; Fan, Wei-Qiang; Liu, Chun-Bo; Shi, Wei-Dong; Yan, Yong-Sheng

    2014-05-01

    Using an flexible amide-type tripodal ligand N,N‧,N″-tris(3-pyridyl)-1,3,5-benzenetricarboxamide (L) and 1,4-benzenedicarboxylic acid (H2bdc), a three-dimensional copper(II) metal-organic framework (MOF) formulated as [Cu(bdc)(L)]n has been hydrothermally synthesized and structurally characterized by IR, elemental, X-ray single-crystal diffraction and thermal analysis. The complex crystallizes in the triclinic, space group P - 1, a = 8.891(2) Å, b = 11.760(2) Å, c = 15.348(3) Å, α = 96.73(3)°, β = 105.96(3)°, γ = 106.47(3)°, V = 1446.2(5) Å3, Mr = 666.10, Dc = 1.530 g/cm3, Z = 2, F(000) = 682, GOOF = 1.0560, μ(MoKα) = 0.817 mm-1, R = 0.0366 and wR = 0.0885. The structural analyses reveal that the title compound consists of one Cu(II) atom, two halves of bdc, and one L ligand. Each Cu(II) atom is linked by two bdc ligands and three L ligands to form a three-dimensional network. In addition, the electrochemical behavior of title compound has been studied. CCDC No. 990526.

  6. Putting an ultrahigh concentration of amine groups into a metal-organic framework for CO2 capture at low pressures.

    Science.gov (United States)

    Liao, Pei-Qin; Chen, Xun-Wei; Liu, Si-Yang; Li, Xu-Yu; Xu, Yan-Tong; Tang, Minni; Rui, Zebao; Ji, Hongbing; Zhang, Jie-Peng; Chen, Xiao-Ming

    2016-10-19

    Tremendous efforts have been devoted to increasing the CO2 capture performance of porous materials, especially for low CO2 concentration environments. Here, we report that hydrazine can be used as a diamine short enough to functionalize the small-pore metal-organic framework [Mg2(dobdc)] (H4dobdc = 2,5-dihydroxyl-1,4-benzenedicarboxylic acid). By virtue of the ultrahigh concentration of free amine groups (6.01 mmol g(-1) or 7.08 mmol cm(-3)) capable of reversible carbamic acid formation, the new material [Mg2(dobdc)(N2H4)1.8] achieves a series of new records for CO2 capture, such as single-component isotherm uptakes of 3.89 mmol g(-1) or 4.58 mmol cm(-3) at the atmospheric CO2 concentration of 0.4 mbar at 298 K and 1.04 mmol g(-1) or 1.22 mmol cm(-3) at 328 K, as well as more than a 4.2 mmol g(-1) or 4.9 mmol cm(-3) adsorption/desorption working capacity under dynamic mixed-gas conditions with CO2 concentrations similar to those in flue gases and ambient air.

  7. [A new monoterpenoid glucoside from the twigs of Chamaecyparis obtusa var. breviramea f. crippsii].

    Science.gov (United States)

    Xu, Jian; Zhang, Yu-Mei; Chen, Ke-Li; Tan, Ning-Hua; Liu, Yi-Mei

    2012-09-01

    To investigate the chemical constituents of Chamaecyparis obtusa var. breviramea f. crippsii, various column chromatography and spectroscopic methods were used for the isolation and elucidation of compounds. One new monoterpenoid glucoside, (4S)-4-isopropylcyclohex-l-enecarboxylic acid 4-O-beta-D-glucopyranoside (1), together with five known compounds, (4R)-p-menth-l-ene-7, 8-diol 7-O-beta-D-glucopyranoside (2), skimmin (3), 7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2H-1-benzopyran-2-one (4), stigmast-4-en-3-one (5) and 1, 4-benzenedicarboxylic acid 1-butyl-4-(2-methylpropyl) ester (6) were isolated and identified from the twigs of this plant. All compounds were isolated from this plant for the first time. The methanol extract of this plant showed cytotoxicity on cancer cell lines A549, BGC-823, Du145 and MDA-MB-231 with IC50 values of 0.94, 1.07, 0.95 and 0.96 microg x mL(-1), respectively. Yet, compounds 1, 2 and 3 showed no cytotoxicity on cancer cell lines HeLa, BGC-823 and A549.

  8. (113)Cd Nuclear Magnetic Resonance as a Probe of Structural Dynamics in a Flexible Porous Framework Showing Selective O2/N2 and CO2/N2 Adsorption.

    Science.gov (United States)

    Haldar, Ritesh; Inukai, Munehiro; Horike, Satoshi; Uemura, Kazuhiro; Kitagawa, Susumu; Maji, Tapas Kumar

    2016-05-02

    Two new isomorphous three-dimensional porous coordination polymers, {[Cd(bpe)0.5(bdc)(H2O)]·EtOH}n (1) and {[Cd(bpe)0.5(bdc)(H2O)]·2H2O}n (2) [bpe = 1,2-bis(4-pyridyl)ethane, and H2bdc = 1,4-benzenedicarboxylic acid], have been synthesized by altering the solvent media. Both structures contain one-dimensional channels filled with metal-bound water and guest solvent molecules, and desolvated frameworks show significant changes in structure. However, exposure to the solvent vapors (water and methanol) reverts the structure back to the as-synthesized structure, and thus, the reversible flexible nature of the structure was elucidated. The flexibility and permanent porosity were further reinforced from the CO2 adsorption profiles (195 and 273 K) that show stepwise uptake. Moreover, a high selectivity for O2 over N2 at 77 K was realized. The framework exhibits interesting solvent vapor adsorption behavior with dynamic structural transformation depending upon the size, polarity, and coordination ability of the solvent molecules. Further investigation was conducted by solid state (113)Cd nuclear magnetic resonance (NMR) spectroscopy that unambiguously advocates the reversible transformation "pentagonal-bipyramidal CdO6N → octahedral CdO5N" geometry in the desolvated state. For the first time, (113)Cd NMR has been used as a probe of structural flexibility in a porous coordination polymer system.

  9. Single-ion magnetic anisotropy and isotropic magnetic couplings in the metal-organic framework Fe2(dobdc).

    Science.gov (United States)

    Maurice, Rémi; Verma, Pragya; Zadrozny, Joseph M; Luo, Sijie; Borycz, Joshua; Long, Jeffrey R; Truhlar, Donald G; Gagliardi, Laura

    2013-08-19

    The metal-organic framework Fe2(dobdc) (dobdc(4-) = 2,5-dioxido-1,4-benzenedicarboxylate), often referred to as Fe-MOF-74, possesses many interesting properties such as a high selectivity in olefin/paraffin separations. This compound contains open-shell Fe(II) ions with open coordination sites which may have large single-ion magnetic anisotropies, as well as isotropic couplings between the nearest and next nearest neighbor magnetic sites. To complement a previous analysis of experimental data made by considering only isotropic couplings [Bloch et al. Science 2012, 335, 1606], the magnitude of the main magnetic interactions are here assessed with quantum chemical calculations performed on a finite size cluster. It is shown that the single-ion anisotropy is governed by same-spin spin-orbit interactions (i.e., weak crystal-field regime), and that this effect is not negligible compared to the nearest neighbor isotropic couplings. Additional magnetic data reveal a metamagnetic behavior at low temperature. This effect can be attributed to various microscopic interactions, and the most probable scenarios are discussed.

  10. Zeolitic polyoxometalate-based metal-organic frameworks (Z-POMOFs): computational evaluation of hypothetical polymorphs and the successful targeted synthesis of the redox-active Z-POMOF1.

    Science.gov (United States)

    Rodriguez-Albelo, L Marleny; Ruiz-Salvador, A Rabdel; Sampieri, Alvaro; Lewis, Dewi W; Gómez, Ariel; Nohra, Brigitte; Mialane, Pierre; Marrot, Jérôme; Sécheresse, Francis; Mellot-Draznieks, Caroline; Ngo Biboum, Rosa; Keita, Bineta; Nadjo, Louis; Dolbecq, Anne

    2009-11-11

    The targeted design and simulation of a new family of zeolitic metal-organic frameworks (MOFs) based on benzenedicarboxylate (BDC) as the ligand and epsilon-type Keggin polyoxometalates (POMs) as building units, named here Z-POMOFs, have been performed. A key feature is the use of the analogy between the connectivity of silicon in dense minerals and zeolites with that of the epsilon-type Keggin POMs capped with Zn(II) ions. Handling the epsilon-Keggin as a building block, a selection of 21 zeotype structures, together with a series of dense minerals were constructed and their relative stabilities computed. Among these Z-POMOFs, the cristobalite-like structure was predicted to be the most stable structure. This prediction has been experimentally validated by the targeted synthesis of the first experimental Z-POMOF structure, which was strikingly found to possess the cristobalite topology, with three interpenetrated networks. Crystals of [NBu(4)](3)[PMo(V)(8)Mo(VI)(4)O(36)(OH)(4)Zn(4)(BDC)(2)].2H(2)O (Z-POMOF1) have been isolated under hydrothermal conditions from the reduction of ammonium heptamolybdate in the presence of phosphorous acid and Zn(II) ions. Tetrabutylammonium cations play the role of counterions and space-filling agents in this tridimensional interpenetrated framework. Moreover, the electrochemistry of the epsilon-Keggin POM is maintained and can be exploited in the insoluble Z-POMOF1 framework, as demonstrated by the electrocatalytic reduction of bromate.

  11. Metal-organic frameworks based on rigid ligands as separator membranes in supercapacitor.

    Science.gov (United States)

    Meng, Jiang-Ping; Gong, Yun; Lin, Qiang; Zhang, Miao-Miao; Zhang, Pan; Shi, Hui-Fang; Lin, Jian-Hua

    2015-03-28

    Two thermally stable MOFs formulated as CoL(1,4-bdc)·2DMF (L = 3,5-bis(5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)pyridine), 1,4-H2bdc = 1,4-benzenedicarboxylic acid) (1) and CdL(4,4'-bpc)·3DMF (4,4'-H2bpc = 4,4'-biphenyldicarboxylic acid) (2) have been solvothermally synthesized and exhibit a similar uninodal 6-connected 3D architecture with {4(12)·6(3)}-pcu topology. MOF1 shows a non-interpenetrated network with larger channel, whereas MOF 2 exhibits a 3-fold interpenetrating framework with smaller pore size. When the two MOFs are used as separator membranes in a supercapacitor, the equivalent series resistance (Res) is larger than the Res in the blank supercapacitor, and the smaller the current density, the more the Res. After being charged and discharged at the low current density, the supercapacitor with MOF 1 as separator membrane (denoted as 1a) possesses a much larger specific capacitance (SC) than the blank supercapacitor, and the amorphous separator membrane 1a shows a more porous morphology than the original MOF membrane 1.

  12. Chemical Composition and Antimicrobial Potential of Palm Leaf Extracts from Babaçu (Attalea speciosa), Buriti (Mauritia flexuosa), and Macaúba (Acrocomia aculeata)

    Science.gov (United States)

    Mahmoud, Talal Suleiman; do Nascimento, Guilherme Nobre L.; da Silva, Juliana Fonseca Moreira

    2016-01-01

    Babaçu (A. speciosa), Buriti (M. flexuosa), and Macaúba (A. aculeata) are palm trees typical of the ecotone area between Cerrado and the Amazon rainforest. The purpose of this study was to evaluate the antimicrobial potential of the extracts prepared from the leaves of those palms as well as determine their chemical compositions. The ethanol extracts were prepared in a Soxhlet apparatus and tested by disk diffusion and agar dilution technique against Staphylococcus aureus, Enterococcus faecalis, Escherichia coli, Pseudomonas aeruginosa, Candida albicans, and Candida parapsilosis. However, there was no significant activity at concentrations of 25, 50, and 100 mg·Ml−1. Moreover, the phytochemical analysis revealed the presence of tannins, flavonoids, catechins, steroids, triterpenes, and saponins. Gas chromatography (GC/MS) analysis also identified organic acids, such as capric (decanoic) acid, lauric (dodecanoic) acid, myristic (tetradecanoic) acid, phthalic (1,2-benzenedicarboxylic) acid, palmitic (hexadecanoic) acid, stearic (octadecanoic) acid, linoleic (9,12-octadecadienoic) acid (omega-6), linolenic (octadecatrienoic) acid (omega-3), and the terpenes citronellol and phytol. Based on the chemical composition in the palm leaf extracts, the palms have the potential to be useful in the food, cosmetic, and pharmaceutical industries. PMID:27529077

  13. Monolithic metal-organic framework MIL-53(Al)-polymethacrylate composite column for the reversed-phase capillary liquid chromatography separation of small aromatics.

    Science.gov (United States)

    Yusuf, Kareem; Badjah-Hadj-Ahmed, Ahmed Yacine; Aqel, Ahmad; ALOthman, Zeid Abdullah

    2016-03-01

    A monolithic capillary column containing a composite of metal-organic framework MIL-53(Al) incorporated into hexyl methacrylate-co-ethylene dimethacrylate was prepared to enhance the separation of mixtures of small aromatic compounds by using capillary liquid chromatography. The addition of 10 mg/mL MIL-53(Al) microparticles increased the micropore content in the monolithic matrix and increased the Brunauer-Emmett-Teller surface area from 26.92 to 85.12 m(2) /g. The presence of 1,4-benzenedicarboxylate moieties within the structure of MIL-53(Al) as an organic linker greatly influenced the separation of aromatic mixtures through π-π interactions. High-resolution separation was obtained for a series of alkylbenzenes (with resolution factors in the range 0.96-1.75) in less than 8 min, with 14 710 plates/m efficiency for propylbenzene, using a binary polar mobile phase of water/acetonitrile in isocratic mode. A reversed-phase separation mechanism was indicated by the increased retention factor and resolution as the water percentage in the mobile phase increased. A stability study on the composite column showed excellent mechanical stability under various conditions. The higher resolution and faster separation observed at increased temperature indicated an exothermic separation, whereas the negative values for the free energy change of transfer indicated a spontaneous process.

  14. Ti(3+)-, V(2+/3+)-, Cr(2+/3+)-, Mn(2+)-, and Fe(2+)-substituted MOF-5 and redox reactivity in Cr- and Fe-MOF-5.

    Science.gov (United States)

    Brozek, Carl K; Dincă, Mircea

    2013-08-28

    The metal nodes in metal-organic frameworks (MOFs) are known to act as Lewis acid catalysts, but few reports have explored their ability to mediate reactions that require electron transfer. The unique chemical environments at the nodes should facilitate unusual redox chemistry, but the difficulty in synthesizing MOFs with metal ions in reduced oxidation states has precluded such studies. Herein, we demonstrate that MZn3O(O2C-)6 clusters from Zn4O(1,4-benzenedicarboxylate)3 (MOF-5) serve as hosts for V(2+) and Ti(3+) ions and enable the synthesis of the first MOFs containing these reduced early metal ions, which can be accessed from MOF-5 by postsynthetic ion metathesis (PSIM). Additional MOF-5 analogues featuring Cr(2+), Cr(3+), Mn(2+), and Fe(2+) at the metal nodes can be obtained by similar postsynthetic methods and are reported here for the first time. The inserted metal ions are coordinated within an unusual all-oxygen trigonal ligand field and are accessible to both inner- and outer-sphere oxidants: Cr(2+)- converts into Cr(3+)-substituted MOF-5, while Fe(2+)-MOF-5 activates NO to produce an unusual Fe-nitrosyl complex.

  15. 多壁碳纳米管/聚丙烯酸/MOF-5的制备及其N2吸附性能%Preparation and N2 Adsorption Properties of Multi-walled Carbon Nanotubes/Polyacrylic Acid/MOF-5

    Institute of Scientific and Technical Information of China (English)

    金哲; 汤凯; 胡亚平; 吕景文; 陈志军

    2015-01-01

    用化学修饰法制备出复合物多壁碳纳米管/聚丙烯酸(MWCNTs/PAA),用溶剂热法合成Zn4O(1,4-benzenedicarboxylate)3(MOF-5)和MWCNTs/PAA/MOF-5.通过XRD、FTIR、TG、HRTEM和比表面积和孔隙度分析仪对MWCNTs,MOF-5,MWCNTs/PAA和MWCNTs/PAA/MOF-5的结构和性质进行表征.结果表明:复合材料MWCNTs/PAA中PAA包覆在碳纳米管外壁上,含量为4.3%,在FTIR中有PAA特征官能团的吸收峰;MWCNTs/PAA/MOF-5和MOF-5的形貌一样,MWCNTs/PAA/MOF-5的热分解温度比MOF-5的提高了49℃;MOF-5和MWCNTs/PAA/MOF-5的N2吸附曲线为Ⅰ型,77 K和100 kPa条件下,N2的吸附量达到最大值,分别为265、299.03 cm3·g-1.

  16. Porous carbon as electrode material in direct ethanol fuel cells (DEFCs) synthesized by the direct carbonization of MOF-5

    KAUST Repository

    Khan, Inayatali

    2014-01-12

    Porous carbon (PC-900) was prepared by direct carbonization of porous metal-organic framework (MOF)-5 (Zn4O(bdc)3, bdc=1,4-benzenedicarboxylate) at 900 °C. The carbon material was deposited with PtM (M=Fe, Ni, Co, and Cu (20 %) metal loading) nanoparticles using the polyol reduction method, and catalysts PtM/PC-900 were designed for direct ethanol fuel cells (DEFCs). However, herein, we are reporting PtFe/PC-900 catalyst combination which has exhibited superior performance among other options. This catalyst was characterized by powder XRD, high-resolution transmission electron microscopy (HRTEM), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and selected area electron diffraction (SAED) technique. The electrocatalytic capability of the catalyst for ethanol electrooxidation was investigated using cyclic voltammetry and direct ethanol single cell testing. The results were compared with those of PtFe and Pt supported on Vulcan XC72 carbon catalysts (PFe/CX-72 and Pt/XC-72) prepared via the same method. It has been observed that the catalyst PtFe/PC-900 developed in this work showed an outstanding normalized activity per gram of Pt (6.8 mA/g Pt) and superior power density (121 mW/cm2 at 90 °C) compared to commercially available carbon-supported catalysts. © Springer-Verlag Berlin Heidelberg 2014.

  17. Biodegradation of heavy oils by halophilic bacterium

    Institute of Scientific and Technical Information of China (English)

    Ruixia Hao; Anhuai Lu

    2009-01-01

    A halophilic bacterial strain TM-1 was isolated from the reservoir of the Shengli oil field in East China. Strain TM-1, which was found to be able to degrade crude oils, is a gram-positive non-motile bacterium with a coccus shape that can grow at temperatures of up to 58 ℃ and in 18% NaCl solution. Depending on the culture conditions, the organism may occur in tetrads. In addition, strain TM-1 pro-duced acid from glucose without gas formation and was catalase-negative. Furthermore, strain TM-I was found to be a facultative aer-obe capable of growth under anaerobic conditions. Moreover, it produced butylated hydroxytoluene, 1,2-benzenedicarboxylic acid-bis ester and dibutyl phthalate and could use different organic substrates. Laboratory studies indicated that strain TM-1 affected different heavy oils by degrading various components and by changing the chemical properties of the oils. In addition, growth of the bacterium in heavy oils resulted in the loss of aromatic hydrocarbons, resins and asphaltenes, and enrichment with light hydrocarbons and an overall redistribution of these hydrocarbons.

  18. The antibacterial capacity of marine bacteria isolated from sponge Acanthella cavernosa collected from Lombok Island

    Institute of Scientific and Technical Information of China (English)

    Tutik Murniasih; Eka Ayu Indriany; Masteri Yunovilsa Putra; Febriana Untari

    2016-01-01

    Objective:To find a potent antibiotic producer from the sponge-associated bacteria as well as to profile the important substances. Methods:Sponge collection, bacteria isolation, extraction and characterization of potent active compounds were carried out for this study. Results:Approximately 59 single strains of bacteria were isolated from this sponge. Totally 40 strains showed activity against Escerichia coli, Staphylococcus aureus and Vibrio eltor. The chemical separation of the potent strain Bacterium sp. Lb.10%.2.1.1.b, using n-phase column chromatography revealed 7 active fractions (7, 8, 9, 10, 11, 14 and 15). The gas chromatography-mass spectrometer analysis of Fraction 7 indicated some phenolic compounds including 4-nonylphenol, methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate, acetosyringone, 2,4-bis(1-phenylethyl)phenol, 1,2-benzenedicarboxylic acid, mono(2-ethylhexyl) ester, tri(2-ethylhexyl) trimellitate and oleamide. Conclusions:Indeed, this is a preliminary information in profiling chemical substances, produced by Bacterium sp. Lb.10%.2.1.1.b. Further purification and structural chemical determination were needed to find a comprehensive result.

  19. The antibacterial capacity of marine bacteria isolated from sponge Acanthella cavernosa collected from Lombok Island

    Directory of Open Access Journals (Sweden)

    Tutik Murniasih

    2016-10-01

    Full Text Available Objective: To find a potent antibiotic producer from the sponge-associated bacteria as well as to profile the important substances. Methods: Sponge collection, bacteria isolation, extraction and characterization of potent active compounds were carried out for this study. Results: Approximately 59 single strains of bacteria were isolated from this sponge. Totally 40 strains showed activity against Escerichia coli, Staphylococcus aureus and Vibrio eltor. The chemical separation of the potent strain Bacterium sp. Lb.10%.2.1.1.b, using n-phase column chromatography revealed 7 active fractions (7, 8, 9, 10, 11, 14 and 15. The gas chromatography-mass spectrometer analysis of Fraction 7 indicated some phenolic compounds including 4-nonylphenol, methyl 3-(3,5-di-tert-butyl-4-hydroxyphenylpropionate, acetosyringone, 2,4-bis(1-phenylethylphenol, 1,2-benzenedicarboxylic acid, mono(2- ethylhexyl ester, tri(2-ethylhexyl trimellitate and oleamide. Conclusions: Indeed, this is a preliminary information in profiling chemical substances, produced by Bacterium sp. Lb.10%.2.1.1.b. Further purification and structural chemical determination were needed to find a comprehensive result.

  20. All-gas-phase synthesis of UiO-66 through modulated atomic layer deposition

    Science.gov (United States)

    Lausund, Kristian Blindheim; Nilsen, Ola

    2016-01-01

    Thin films of stable metal-organic frameworks (MOFs) such as UiO-66 have enormous application potential, for instance in microelectronics. However, all-gas-phase deposition techniques are currently not available for such MOFs. We here report on thin-film deposition of the thermally and chemically stable UiO-66 in an all-gas-phase process by the aid of atomic layer deposition (ALD). Sequential reactions of ZrCl4 and 1,4-benzenedicarboxylic acid produce amorphous organic–inorganic hybrid films that are subsequently crystallized to the UiO-66 structure by treatment in acetic acid vapour. We also introduce a new approach to control the stoichiometry between metal clusters and organic linkers by modulation of the ALD growth with additional acetic acid pulses. An all-gas-phase synthesis technique for UiO-66 could enable implementations in microelectronics that are not compatible with solvothermal synthesis. Since this technique is ALD-based, it could also give enhanced thickness control and the possibility to coat irregular substrates with high aspect ratios. PMID:27876797

  1. All-gas-phase synthesis of UiO-66 through modulated atomic layer deposition

    Science.gov (United States)

    Lausund, Kristian Blindheim; Nilsen, Ola

    2016-11-01

    Thin films of stable metal-organic frameworks (MOFs) such as UiO-66 have enormous application potential, for instance in microelectronics. However, all-gas-phase deposition techniques are currently not available for such MOFs. We here report on thin-film deposition of the thermally and chemically stable UiO-66 in an all-gas-phase process by the aid of atomic layer deposition (ALD). Sequential reactions of ZrCl4 and 1,4-benzenedicarboxylic acid produce amorphous organic-inorganic hybrid films that are subsequently crystallized to the UiO-66 structure by treatment in acetic acid vapour. We also introduce a new approach to control the stoichiometry between metal clusters and organic linkers by modulation of the ALD growth with additional acetic acid pulses. An all-gas-phase synthesis technique for UiO-66 could enable implementations in microelectronics that are not compatible with solvothermal synthesis. Since this technique is ALD-based, it could also give enhanced thickness control and the possibility to coat irregular substrates with high aspect ratios.

  2. 虎皮楠内生真菌Aspergillus sp.DCS31化学成分研究%Chemical Constituents from the Endophytic Fungus Aspergillus sp.DCS31 of Daphniphyllum longeracemosum

    Institute of Scientific and Technical Information of China (English)

    孟欣欣; 葛锋; 曾英; 赵沛基

    2013-01-01

    Endophytic fungus Aspergillus sp. DCS31 was isolated from Daphniphyllum longeracemosum and identified to be Aspergillus by ITS sequence. Five compounds were isolated from the solid-state fermentation product of endophytic fungus Aspergillus sp. DCS31. Their structures were identified as asperpyrone D (1) , asperpyrone A (2),flavasperone (3) ,1,2-benzene dicarboxylic acid bis(2α-methyl hepryl) ester (4) and 2,5-dihydroxyphenylacetic acid methyl ester (5). Compounds 1-4 were isolated from the endophytic fungus of Daphniphyllum longeracemosum for the first time.%从长序虎皮楠韧皮部分离到内生真菌Aspergillus sp.DCS31,经ITS序列分析将该株菌鉴定为曲霉属真菌.我们从该菌的固体发酵物中分离得到了5个化合物,经质谱和核磁共振波谱解析,分别鉴定为asperpyroneD(1)、asperpyrone A(2)、flavasperone(3)、1,2-benzenedicarboxylic acid bis(2α-methyl heptyl)ester (4)、2,5-di-hydroxyphenylacetic acid methyl ester(5).化合物1、2、3、4为首次从虎皮楠内生真菌中分离得到.

  3. Influence of Solvent-Like Sidechains on the Adsorption of Light Hydrocarbons in Metal-Organic Frameworks.

    Science.gov (United States)

    Schneemann, Andreas; Bloch, Eric D; Henke, Sebastian; Llewellyn, Philip L; Long, Jeffrey R; Fischer, Roland A

    2015-12-14

    A variety of strategies have been developed to adsorb and separate light hydrocarbons in metal-organic frameworks. Here, we present a new approach in which the pores of a framework are lined with four different C3 sidechains that feature various degrees of branching and saturation. These pendant groups, which essentially mimic a low-density solvent with restricted degrees of freedom, offer tunable control of dispersive host-guest interactions. The performance of a series of frameworks of the type Zn2 (fu-bdc)2 (dabco) (fu-bdc(2-) =functionalized 1,4-benzenedicarboxylate; dabco=1,4-diazabicyclo[2.2.2]octane), which feature a pillared layer structure, were investigated for the adsorption and separation of methane, ethane, ethylene, and acetylene. The four frameworks exhibit low methane uptake, whereas C2 hydrocarbon uptake is substantially higher as a result of the enhanced interaction of these molecules with the ligand sidechains. Most significantly, the adsorption quantities and selectivity were found to depend strongly upon the type of sidechains attached to the framework scaffold.

  4. Comparative study of two layered lanthanide dicarboxylates based on europium(III) dimers

    Science.gov (United States)

    Surblé, Suzy; Serre, Christian; Millange, Franck; Pellé, Fabienne; Férey, Gérard

    2007-02-01

    The new rare-earth dicarboxylate solid Eu 2(H 2O) 4{C 6H 10-(CO 2) 2} 3·2H 2O or MIL-94 has been isolated under hydrothermal conditions. Its layered structure, which was solved using X-ray powder diffraction data, is built up from dimers of nine-coordinated edge-sharing polyhedra linked through 1,3-cyclohexane dicarboxylate (1,3-CHC) moieties. A comparative study of MIL-94 and the layered lanthanide dicarboxylate EuBDC or Eu 2(H 2O) 2{C 6H 4-(CO 2) 2} 3, which is built up from dimers of corner-sharing polyhedra and 1,3-benzenedicarboxylate (1,3-BDC) linkers, is also reported. Crystal data for MIL-94: orthorhombic space group Pnma (no. 62) with a = 8.8470(1) Å, b = 25.0148(1) Å, c = 14.3716(4) Å and Z = 4. MIL stands for Material Institut Lavoisier.

  5. Oxidation of ethane to ethanol by N2O in a metal-organic framework with coordinatively unsaturated iron(II) sites

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, Dianne J.; Bloch, Eric D.; Mason, Jarad A.; Queen, Wendy L.; Hudson, Matthew R.; Planas, Nora; Borycz, Joshua; Dzubak, Allison L.; Verma, Pragya; Lee, Kyuho; Bonino, Francesca; Crocellà, Valentina; Yano, Junko; Bordiga, Silvia; Truhlar, Donald G.; Gagliardi, Laura; Brown, Craig M.; Long, Jeffrey R. [UCB; (NIST); (LBNL); (UMM); (Turin)

    2014-08-19

    Enzymatic haem and non-haem high-valent iron–oxo species are known to activate strong C–H bonds, yet duplicating this reactivity in a synthetic system remains a formidable challenge. Although instability of the terminal iron–oxo moiety is perhaps the foremost obstacle, steric and electronic factors also limit the activity of previously reported mononuclear iron(IV)–oxo compounds. In particular, although nature's non-haem iron(IV)–oxo compounds possess high-spin S = 2 ground states, this electronic configuration has proved difficult to achieve in a molecular species. These challenges may be mitigated within metal–organic frameworks that feature site-isolated iron centres in a constrained, weak-field ligand environment. Here, we show that the metal–organic framework Fe2(dobdc) (dobdc4- = 2,5-dioxido-1,4-benzenedicarboxylate) and its magnesium-diluted analogue, Fe0.1Mg1.9(dobdc), are able to activate the C–H bonds of ethane and convert it into ethanol and acetaldehyde using nitrous oxide as the terminal oxidant. Electronic structure calculations indicate that the active oxidant is likely to be a high-spin S = 2 iron(IV)–oxo species.

  6. Determination of optimal conditions for obtaining 1,3-dimethoxy-1-phenyl-propane by addition of methylal to styrene

    Energy Technology Data Exchange (ETDEWEB)

    Brudnik, I.M.; Akhmatdinov, R.T.; Kantor, E.A.; Rakhmankulov, D.L.

    1988-02-10

    The reaction of styrene with methylal was investigated in order to reveal the regularities of the reaction and determine the conditions for obtaining acceptable yields of 1,3-dimethoxy-1-phenylpropane. Earlier, boron trifluoride was recommended as catalyst of the reaction. However, the necessity of working at low temperatures or under pressure makes this catalyst inconvenient for quantitative syntheses. The primary task of the investigation was determination of the possibility of using some other acidic catalysts, particularly sulfuric acid, para toluenesulfonic acid monohydrate, KU-2 cation-exchanger, zinc chloride, and boron trifluoride etherate. The most effective and selective of the investigated catalysts is boron trifluoride etherate.

  7. A new monoterpenoid glucoside from the twigs of Chamaecyparis obtusa var.breviramea f.crippsii%黄叶扁柏枝叶中的一个新单萜苷

    Institute of Scientific and Technical Information of China (English)

    徐健; 张玉梅; 陈科力; 谭宁华; 刘义梅

    2012-01-01

    为了研究黄叶扁柏(Chamaecyparis obtusa var.breviramea f.crippsii)的化学成分,用硅胶柱、Sephadex LH-20、C18反相硅胶柱色谱、制备液相等色谱方法从其枝叶中分离得到6个化合物,通过波谱方法将它们的结构分别鉴定为(4S)-4-isopropylcyclohex-1-enecarboxylic acid 4-O-β-D-glucopyranoside (1)、(4R)-p-menth- 1-ene-7,8-diol 7-O-β-D-glucopyranoside (2)、skimmin (3)、7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2H-1-benzopyran-2-one (4)、stigmast-4-en-3-one (5)和1,4-benzenedicarboxylic acid l-butyl-4-(2-methylpropyl) ester (6).其中化合物1为新化合物,化合物2~6为首次从该植物中分离得到.体外细胞毒活性筛选发现,黄叶扁柏枝叶的甲醇提取物在人A549、BGC-823、Du145和MDA-MB-231肿瘤细胞株上均显示一定的细胞毒活性,其IC50值分别为0.94、1.07、0.95和0.96 μg·mL-1,但化合物1、2和3在人HeLa、BGC-823和A549细胞株上均无明显细胞毒活性.%To investigate the chemical constituents of Chamaecyparis obtusa var. breviramea f. crippsii, various column chromatography and spectroscopic methods were used for the isolation and elucidation of compounds. One new monoterpenoid glucoside, (4S)-4-isopropylcyclohex-l-enecarboxylic acid 4-O-β-D-glucopyranoside (1), together with five known compounds, (4R)-p-menth-l-ene-7, 8-diol 7-O-β-D-glucopyranoside (2), skimmin (3), 7-[[6-O-(6-deoxy-α-Z-mannopyranosyl)-β-Z)-glucopyranosyl]oxy]-2H-1-benzopyran-2-one (4), stigmast-4-en-3-one (5) and 1, 4-benzenedicarboxylic acid l-butyl-4-(2-methylpropyl) ester (6) were isolated and identified from the twigs of this plant. All compounds were isolated from this plant for the first time. The methanol extract of this plant showed cytotoxicity on cancer cell lines A549, BGC-823, Dul45 and MDA-MB-231 with IC50 values of 0.94, 1.07, 0.95 and 0.96 μg·mL-1, respectively. Yet, compounds 1, 2 and 3 showed no cytotoxicity on cancer cell lines HeLa, BGC-823 and A549.

  8. A two-dimensional yttrium phthalate coordination polymer, [Y4(H2O)2(C8H4O4)6]∞, exhibiting different coordination geometries

    Indian Academy of Sciences (India)

    A Thirumurugan; Srinivasan Natarajan

    2003-10-01

    A hydrothermal reaction of a mixture of Y(NO3)3, 1,2-benzenedicarboxylic acid (1,2-BDC) and NaOH gives rise to a new yttrium phthalate coordination polymer, [Y4(H2O)2(C8H4O4)6]∞, I. The Y ions in I are present in four different coordination environments with respect to the oxygen atoms (CN6 = octahedral, CN7 = pentagonal bipyramid, CN8 = dodecahedron and CN9 =capped square antiprism). The oxygen atoms of the 1,2-BDC are fully deprotonated, and show variations in their connectivity with Y atoms. The Y atoms themselves are connected through their vertices forming infinite Y-O-Y one-dimensional chains. The Y-O-Y chains are cross-linked by the 1,2-BDC anions forming a corrugated layer structure. The layers are supported by favourable $\\ldots$ interactions between the benzene rings of the 1,2-BDC anions. The variations in the coordination environment of the Y atoms and the presence of Y-O-Y interactions along with the favourable $\\ldots$ interactions between the benzene rings from different layers are noteworthy structural features. Crystal data: triclinic, space group = -1 (no. 2), = 12.6669 (2), = 13.8538 (2), = 16.0289 Å, = 75.20 (1), = 69.012 (1), = 65.529 (1)°, = 2371.28 (7) Å3, calc = 1.922 g cm-1, (MoK) = 4.943 mm-1. A total of 9745 reflections collected and merged to give 6566 unique reflections (int = 0.0292) of which 5252 with > 2() were considered to be observed. Final 2 = 0.0339, 2 = 0.0724 and =1.036 were obtained for 704 parameters.

  9. Development of low-alcohol floral water mixed with extract from mugwort%复合型艾叶低醇驱蚊露的研制

    Institute of Scientific and Technical Information of China (English)

    张岳花; 曾平; 谢维跃; 汤志球; 李帜红; 黄向辉

    2013-01-01

    Objective To develop a low-alcohol floral water with long repellent time and low irritation. Meth-ods Using dimethyl phthalate 1,2- Benzenedicarboxylic acid ( BAAPE) as a mosquito repellent with addition of extracts from mugwort, mint and lavender in order to give the products antipruritic effect. The mixed problem was resolved with introduction of the PEG - 40 hydrogenated castor oil as a solubilizer. Results A low-alcohol floral water mixed with mugwort and the ethanol content below 25% was prepared. Tests showed that the mosquito repellent time of the product was more than 4. 7 hours,and the physical and chemical properties were in line with our company' s enterprise standards. Conclusion The product is suitable for using in home and travel because of its long repellent time and high safety.%目的 开发一种驱蚊时效长、刺激性低的低醇驱蚊露产品.方法 使用驱蚊酯作为蚊虫驱避剂,同时添加艾叶、薄荷、薰衣草天然植物提取物以赋予产品止痒健肤的功效,在配方中引入PEG-40氢化蓖麻油作为增溶剂解决混溶问题.结果 研制出一款乙醇含量在25%以下的复合型艾叶低醇驱蚊露,有效驱蚊时间达4.7h以上,各项理化指标均符合已制定的企业标准.结论 产品具有驱蚊时间长、安全性高的优点,适合各类人群居家及旅行使用.

  10. The SRAP based molecular diversity related to antifungal and antioxidant bioactive constituents for biocontrol potentials of Trichoderma against Sclerotium rolfsii Scc.

    Science.gov (United States)

    Hirpara, Darshna G; Gajera, H P; Bhimani, R D; Golakiya, B A

    2016-08-01

    The study was performed to examine 11 isolates of Trichoderma for their bio-control potentials against Sclerotium rolfsii Sacc. causing stem rot in groundnut. The antagonists Trichoderma were subjected to sequence related amplified polymorphism (SRAP) based molecular diversity analysis and compared with their hardness to S. rolfsii with respect to secretary antifungal and antioxidant profile. T. virens NBAII Tvs 12 evident highest (87.91 %) growth inhibition of test pathogen followed by T. koningii MTCC 796 (67.03 %) at 7 days after inoculation (DAI). Microscopic study confirmed biocontrol mechanism as mycoparasitism for Tvs 12 and antibiosis for MTCC 796. The growth inhibition of test pathogen was significantly negatively correlated with sclerotia formation and lipid peroxidation during antagonism due to release of secretary bioactive antioxidants by antagonists to terminate oxidative burst generated by S. rolfsii and causing inhibition of sclerotium formation. The GC-MS profile identified antifungal and antioxidant constituents hexadecane, 1,2-benzenedicarboxylic acid, mono (2-ethylhexyl) ester, 1-hexadecanesulfonyl chloride, and octadecane in potent antagonists Tvs 12; and nonacosane and octadecane in MTCC 796 along with two novel compounds 1-pentadecene and 1-heneicosyl formate for biocontrol activity. Molecular diversity of Trichoderma isolates associated with antagonistic activity was assessed by SRAP markers. The 115 primer combinations generate total 1328 amplified products of which, 1095 are shared polymorphic and 199 are unique polymorphic. The 15 SRAP combinations produced 18 bands to diagnose best antagonist Tvs 12 and 13 SRAP combinations generated 19 unique bands for identification of MTCC 796. The mycoparasitic antagonist Tvs 12 would be the best antagonist and released unique antifungal and antioxidant constituents to combat pathogen infection. The SRAP based genetic diversity indicates Tvs12 strain clustered with T. viride NBAII Tv23 and shared

  11. Syntheses, structures and fluorescence properties of cadmium coordination polymers with triangular 1,3-bis[2-(4‧-pyridyl)ethenyl]benzene and linear dicarboxylic acids

    Science.gov (United States)

    Liang, Rui; Yue, Fangfang; Wang, Yuting; Guo, Yongkang; Xuan, Xiaopeng

    2016-09-01

    Three new polymeric complexes [Cd3(1,3-BPEB)3(1,4-BDC)3·2H2O]n (1), [Cd2(1,3-BPEB)2(4,4‧-BPDC)2]n (2) and [Cd2(1,3-BPEB)2(4,4‧-STDC)2]n (3) (1,3-BPEB = 1,3-bis[2-(4‧-pyridyl)ethenyl]benzene, 1,4-BDC = 1,4-benzenedicarboxylic acid, 4,4‧-BPDC = 4,4‧-biphenyldicarboxylic acid and 4,4‧-STDC = 4,4‧-stilbenedicarboxylic acid) have been prepared by the solvothermal reaction of 1,3-BPEB, Cd(NO3)2·4H2O and dicarboxylic acids. Single-crystal X-ray diffraction reveals that these complexes have novel complicated structures. Complex 1 is a 3-D network structure by linking Cd atoms with 1,4-BDC and 1,3-BPEB ligands. Complex 2 shows a 3-D interpenetrating layered structure formed by three networks which derived from bridged Cd atoms with 4,4‧-BPDC and 1,3-BPEB ligands. Complex 3 has a fivefold interpenetrating 3-D coordination framework by linking Cd atoms with 4,4‧-STDC and 1,3-BPEB ligands. The dicarboxylic acids afford different coordination modes to bind Cd atoms in these three complexes. Additionally, these compounds were further characterized by PXRD, FT-IR spectroscopy and thermogravimetric (TG) analysis. Their fluorescence spectra were also determined and analyzed in the solid state at room temperature.

  12. MIL-53(Fe) as a highly efficient bifunctional photocatalyst for the simultaneous reduction of Cr(VI) and oxidation of dyes

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Ruowen; Jing, Fenfen; Shen, Lijuan; Qin, Na; Wu, Ling, E-mail: wuling@fzu.edu.cn

    2015-04-28

    Highlights: • Fe(III)-based MOF was firstly applied to the photocatalytic reduction reaction. • MIL-53(Fe) exhibited an outstanding photocatalytic activity for reduction of Cr(VI). • A first systematic study of the Fe(III)-based MOF as bifunctional photocatalyst. • Dyes and Cr(VI) could be also converted simultaneously over MIL-53(Fe). • MIL-53(Fe) was performed a stable and reusable visible-light-driven photocatalyst. - Abstract: A bifunctional photocatalyst-Fe-benzenedicarboxylate (MIL-53(Fe)) has been synthesized successfully via a facile solvothermal method. The resulting MIL-53(Fe) photocatalyst exhibited an excellent visible light (λ ≥ 420 nm) photocatalytic activity for the reduction of Cr(VI), the reduction rate have reached about 100% after 40 min of visible light irradiation, which has been more efficient than that of N-doped TiO{sub 2} (85%) under identical experimental conditions. Further experimental results have revealed that the photocatalytic activity of MIL-53(Fe) for the reduction of Cr(VI) can be drastically affected by the pH value of the reaction solution, the hole scavenger and atmosphere. Moreover, MIL-53(Fe) has exhibited considerable photocatalytic activity in the mixed systems (Cr(VI)/dyes). After 6 h of visible light illumination, the reduction ratio of Cr(VI) and the degradation ratio of dyes have been exceed 60% and 80%, respectively. More significantly, the synergistic effect can also be found during the process of photocatalytic treatment of Cr(VI) contained wastewater under the same photocatalytic reaction conditions, which makes it a potential candidate for environmental restoration. Finally, a possible reaction mechanism has also been investigated in detail.

  13. Construction of five Zn(ii)/Cd(ii) coordination polymers derived from a new linear carboxylate/pyridyl ligand: design, synthesis, and photocatalytic properties.

    Science.gov (United States)

    Liu, Lei-Lei; Yu, Cai-Xia; Du, Ji-Min; Liu, Shi-Min; Cao, Jing-Shuai; Ma, Lu-Fang

    2016-08-02

    Solvothermal reactions of Cd(OAc)2/Zn(OAc)2 with a new ligand, (pyridin-3-yl)methyl 4-(2-(4-((pyridin-3-yl)methoxy)phenyl)diazenyl)benzoate (L1), under different templates via an in situ ligand transformation reaction produced five coordination polymers, [CdL2(H2O)]n (1), [Cd1.5L3]n (2), [Cd2L4]n (3), [(ZnL2)·H2O]n (4) and {[Zn(1,3-BDC)(L1)]·MeCN·0.5H2O}n (5), where HL = 4-(2-(4-((pyridin-3-yl)methoxy)phenyl)diazenyl)benzoic acid, 1,3-H2BDC = 1,3-benzenedicarboxylic acid. Compound 1 is a three-dimensional (3D) wave-like structure constructed from 4-connected Cd(ii) nodes and L(-) linkers. Compounds 2 and 3 bear similar 2D networks built from metallocyclic [Cd4L4] units. Compound 4 features a wrinkled 2D layer based on metallocyclic [Zn4L4] units. Compound 5 has a novel 1D single-wall metal-organic nanotube (SWMONT) in which the 1,3-BDC ligands act as linkers to connect the [Zn2(L1)2] rings. The results reveal that the different templates have a significant effect on the final structures. Compounds 1-5 exhibited relatively high photocatalytic activity towards the degradation of methylene blue (MB) in aqueous solution under UV-Vis irradiation. The kinetics of the catalytic photodegradation reactions and the stabilities of photocatalysts were also investigated.

  14. UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation

    KAUST Repository

    Luo, Feng

    2016-04-26

    A new metal-organic framework Zn2(H2O)-(dobdc)·0.5(H2O) (UTSA-74, H4dobdc = 2,5-dioxido-1,4-benzenedicarboxylic acid), Zn-MOF-74/CPO-27-Zn isomer, has been synthesized and structurally characterized. It has a novel four coordinated fgl topology with one-dimensional channels of about 8.0 Å. Unlike metal sites in the wellestablished MOF-74 with a rod-packing structure in which each of them is in a five coordinate square pyramidal coordination geometry, there are two different Zn2+ sites within the binuclear secondary building units in UTSA-74 in which one of them (Zn1) is in a tetrahedral while another (Zn2) in an octahedral coordination geometry. After activation, the two axial water molecules on Zn2 sites can be removed, generating UTSA-74a with two accessible gas binding sites per Zn2 ion. Accordingly, UTSA-74a takes up a moderately high and comparable amount of acetylene (145 cm3/cm3) to Zn-MOF-74. Interestingly, the accessible Zn2+ sites in UTSA-74a are bridged by carbon dioxide molecules instead of being terminally bound in Zn-MOF-74, so UTSA-74a adsorbs a much smaller amount of carbon dioxide (90 cm3/cm3) than Zn-MOF-74 (146 cm3/cm3) at room temperature and 1 bar, leading to a superior MOF material for highly selective C2H2/CO2 separation. X-ray crystal structures, gas sorption isotherms, molecular modeling, and simulated and experimental breakthroughs comprehensively support this result. © 2016 American Chemical Society.

  15. Spectroscopic properties of a series of Co(II) coordination polymers and the influence of Co(II) coordination environment on photoelectric property

    Science.gov (United States)

    Jin, Jing; Gong, Yuanyuan; Li, Lei; Han, Xiao; Meng, Qin; Liu, Yonghua; Niu, Shuyun

    2015-02-01

    Four Co(II) coordination polymers, [Co(suc)]n1, [Co(pdc)]n2, {[Co7(suc)4(OH)6(H2O)3] · 8H2O}n3, {[Co(bdc)(phen)(H2O)] · H2O}n4 (H2suc = succinic acid, H2pdc = pyridine-3,4-dicarboxylic acid, H2bdc = 1,2-benzenedicarboxylic acid, phen = 1,10-phenanthroline) were hydrothermally synthesized and characterized by X-ray single-crystal diffraction, surface photovoltage spectroscopy (SPS), electrical conductivity, thermogravimetric analysis (TG), ultraviolet visible and near-infrared absorption spectrum (UV-Vis-NIR), infrared spectrum (IR), and elemental analysis. The structural analyses indicate that the coordination numbers of the Co(II) ions are 4, 5, 6 and 6 for the polymers 1-4, respectively. And polymers 1 and 2 exhibit 3D structure formed by suc2- and pdc2- anions bridging Co(II) ions, respectively. Polymer 3 exhibits a 2D structure with suc2- anions bridging seven-nuclear [Co7(OH)6(H2O)3]3- unit and polymer 4 is a 1D structure bridged by bdc2- anions. The surface photoelectric properties of the cobalt polymers were mainly studied by SPS. The results of SPS reveal that all polymers possess certain photoelectric conversion property in the range of 300-800 nm. The influences of the structure, coordination micro-environment of central metal ion and structural dimensionality on response bands of SPS were discussed.

  16. Cadmium(Ⅱ) Nitrite Complex Based on the Bis(2-benzimidazole) and Aromatic Carboxylate Ligands%Cadmium(Ⅱ) Nitrite Complex Based on the Bis(2-benzimidazole) and Aromatic Carboxylate Ligands

    Institute of Scientific and Technical Information of China (English)

    JIANG Luan; FENG Guo-Dong; CHEN Qiang; YANG De-Suo; LI Zong-Xiao; LUO Xiao-Lin

    2012-01-01

    A new cadmium(Ⅱ) nitrite complex Cd2(H2C3PIm)2(BDC)(NO2)2(1,H2C3PIm = 2,2'-(1,3-propanediyl)bis(1H-benzimidazole),H2BDC = 1,4-benzenedicarboxylic acid) has been synthesized by solvothermal reaction in formamide,and its structure(C42H36Cd2N10O8,Mr = 1033.61) was determined by single-crystal X-ray diffraction analysis.The crystal belongs to the monoclinic system,space group P21/n with a = 0.9859(5),b = 0.8936(5),c = 2.3188(5) nm,β = 97.576(5)°,V = 2.025(16) nm3,Z = 2,Dc = 1.695 g/cm3,μ(MoKα) = 1.118 mm-1,F(000) = 1036,S = 1.017,the final R = 0.0304 and wR = 0.0752 for 3761 reflections with I 〉 2σ(I).The centrosymmetric complex 1 contains a dimer in which two distorted octahedral Cd(II) centers are bridged by BDC ligand and chelated by H2C3PIm.The units of the complex are linked via weak N-H···O hydrogen bonds between the nitrito and the BDC ligands,leading to the formation of a 1D zigzag chain along the b axis.The π-π packing interactions contribute to the formation of a three-dimensional supramolecular architecture.The complex exhibits strong photoluminescence at room temperature.

  17. Olsalazine-Based Metal–Organic Frameworks as Biocompatible Platforms for H 2 Adsorption and Drug Delivery

    Energy Technology Data Exchange (ETDEWEB)

    Levine, Dana J.; Runčevski, Tomče; Kapelewski, Matthew T.; Keitz, Benjamin K.; Oktawiec, Julia; Reed, Douglas A.; Mason, Jarad A.; Jiang, Henry Z. H.; Colwell, Kristen A.; Legendre, Christina M.; FitzGerald, Stephen A.; Long, Jeffrey R.

    2016-08-17

    The drug olsalazine (H4olz) was employed as a ligand to synthesize a new series of mesoporous metal–organic frameworks that are expanded analogues of the well-known M2(dobdc) materials (dobdc4– = 2,5-dioxido-1,4-benzenedicarboxylate; M-MOF-74). The M2(olz) frameworks (M = Mg, Fe, Co, Ni, and Zn) exhibit high surface areas with large hexagonal pore apertures that are approximately 27 Å in diameter. Variable temperature H2 adsorption isotherms revealed strong adsorption at the open metal sites, and in situ infrared spectroscopy experiments on Mg2(olz) and Ni2(olz) were used to determine site-specific H2 binding enthalpies. In addition to its capabilities for gas sorption, the highly biocompatible Mg2(olz) framework was also evaluated as a platform for the delivery of olsalazine and other encapsulated therapeutics. The Mg2(olz) material (86 wt % olsalazine) was shown to release the therapeutic linker through dissolution of the framework under simulated physiological conditions. Furthermore, Mg2(olz) was used to encapsulate phenethylamine (PEA), a model drug for a broad class of bioactive compounds. Under simulated physiological conditions, Mg2(olz)(PEA)2 disassembled to release PEA from the pores and olsalazine from the framework itself, demonstrating that multiple therapeutic components can be delivered together at different rates. The low toxicity, high surface areas, and coordinatively unsaturated metal sites make these M2(olz) materials promising for a range of potential applications, including drug delivery in the treatment of gastrointestinal diseases.

  18. Activity-guided isolation and identification of anti-staphylococcal components from Senecio tenuifolius Burm. F. leaf extracts

    Institute of Scientific and Technical Information of China (English)

    Manjunath Manubolu; Lavanya Goodla; Sivajyothi Ravilla; Vijayasarathi Reddy Obulum

    2013-01-01

    Objective: To investigate activity-guided isolation and identification of anti-Staphylococcus aures components from Senecio tenuifolius Burm. F. (S. tenuifolius). Methods: Hexane, chloroform, ethyl acetate, methanol and aqueous extracts of S. tenuifolius were prepared by soxilation for antimicrobial activity against one registered Staphylococcus aureus (S. aureus) (ATCC No: 25923) and two clinical isolates, methicillin resistant and methicillin sensitive S. aureus. NCCL standard methods were followed for antibacterial activity. GC-MS was performed to identify the chemical composition of bio active fraction. Results:Among all solvent extracts, methanol extract significantly reduced the growth of S. aureus (ATCC No: 25923), methicillin resistant and methicillin sensitive S. aureus with the best zone of inhibition at 16.23, 14.06 and 15.23 mm and minimum inhibition concentration (MIC) values at 426.16, 683.22 and 512.12 µg/mL, respectively. In order to detect the active component in methanol extract, it was further purified by column chromatography, which yielded four fractions (St1, St2, St3, and St4). Among these four fractions, St3 was effective against the tested strains of S. aures, with the best zone of inhibition at 15.09, 13.25 and 14.12 mm and with best MIC values at 88.16, 128.11 and 116.12 µg/mL, respectively. Effective fraction partially purified from S. tenuifolius (St3) yielded MIC’s that were at least 20 fold less when compared to crude extract. GC-MS analysis of St3 revealed the presence of 3-[methyl-6,7-dihydro benzofuran-4 (5H)-one], 1,2-benzenedicarboxylic acid, hydroquinone, methyl ester and 3 unknown compounds. Conclusions:The study provides scientific evidence for traditional and folklore medicinal use of S. tenuifolius in skin infections treatment.

  19. Synthesis, characterization and sorption properties of functionalized Cr-MIL-101-X (X=-F, -Cl, -Br, -CH3, -C6H4, -F2, -(CH3)2) materials

    Science.gov (United States)

    Buragohain, Amlan; Couck, Sarah; Van Der Voort, Pascal; Denayer, Joeri F. M.; Biswas, Shyam

    2016-06-01

    Four existing and three new functionalized chromium terephthalates having MIL-101 topology and denoted as Cr-MIL-101-X (existing ones with X=-F, 1-F; -Cl, 2-Cl; -Br, 3-Br; -CH3, 4-CH3; new ones with X=-C6H4, 5-C6H4; -F2, 6-F2, -(CH3)2, 7-(CH3)2) were synthesized under hydrothermal conditions. All the materials except 5-C6H4 could be prepared by a general synthetic route, in which the mixtures of CrO3, H2BDC-X (BDC=1,4-benzenedicarboxylate) linkers, conc. HCl and water with a molar ratio of 1:1:3.9:222.2 were reacted at 180 °C for 144 h. Compared to the 144 h of synthesis time, three of the compounds, namely 1-Cl, 2-Br and 5-C6H4, could be prepared in much shorter reaction times (12-18 h at 180-210 °C). The materials possess high thermal stability up to 270-300 °C in an air atmosphere. The activated compounds exhibit significant porosity (SBET range: 1273-2135 m2 g-1). At 0 °C and 1 bar, the CO2 adsorption capacities of the compounds fall in the 1.7-2.9 mmol g-1 range. Compounds 1-F and 6-F2 showed enhanced CO2 uptake values compared to parent Cr-MIL-101. The benzene adsorption capacities of the compounds lie in the range of 66.2-139.5 molecules per unit cell at 50 °C and p/p0=0.35. The increased benzene uptake value of 1-F compared to un-functionalized Cr-MIL-101 and 4-CH3 suggests that the fluorination has induced more hydrophobicity in Cr-MIL-101 as compared to the methylation.

  20. UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation.

    Science.gov (United States)

    Luo, Feng; Yan, Changsheng; Dang, Lilong; Krishna, Rajamani; Zhou, Wei; Wu, Hui; Dong, Xinglong; Han, Yu; Hu, Tong-Liang; O'Keeffe, Michael; Wang, Lingling; Luo, Mingbiao; Lin, Rui-Biao; Chen, Banglin

    2016-05-04

    A new metal-organic framework Zn2(H2O)(dobdc)·0.5(H2O) (UTSA-74, H4dobdc = 2,5-dioxido-1,4-benzenedicarboxylic acid), Zn-MOF-74/CPO-27-Zn isomer, has been synthesized and structurally characterized. It has a novel four coordinated fgl topology with one-dimensional channels of about 8.0 Å. Unlike metal sites in the well-established MOF-74 with a rod-packing structure in which each of them is in a five coordinate square pyramidal coordination geometry, there are two different Zn(2+) sites within the binuclear secondary building units in UTSA-74 in which one of them (Zn1) is in a tetrahedral while another (Zn2) in an octahedral coordination geometry. After activation, the two axial water molecules on Zn2 sites can be removed, generating UTSA-74a with two accessible gas binding sites per Zn2 ion. Accordingly, UTSA-74a takes up a moderately high and comparable amount of acetylene (145 cm(3)/cm(3)) to Zn-MOF-74. Interestingly, the accessible Zn(2+) sites in UTSA-74a are bridged by carbon dioxide molecules instead of being terminally bound in Zn-MOF-74, so UTSA-74a adsorbs a much smaller amount of carbon dioxide (90 cm(3)/cm(3)) than Zn-MOF-74 (146 cm(3)/cm(3)) at room temperature and 1 bar, leading to a superior MOF material for highly selective C2H2/CO2 separation. X-ray crystal structures, gas sorption isotherms, molecular modeling, and simulated and experimental breakthroughs comprehensively support this result.

  1. Thermodynamics of solvent interaction with the metal-organic framework MOF-5.

    Science.gov (United States)

    Akimbekov, Zamirbek; Wu, Di; Brozek, Carl K; Dincă, Mircea; Navrotsky, Alexandra

    2016-01-14

    The inclusion of solvent in metal-organic framework (MOF) materials is a highly specific form of guest-host interaction. In this work, the energetics of solvent MOF-5 interactions has been investigated by solution calorimetry in 5 M sodium hydroxide (NaOH) at room temperature. Solution calorimetric measurement of enthalpy of formation (ΔH(f)) of Zn4O(C8H4O4)3·C3H7NO (MOF-5·DMF) and Zn4O(C8H4O4)3·0.60C5H11NO (MOF-5·0.60DEF) from the dense components zinc oxide (ZnO), 1,4-benzenedicarboxylic acid (H2BDC), N,N-dimethylformamide (DMF) and N,N-diethylformamide (DEF) gives values of 16.69 ± 1.21 and 45.90 ± 1.46 kJ (mol Zn4O)(-1), respectively. The enthalpies of interaction (ΔH(int)) for DMF and DEF with MOF-5 are -82.78 ± 4.84 kJ (mol DMF)(-1) and -89.28 ± 3.05 kJ (mol DEF)(-1), respectively. These exothermic interaction energies suggest that, at low guest loading, Lewis base solvents interact more strongly with electron accepting Zn4O clusters in the MOF than at high solvent loading. These data provide a quantitative thermodynamic basis to investigate transmetallation and solvent assisted linker exchange (SALE) methods and to synthesize new MOFs.

  2. Antimicrobial activities of methanolic extract of Carissa opaca roots and its fractions and compounds isolated from the most active ethyl acetate fraction

    Institute of Scientific and Technical Information of China (English)

    Dildar; Ahmed; Ramsha; Saeed; Nasir; Shakeel; Khaizran; Fatima; Aneela; Arshad

    2015-01-01

    Objective: To study the antibacterial and antifungal activities of methanolic extract of roots of Carissa opaca and its fractions in hexane, chloroform, ethyl acetate, n-butanol and water, and the isolated compounds.Methods: The zones of inhibition of the samples against test microorganisms were determined by agar well diffusion method. Minimum inhibitory concentrations of the samples were determined by agar well dilution method. Test microorganisms included four standard bacteria [Bacillus subtilis ATCC 6633(B. subtilis), Escherichia coli ATCC 8739(E. coli), Pseudomonas aeruginosa ATCC 9027(P. aeruginosa), and Staphylococcus aureus ATCC 6538], two standard fungi [Candida albicans ATCC 10231(C. albicans)] and Aspergillus niger, and six clinical isolates(B. subtilis, E. coli, P. aeruginosa, Staphylococcus aureus, Salmonella typhi and Enterobacter cloacae). The most active fraction was investigated to isolate compounds. The chemical compounds isolated from the ethyl acetate fraction were identified by gas chromatography-mass spectrometer, high performance liquid chromatography and liquid chromatography-mass spectrometer.Results: E. coli, P. aeruginosa, and C. albicans were the most susceptible. Less polar fractions exhibited stronger efficacy than polar ones, and ethyl acetate fraction proved to be the most potent. Zones of inhibition of hexane, chloroform and ethyl acetate fractions, and amoxil against C. albicans were 19.96, 22.01, 23.10 and 19.20 mm, respectively. Ethyl acetate faction was the most toxic to all the test microorganisms, with minimum inhibitory concentrations of 8.0, 7.8 and 7.78 μg/m L against P. aeruginosa, C. albicans and B. subtilis, respectively. Isolated compounds, limonene, 2’-hydroxyacetophenone, vanillin, naphthalenone, 2,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)-6-methylenecyclohexanone, 2-benzenedicarboxylic acid, mono(2-ethylhexyl) ester, β-sitosterol, vitamin E, rutin, quercetin, lupeol, epigallocatechin, showed considerable

  3. Antimicrobial activities of methanolic extract of Carissa opaca roots and its fractions and compounds isolated from the most active ethyl acetate fraction

    Institute of Scientific and Technical Information of China (English)

    Dildar Ahmed; Ramsha Saeed; Nasir Shakeel; Khaizran Fatima; Aneela Arshad

    2015-01-01

    Objective:To study the antibacterial and antifungal activities of methanolic extract of roots of Carissa opaca and its fractions in hexane, chloroform, ethyl acetate, n-butanol and water, and the isolated compounds. Methods:The zones of inhibition of the samples against test microorganisms were determined by agar well diffusion method. Minimum inhibitory concentrations of the samples were determined by agar well dilution method. Test microorganisms included four standard bacteria [Bacillus subtilis ATCC 6633 (B. subtilis), Escherichia coli ATCC 8739 (E. coli), Pseudomonas aeruginosa ATCC 9027 (P. aeruginosa), and Staphylococcus aureus ATCC 6538], two standard fungi [Candida albicans ATCC 10231 (C. albicans)] and Aspergillus niger, and six clinical isolates (B. subtilis, E. coli, P. aeruginosa, Staphylococcus aureus, Salmonella typhi and Enterobacter cloacae). The most active fraction was investigated to isolate compounds. The chemical compounds isolated from the ethyl acetate fraction were identified by gas chromatography-mass spectrometer, high performance liquid chromatography and liquid chromatography-mass spectrometer. Results:E. coli, P. aeruginosa, and C. albicans were the most susceptible. Less polar fractions exhibited stronger efficacy than polar ones, and ethyl acetate fraction proved to be the most potent. Zones of inhibition of hexane, chloroform and ethyl acetate fractions, and amoxil against C. albicans were 19.96, 22.01, 23.10 and 19.20 mm, respectively. Ethyl acetate faction was the most toxic to all the test microorganisms, with minimum inhibitory concentrations of 8.0, 7.8 and 7.78 µg/mL against P. aeruginosa, C. albicans and B. subtilis, respectively. Isolated compounds, limonene, 2'-hydroxyacetophenone, vanillin, naphthalenone, 2,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)-6-methylenecyclohexanone, 2-benzenedicarboxylic acid, mono(2-ethylhexyl) ester,β-sitosterol, vitamin E, rutin, quercetin, lupeol, epigallocatechin, showed considerable

  4. Growth, Fatty Acid, and Lipid Composition of Marine Microalgae Skeletonema costatum Available in Bangladesh Coast: Consideration as Biodiesel Feedstock

    Directory of Open Access Journals (Sweden)

    Tania Sharmin

    2016-01-01

    Full Text Available Among the various potential sources of renewable energy, biofuels are of most interest. Marine microalgae are the most promising oil sources for making biofuels, which can grow very rapidly and convert solar energy to chemical energy via CO2 fixation. The fatty acid profile of almost all the microalgal oil is suitable for the synthesis of biofuel. In this research, fatty acid and lipid contents of Bangladeshi strains of marine microalgae Skeletonema costatum were performed. For this, the crude oil was extracted by Soxhlet extraction method, using three most common solvent systems, pure hexane and mixture of CHCl3 : MeOH (2 : 1 and hexane : EtOH (3 : 1 one by one. Highest oil recovery (15.37% came from CHCl3 : MeOH (2 : 1 solvent system from dry biomass whereas the lowest (2.49% came from n-hexane from wet biomass. The qualitative analysis of the extracted oil by GC/MS analysis revealed that it contained significant amount of myristic acid (C14:0, palmitic acid (C16:0, stearic acid (C18:0, and palmitoleic acid (C16:1. It also indicated presence of hexadecatrienoic acid, benzenedicarboxylic acid, oleic acid, arachidonic acid, eicosapentaenoic acid (EPA, 9-Octadecenoic acid methyl ester (C19H36O2, and so forth. The obtained fatty acid profile indicates high potentiality of S. costatum species to be used as promising biofuel feedstock a little improvisation and substantially it can replace diesel in near future.

  5. Role of seminal plasma in the anti-HIV-1 activity of candidate microbicides

    Directory of Open Access Journals (Sweden)

    Li Yun-Yao

    2006-10-01

    Full Text Available Abstract Background Evaluation of microbicides for prevention of HIV-1 infection in macaque models for vaginal infection has indicated that the concentrations of active compounds needed for protection by far exceed levels sufficient for complete inhibition of infection in vitro. These experiments were done in the absence of seminal plasma (SP, a vehicle for sexual transmission of the virus. To gain insight into the possible effect of SP on the performance of selected microbicides, their anti-HIV-1 activity in the presence, and absence of SP, was determined. Methods The inhibitory activity of compounds against the X4 virus, HIV-1 IIIB, and the R5 virus, HIV-1 BaL was determined using TZM-bl indicator cells and quantitated by measuring β-galactosidase induced by infection. The virucidal properties of cellulose acetate 1,2-benzene-dicarboxylate (CAP, the only microbicide provided in water insoluble, micronized form, in the presence of SP was measured. Results The HIV-1 inhibitory activity of the polymeric microbicides, poly(naphthalene sulfonate, cellulose sulfate, carrageenan, CAP (in soluble form and polystyrene sulfonate, respectively, was considerably (range ≈ 4 to ≈ 73-fold diminished in the presence of SP (33.3%. Formulations of micronized CAP, providing an acidic buffering system even in the presence of an SP volume excess, effectively inactivated HIV-1 infectivity. Conclusion The data presented here suggest that the in vivo efficacy of polymeric microbicides, acting as HIV-1 entry inhibitors, might become at least partly compromised by the inevitable presence of SP. These possible disadvantages could be overcome by combining the respective polymers with acidic pH buffering systems (built-in for formulations of micronized CAP or with other anti-HIV-1 compounds, the activity of which is not affected by SP, e.g. reverse transcriptase and zinc finger inhibitors.

  6. Fluorescent sensing and electrocatalytic properties of three Zn(II)/Co(II) coordination complexes containing two different dicarboxylates and two various bis(pyridyl)-bis(amide) ligands

    Science.gov (United States)

    Lin, Hongyan; Rong, Xing; Liu, Guocheng; Wang, Xiang; Wang, Xiuli; Duan, Surui

    2016-09-01

    Three new transition metal(II) coordination complexes constructed from two different dicarboxylates (1,3-H2BDC = 1,3-benzenedicarboxylic acid, 1,4-H2NDC = 1,4-naphthalenedicarboxylic acid) and two bis(pyridyl)-bis(amide) ligands (3-bpcd = N,N‧-bis(3-pyridyl)cyclohexane-1,4-dicarboxamide, 3-bpod = N,N‧-bis(3-pyridyl)octandiamide), [Zn(1,3-BDC)(3-bpcd)0.5(H2O)]·H2O (1), [Zn(1,3-BDC)(3-bpod)0.5(H2O)] (2) and [Co(1,4-NDC)(3-bpod)1.5(H2O)] (3) have been synthesized in the hydrothermal environments and structurally characterized by IR, TG and single crystal X-ray diffraction. Complexes 1 and 2 possess the similar 1D ladder-like chain based on [Zn(1,3-BDC)]n zigzag chain and the bidentate ligands 3-bpcd/or 3-bpod. Complex 3 shows a 2D layered structure with a 5-connected {410} topology, which consists of 1D linear [Co(1,4-NDC)]n chain and [Co(3-bpod)1.5]n chain with alternating arrangement of 3-bpod ligands and Co2(3-bpod)2 dinuclear loops. The adjacent 1D chains for 1-2 or the 2D layers for 3 are further extended into 2D or 3D supramolecular frameworks through the hydrogen bonding interactions. Additionally, the solid state fluorescent properties for the title complexes 1-3, the fluorescent sensing behaviors of complexes 1-2 and the electrochemical behaviour of complex 3 have been investigated.

  7. Diffusion-coupled molecular assembly: structuring of coordination polymers across multiple length scales.

    Science.gov (United States)

    Hirai, Kenji; Reboul, Julien; Morone, Nobuhiro; Heuser, John E; Furukawa, Shuhei; Kitagawa, Susumu

    2014-10-22

    Porous coordination polymers (PCPs) are an intriguing class of molecular-based materials because of the designability of framework scaffolds, pore sizes and pore surface functionalities. Besides the structural designability at the molecular scale, the structuring of PCPs into mesoscopic/macroscopic morphologies has attracted much attention due to the significance for the practical applications. The structuring of PCPs at the mesoscopic/macroscopic scale has been so far demonstrated by the spatial localization of coordination reactions on the surface of templates or at the phase boundaries. However, these methodologies have never been applied to the fabrication of solid-solution or multivariate metal-organic frameworks (MOFs), in which multiple components are homogeneously mixed. Herein, we demonstrate the structuring of a box-type superstructure comprising of a solid-solution PCP by integrating a bidirectional diffusion of multiple organic ligands into molecular assembly. The parent crystals of [Zn2(ndc)2(bpy)]n were placed in the DMF solution of additional organic component of H2bdc, and the temperature was rapidly elevated up to 80 °C (ndc = 1,4-naphthalenedicarboxylate, bpy = 4,4'-bipyridyl, bdc = 1,4-benzenedicarboxylate). The dissolution of the parent crystals induced the outward diffusion of components; contrariwise, the accumulation of the other organic ligand of H2bdc induced the inward diffusion toward the surface of the parent crystals. This bidirectional diffusion of multiple components spatially localized the recrystallization at the surface of cuboid parent crystals; therefore, the nanocrystals of a solid-solution PCP ([Zn2(bdc)1.5(ndc)0.5(bpy)]n) were organized into a mesoscopic box superstructure. Furthermore, we demonstrated that the box superstructures enhanced the mass transfer kinetics for the separation of hydrocarbons.

  8. Influence of Different Organic Carboxylate Anions on the Crystal Structure of Silver(Ⅰ)Coordination Polymers

    Institute of Scientific and Technical Information of China (English)

    WANG Chong-Chen; WANG Peng; GUO Guang-Liang

    2012-01-01

    The reaction of AgNO3 , 4,4′-bipyridine (bpy) and 2,2′-bipyridine-3,3′-dicarboxylic acid (H2bpdc)/2,2′-biquinoline-4,4′-dicarboxylic acid (H2bqdc)/1,3-benzenedicarboxylic acid (H2bdc) gave rise to block-like crystals of [Ag4(bpy)2(bpdc)2]·13H2O(1), [Ag2(bpy)(bqdc)(H2O)]·4.5H2O(2) and [Ag2(bpy)2(H2O)2](bdc)·3H2O(3) by slow evaporation. All the three complexes contain sandwich-like crystal structures, in which anionic sheets built up from different anions (bpdc2- , bqdc2- and bdc2- ) and lattice water molecules via rich hydrogen-bonding interactions are inserted between the cationic silver complex layers, and the abundant Ag···Ag, Ag···N and π-π stacking interactions further strengthen the 3D frameworks. The lattice water molecules are situated among the framework of crystal structure and stabilized by rich hydrogen-bonding interactions, and lattice water molecules may play a role in the orientation of organic anions in the crystal packing. Additionally, the thermal properties of 1, 2 and 3 were also discussed in detail.

  9. Olsalazine-Based Metal-Organic Frameworks as Biocompatible Platforms for H2 Adsorption and Drug Delivery.

    Science.gov (United States)

    Levine, Dana J; Runčevski, Tomče; Kapelewski, Matthew T; Keitz, Benjamin K; Oktawiec, Julia; Reed, Douglas A; Mason, Jarad A; Jiang, Henry Z H; Colwell, Kristen A; Legendre, Christina M; FitzGerald, Stephen A; Long, Jeffrey R

    2016-08-17

    The drug olsalazine (H4olz) was employed as a ligand to synthesize a new series of mesoporous metal-organic frameworks that are expanded analogues of the well-known M2(dobdc) materials (dobdc(4-) = 2,5-dioxido-1,4-benzenedicarboxylate; M-MOF-74). The M2(olz) frameworks (M = Mg, Fe, Co, Ni, and Zn) exhibit high surface areas with large hexagonal pore apertures that are approximately 27 Å in diameter. Variable temperature H2 adsorption isotherms revealed strong adsorption at the open metal sites, and in situ infrared spectroscopy experiments on Mg2(olz) and Ni2(olz) were used to determine site-specific H2 binding enthalpies. In addition to its capabilities for gas sorption, the highly biocompatible Mg2(olz) framework was also evaluated as a platform for the delivery of olsalazine and other encapsulated therapeutics. The Mg2(olz) material (86 wt % olsalazine) was shown to release the therapeutic linker through dissolution of the framework under simulated physiological conditions. Furthermore, Mg2(olz) was used to encapsulate phenethylamine (PEA), a model drug for a broad class of bioactive compounds. Under simulated physiological conditions, Mg2(olz)(PEA)2 disassembled to release PEA from the pores and olsalazine from the framework itself, demonstrating that multiple therapeutic components can be delivered together at different rates. The low toxicity, high surface areas, and coordinatively unsaturated metal sites make these M2(olz) materials promising for a range of potential applications, including drug delivery in the treatment of gastrointestinal diseases.

  10. Self-assembly, structures and properties of three new Ni(II) coordination polymers derived from two different bis-pyridyl-bis-amide ligands and two aromatic polycarboxylates

    Indian Academy of Sciences (India)

    HONGYAN LIN; JUNJUN SUN; GUOCHENG LIU; XIANG WANG; PANWEN CHEN

    2017-01-01

    Three new Ni(II) coordination polymers exhibiting different 1D and 2D framework structures have been hydrothermally synthesized: [Ni(L ¹)(1,3-BDC)(H ₂O) ₃]•H ₂O (1), [Ni(L ¹)(1,3,5-HBTC)(H ₂O) ₃] (2), [Ni ₃ (L ²)3(1,3,5-BTC) ₂ (H ₂O)8]•12H ₂ ₂O (3) [L ¹ = N,N_-bis(pyridin-3-yl)cyclohexane-1,4-dicarboxamide, L ² = N,N’-bis(3-pyridyl)octandiamide, 1,3-H ₂BDC = 1,3-benzenedicarboxylic acid, 1,3,5-H3BTC = 1,3,5- benzenetricarboxylic acid]. X-ray single crystal diffraction analyses revealed that polymer 1 is a 2D interlaced layer based on the 1D [Ni(L ¹)(1,3-BDC)(H ₂O) ₃] meso-helical chains. Polymer 2 is a 1D wave-shaped chain derived from the 1D [Ni(L ¹)]n chain and monodentate coordinated 1,3,5-HBTC anions. Polymer 3 possesses an interesting 2D layer containing the trinuclear [Ni ₃ (1,3,5-BTC) ₂] substructural unit and 1D zigzag [Ni(L ²)]n chain, representing a 3,4-connected {6•8 ²} ₂{6 ² •8 ² • 10• 12} topology. Finally, the adjacent 1D chains or the 2D layers are connected through hydrogen bonding interactions to construct 3D supramolecular networks. Further, the thermal stability, solid state fluorescent property and photocatalytic activity of 1–3 have been investigated.

  11. GC-MS identification of chemicals in lily root exudates%百合根系分泌物的GC-MS鉴定

    Institute of Scientific and Technical Information of China (English)

    程智慧; 徐鹏

    2012-01-01

    lower than 0.20%,11 organic compounds were identified in methanol component,mainly derivatives of parabens such as 1,2-benzenedicarboxylic acid,diisooctyl ester(52.11%) and bis(2-ethylhexyl) phthalate(40.95%),and the contents of other compounds were lower than 1%.Six derivatives of parabens were identified in petroleum ether component,such as 1,2-benzenedicarboxylic acid,diisooctyl ester(88.04%),bis(2-ethylhexyl) phthalate(9.06%),and the contents of other parabens were lower than 1%.There were abundant organic compounds identified in chloroform component,totally 19 compounds included esters,aldehyde,phenol,olefin,alkane,and so on.Among them,the contents of the following compounds were over than 1%:1,2-benzenedicarboxylic acid,diisooctyl ester(39.87%),Bis(2-ethylhexyl) phthalate(39.62%),hexadecane(1.36%),2-methoxy-1-(2-nitroethenyl)-3-(phenylmethoxy)-benzene(1.22%),phenol,2,4-bis(1,1-dimethylethyl)(1.02%).The allelopathy of diethyl ether component and the ethyl acetate component were weak and the organic compounds in the two components were not further identified.【Conclusion】 The organic compounds in lily root exudates identified by GC-MS are mainly esters.The higher level compounds in all the three components are the derivatives of parabens.Also there are few aldehyde,phenol and olefin.

  12. ε-Keggin-based coordination networks: Synthesis, structure and application toward green synthesis of polyoxometalate@graphene hybrids.

    Science.gov (United States)

    Rodriguez-Albelo, L Marleny; Rousseau, Guillaume; Mialane, Pierre; Marrot, Jérôme; Mellot-Draznieks, Caroline; Ruiz-Salvador, A Rabdel; Li, Shiwen; Liu, Rongji; Zhang, Guangjin; Keita, Bineta; Dolbecq, Anne

    2012-09-07

    Four coordination networks based on the {ε-PMo(V)(8)Mo(VI)(4)O(40)(OH)(4)Zn(4)} Keggin unit (εZn) have been synthesized under hydrothermal conditions. (TBA)(3){PMo(V)(8)Mo(VI)(4)O(36)(OH)(4)Zn(4)}[C(6)H(4)(COO)(2)](2) (ε(isop)(2)) is a 2D material with monomeric εZn units connected via 1,3 benzenedicarboxylate (isop) linkers and tetrabutylammonium (TBA) counter-cations lying between the planes. In (TPA)(3){PMo(V)(8)Mo(VI)(4)O(37)(OH)(3)Zn(4)}[C(6)H(3)(COO)(3)] (TPA[ε(trim)](∞)), 1D inorganic chains formed by the connection of εZn POMs, via Zn-O bonds, are linked via 1,3,5 benzenetricarboxylate (trim) ligands into a 2D compound with tetrapropylammonium (TPA) cations as counter-cations. (TBA){PMo(V)(8)Mo(VI)(4)O(40)Zn(4)}(C(7)H(4)N(2))(2)(C(7)H(5)N(2))(2)·12H(2)O (ε(bim)(4)) is a molecular material with monomeric εZn POMs bound to terminal benzimidazole (bim) ligands. Finally, (TBA)(C(10)H(10)N(4))(2)(HPO(3)){PMo(V)(8)Mo(VI)(4)O(40)Zn(4)}(2)(C(10)H(9)N(4))(3)(C(10)H(8)N(4)) (ε(2)(pazo)(4)) is a 1D compound with dimeric (εZn)(2) POMs connected by HPO(3)(2-) ions and terminal para-azobipyridine (pazo) ligands. In this compound an unusual bond cleavage of the central N[double bond, length as m-dash]N bond of the pazo ligand is observed. We report also a green chemistry-type one-step synthesis method carried out in water at room temperature using ε(2)(pazo)(4) and ε(isop)(2) as reducing agent of graphite oxide (GO) to obtain graphene (G). The POM@G hybrids were characterized by X-ray photoelectron spectroscopy, Raman spectroscopy, powder X-ray diffraction, energy dispersive X-ray analysis, infrared spectroscopy, scanning electron microscopy, transmission electron microscopy and cyclic voltammetry.

  13. Biochemical fingerprint and pharmacological applications of Barleria noctiflora L.f. leaves.

    Science.gov (United States)

    Alagar Yadav, Sangilimuthu; Ramalingam, Sathishkumar; Jebamalairaj, Anitha; Subban, Ravi; Sundaram, Karpagavalli Mennakshi

    2016-12-01

    Background Antioxidant and antihistamine agents from Barleria noctiflora L.f. as natural source due to the existing modern medicine give various adverse effects to overcome these problems with natural products. MethodsB. noctiflora leaves extract was fractionated with column chromatography; the homogenized fractions were monitored with thin layer chromatography (TLC) and characterized by using UV-visible, FT-IR, 1H NMR, 13C NMR and mass spectrometry spectral studies. The volatile phytoconstituents of B. noctiflora extract were analysed by gas chromatography-mass spectrometry. Phytoconstituents from B. noctiflora leaves extract were screened for their antioxidant and antihistamine potential in vitro (2,2-diphenyl-1-picrylhydrazyl radical scavenging activity, 2,2'-azinobis-3-ethylbenzothiozoline-6-sulfonic acid radical decolouration assay, nitric oxide radical scavenging activity, superoxide radical scavenging activity and hydrogen peroxide radical scavenging activity) and in silico (molecular docking), respectively. Results Antioxidant and antihistamine barlerinoside has been isolated and characterized from the leaves of B. noctiflora L.f. Barlerinoside revealed their free-radical scavenging ability on OH-, OH•, NO-, O2- and H2O2 radicals and found high percentage inhibition against OH- radical at the IC50 value of 50.45±2.52  µg. The methanol (MeOH) extract of B. noctiflora leaves contains cyclotene; N,N-dimethylglycine; tetrahydrocyclopenta [1,3] dioxin-4-one; phenol, 2-methoxy-; benzofuran, 2-methyl-; 1,4:3,6-dianhydro-α-d-glucopyranose; 2-methoxy-4-vinylphenol; 1,3;2,5-dimethylene-l-rhamnitol; levoglucosan and bicyclo[2.2.2]oct-7-ene-2,5-dione as being the major compounds. Among phytoconstituents present in the extract, the hexestrol; 1,2-benzenedicarboxylic acid, bis(2-methylpropyl) ester; 1-(3,6,6-trimethyl-1,6,7,7a-tetrahydrocyclopenta[c]pyran-1-yl) ethanone; megastigmatrienone; furan interacted with histamine H1 receptor and bind at GLU-177 and ASP

  14. Synthesis, characterizations and catalytic studies of a new two-dimensional metal−organic framework based on Co–carboxylate secondary building units

    Energy Technology Data Exchange (ETDEWEB)

    Bagherzadeh, Mojtaba, E-mail: bagherzadeh@sharif.edu [Department of Chemistry, Sharif University of Technology, PO Box 11155-3516, Tehran (Iran, Islamic Republic of); Ashouri, Fatemeh [Department of Chemistry, Sharif University of Technology, PO Box 11155-3516, Tehran (Iran, Islamic Republic of); Đaković, Marijana [Department of Chemistry, Faculty of Science, University of Zagreb, Zagreb (Croatia)

    2015-03-15

    A metal–organic framework [Co{sub 3}(BDC){sub 3}(DMF){sub 2}(H{sub 2}O){sub 2}] was synthesized and structurally characterized. X-ray single crystal analysis revealed that the framework contains a 2D polymeric chain through coordination of 1,4-benzenedicarboxylic acid linker ligand to cobalt centers. The polymer crystallize in monoclinic P2{sub 1}/n space group with a=13.989(3) Å, b=9.6728(17) Å, c=16.707(3) Å, and Z=2. The polymer features a framework based on the perfect octahedral Co–O6 secondary building units. The catalytic activities of [Co{sub 3}(BDC){sub 3}(DMF){sub 2}(H{sub 2}O){sub 2}]{sub n} for olefins oxidation was conducted. The heterogeneous catalyst could be facilely separated from the reaction mixture, and reused three times without significant degradation in catalytic activity. Furthermore, no contribution from homogeneous catalysis of active species leaching into reaction solution was detected. - Graphical abstract: A metal–organic framework of [Co{sub 3}(BDC){sub 3}(DMF){sub 2}(H{sub 2}O){sub 2}] was synthesized by hydrothermal method. This 2D-periodic framework is constructed from the infinite Co–O–C secondary building units and crystallizes in the monoclinic P2{sub 1}/n space group based on Co(II)–carboxylate units. The catalytic oxidation of various olefins was effectively carried out with [Co{sub 3}(BDC){sub 3}(DMF){sub 2}(H{sub 2}O){sub 2}]{sub n} catalyst by TBHP as oxidant. - Highlights: • A metal–organic framework of [Co{sub 3}(BDC){sub 3}(DMF){sub 2}(H{sub 2}O){sub 2}] is prepared by hydrothermal method. • The [Co{sub 3}(BDC){sub 3}(DMF){sub 2}(H{sub 2}O){sub 2}]{sub n} is constructed from Co–carboxylate secondary building units. • This coordination polymer displayed high catalytic activity for olefin oxidation reactions. • The catalytic reaction is heterogeneous and catalyst can be simply separated. • The heterogeneous catalyst can be reused several times without significant loss of catalytic activity.

  15. A series of novel metal–organic coordination polymers constructed from the new 5-(4-imidazol-1-yl-phenyl)-2H-tetrazole spacer and aromatic carboxylates: Synthesis, crystal structures, and luminescence properties

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Jiayin [State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012 (China); Zhang, Daojun, E-mail: zhangdj0410@gmail.com [College of Chemistry and Chemical Engineering, Anyang Normal University, Anyang 455002 (China); Wang, Li [State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012 (China); Zhang, Renchun; Wang, Junjie; Zeng, Ying; Zhan, Jinling [College of Chemistry and Chemical Engineering, Anyang Normal University, Anyang 455002 (China); Xu, Jianing [State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012 (China); Fan, Yong, E-mail: mrfy@jlu.edu.cn [State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012 (China)

    2013-10-15

    Using bifunctional organic ligand 5-(4-imidazol-1-yl-phenyl)-2H-tetrazole (HL) and different aromatic carboxylates as secondary ligands, four novel metal-organic coordination polymers, [Zn(L)(1,4-bdc){sub 0.5}] (1), [Zn{sub 1.5}(L)(2,5-pydc)] (2), [Zn(HL)(1,2,4,5-btec){sub 0.5}] (3), and [Cd(HL)(1,2,4,5-btec){sub 0.5}] (4) (1,4-bdc, 1,4-benzenedicarboxylate; 2,5-pydc, 2,5-pyridinedicarboxylate; 1,2,4,5-btec, 1,2,4,5-benzenetetracarboxylate) have been successfully synthesized and analyzed. Compound 1 features the 2D [Zn(L)]{sub n} layers built by μ{sub 3}-L bridging ligands and Zn(II) ions, which are further linked by pillared 1,4-bdc{sup 2−} ligands to form a 2-fold interpenetrating dmc framework. The 3D network of compound 2 can be simplified as a rare 2-nodal (3,6)-connected rtl (rutile) topology. Compound 3 possesses a 2D layer structure which is accomplished by connecting ladder-chains to L ligands. Compound 4 exhibits 2D [Cd(1,2,4,5-btec)] layers with infinite Cd–O–Cd rods and the adjacent 2D networks are further pillared by L with terminal bidentate coordination mode to generate the final 3D structure. The solid-state luminescent studies show that compounds 1–4 display intense fluorescent emissions. - Graphical abstract: Using bifunctional organic ligand 5-(4-imidazol-1-yl-phenyl)-2H-tetrazole (HL) and different aromatic carboxylates as secondary ligands, four novel metal-organic coordination polymers have been obtained. All compounds show good luminescence properties at room temperature. Display Omitted - Highlights: • Four Zn(II)/Cd(II)-MOCPs have been successfully prepared with the rigid bifunctional ligand 5-(4-imidazol -1-yl-phenyl) -2H-tetrazole and different aromatic carboxylates mixed ligands. • Compound 2 is a 2-nodal rtl (rutile) net and compound 4 is a binodal (5, 6)-connected net with yav topology. • Compounds 1-4 display intense fluorescent emissions at room temperature.

  16. Ab initio investigation on hydrogen adsorption capability in Zn and Cu-based metal organic frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Tanuwijaya, V. V., E-mail: viny.veronika@gmail.com [Engineering Physics, Faculty of Industrial Technology, Institut Teknologi Bandung Jalan Ganeca 10 Gd. T.P. Rachmat, Bandung 40132 (Indonesia); Hidayat, N. N., E-mail: avantgarde.vee@gmail.com; Agusta, M. K., E-mail: kemal@fti.itb.ac.id; Dipojono, H. K., E-mail: dipojono@tf.itb.ac.id

    2015-09-30

    One of the biggest challenge in material technology for hydrogen storage application is to increase hydrogen uptake in room temperature and pressure. As a class of highly porous material, Metal-Organic Frameworks (MOF) holds great potential with its tunable structure. However, little is known about the effect of metal cluster to its hydrogen storage capability. Investigation on this matter has been carried out carefully on small cluster of Zn and Cu-based MOF using first principles method. The calculation of two distinct building units of MOFs, namely octahedral and paddle-wheel models, have been done with B3LYP density functional method using 6-31G(d,p) and LANL2DZ basis sets. From geometry optimization of Zn-based MOF linked by benzene-dicarboxylate (MOF-5), it is found that hydrogen tends to keep distance from metal cluster group and stays above benzene ring. In the other hand, hydrogen molecule prefers to stay atop of the exposed Cu atom in Cu-based MOF system linked by the same linker group (Cu-bdc). Calculated hydrogen binding enthalpies for Zn and Cu octahedral cages at ZnO{sub 3} sites are 1.64kJ/mol and 2.73kJ/mol respectively, while hydrogen binding enthalpies for Zn and Cu paddle-wheel cages calculated on top of metal atoms are found to be at 6.05kJ/mol and 6.10kJ/mol respectively. Major difference between Zn-MOF-5 and Cu-bdc hydrogen uptake performance might be caused by unsaturated metal sites present in Cu-bdc system and the influence of their geometric structures, although a small difference on binding energy in the type of transition metal used is also observed. The comparison between Zn and Cu-based MOF may contribute to a comprehensive understanding of metal clusters and the importance of selecting best transition metal for design and synthesis of metal-organic frameworks.

  17. Two-step adsorption on jungle-gym-type porous coordination polymers: dependence on hydrogen-bonding capability of adsorbates, ligand-substituent effect, and temperature.

    Science.gov (United States)

    Uemura, Kazuhiro; Yamasaki, Yukari; Onishi, Fumiaki; Kita, Hidetoshi; Ebihara, Masahiro

    2010-11-01

    A preliminary study of isopropanol (IPA) adsorption/desorption isotherms on a jungle-gym-type porous coordination polymer, [Zn(2)(bdc)(2)(dabco)](n) (1, H(2)bdc = 1,4-benzenedicarboxylic acid, dabco =1,4-diazabicyclo[2.2.2]octane), showed unambiguous two-step profiles via a highly shrunk intermediate framework. The results of adsorption measurements on 1, using probing gas molecules of alcohol (MeOH and EtOH) for the size effect and Me(2)CO for the influence of hydrogen bonding, show that alcohol adsorption isotherms are gradual two-step profiles, whereas the Me(2)CO isotherm is a typical type-I isotherm, indicating that a two-step adsorption/desorption is involved with hydrogen bonds. To further clarify these characteristic adsorption/desorption behaviors, selecting nitroterephthalate (bdc-NO(2)), bromoterephthalate (bdc-Br), and 2,5-dichloroterephthalate (bdc-Cl(2)) as substituted dicarboxylate ligands, isomorphous jungle-gym-type porous coordination polymers, {[Zn(2)(bdc-NO(2))(2)(dabco)]·solvents}(n) (2 ⊃ solvents), {[Zn(2)(bdc-Br)(2)(dabco)]·solvents}(n) (3 ⊃ solvents), and {[Zn(2)(bdc-Cl(2))(2)(dabco)]·solvents}(n) (4 ⊃ solvents), were synthesized and characterized by single-crystal X-ray analyses. Thermal gravimetry, X-ray powder diffraction, and N(2) adsorption at 77 K measurements reveal that [Zn(2)(bdc-NO(2))(2)(dabco)](n) (2), [Zn(2)(bdc-Br)(2)(dabco)](n) (3), and [Zn(2)(bdc-Cl(2))(2)(dabco)](n) (4) maintain their frameworks without guest molecules with Brunauer-Emmett-Teller (BET) surface areas of 1568 (2), 1292 (3), and 1216 (4) m(2) g(-1). As found in results of MeOH, EtOH, IPA, and Me(2)CO adsorption/desorption on 2-4, only MeOH adsorption on 2 shows an obvious two-step profile. Considering the substituent effects and adsorbate sizes, the hydrogen bonds, which are triggers for two-step adsorption, are formed between adsorbates and carboxylate groups at the corners in the pores, inducing wide pores to become narrow pores. Interestingly, such

  18. Bioactive compounds from Carissa opaca roots and xanthine oxidase and alpha-amylase inhibitory activities of their methanolic extract and its fractions in different solvents

    Directory of Open Access Journals (Sweden)

    Ramsha Saeed

    2015-01-01

    Full Text Available Background: Carissa opaca is known for its many ethnomedicinal uses. There was a need to study its bioactivities and identify its phytochemicals. Objective: The objective was to isolate and identify phytochemicals from roots of C. opaca and to evaluate xanthine oxidase (XO and alpha-amylase inhibitory activities of their methanolic extract and its fractions. Materials and Methods: Methanolic extract of finely divided powder of roots of C. opaca was obtained by cold maceration, followed by its fractionation to obtain hexane, chloroform, ethyl acetate, n-butanolic, and aqueous fractions. Phytochemicals screening was done by standard protocols. XO and alpha-amylase inhibitory activities of the methanolic extract and its fractions were studied. The most active ethyl acetate fraction was subjected to the column and thin layer chromatography to isolate its compounds, which were identified by gas chromatography-mass spectrometry and high-performance liquid chromatography comparison. Results: Methanolic extract displayed significant activity against both the enzymes with IC 50 of 156.0 mg/mL and 5.6 mg/mL for XO and alpha-amylase, respectively. Ethyl acetate fraction showed highest activity against both the enzymes with IC 50 of 129 mg/mL and 4.9 mg/mL for XO and alpha-amylase, respectively. Chloroform fraction had IC 50 of 154.2 mg/mL and 5.5 mg/mL for XO and alpha-amylase, respectively. Aqueous fraction exhibited significant efficacy against alpha-amylase (IC 50 5.0 mg/mL. Hexane fraction showed good activity against alpha-amylase in a dose-dependent manner but exhibited opposite trend against XO. The compounds isolated from ethyl acetate fraction included limonene, vanillin, lupeol, rutin, quercetin, b-sitosterol, Vitamin E, 2-hydroxyacetophenone, naphthalenone, 2,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl-6-methylenecyclohexanone, and 2-benzenedicarboxylic acid, mono(2-ethylhexyl ester. Conclusions: Moderately polar phytochemicals of C. opaca roots

  19. Characterization of cytotoxic compound from marine sediment derived actinomycete Streptomyces avidinii strain SU4

    Institute of Scientific and Technical Information of China (English)

    Sudha; S; Masilamani; Selvam; M

    2012-01-01

    Objective:To investigate the cytotoxic activity of actinomycete isolated from marine sediment.Methods:In the present study the DNA was isolated and the ITS region of 16s rRNA was amplified by polymerase chain reaction,using two universal bacterial primers,1492K(5’-GGTTACCTTG’TTAC GACTT-3’)and Eubac27F(5’-AGAGTTTGATCCTGGCTC AG-3’).The amplified products were purified using TIANgel mini purification kit,ligated to MD18-T simple vector(TaKaRa),and transformed into competent cells of Escherichia coli DH5α.16S rRNA gene fragment was sequenced using forward primer M13F(-47)and reverse primer M13R(-48).Blast search sequence similarity was found against the existing non-redundanl nucleotide sequence database thus,identified as Streptomyces sp SU,Streptomyces rubralavandulae strain SU1,Streptomyces cacaoi strain SU2,Streptomyces cavourensis strain SU3,Streptomyces avidinii strain SU4,Streptomyces globisporus strain SU5,Streptomyces variabilis strain SU6,Streptomyces coelicolor strain SU 7.Among the eight identified isolates,one actinomycete Streptomyces avidinii strain SU4 was selected for further study.Results:Crude extract of the actinomycete isolate exhibited IC50in 64.5μg against Hep-2 cell line,250μg in VERO cell line.This value is very close to the criteria of cytotoxicity activity for the crude extracts,as established by the American National Cancer Institute(NCI)is in IC50<30μg/mL.The CC MS analysis showed that the active principle might be 1,2-benzenedicarboxylic acid,bis(2-methylpropyl)ester(12.17%),isooctyl phthalate(15.29%)with the retention time 15.642 and 21.612,respectively.Conclusions:This study clearly proves that the marine sediment derived actinomycetes with bioactive metabolites can be expected to provide high quality biological material for high throughout biochemical and anticancer screening programs.These results help us to conclude that the potential of using metabolic engineering and post genomic

  20. Studies on the Chemical Constituents of the Soft Coral Sinularia sp. from the South China Sea%中国南海短指软珊瑚中化学成分的研究

    Institute of Scientific and Technical Information of China (English)

    王长云; 刘海燕; 孙雪萍; 李秀保; 孙玲玲; 刘新; 邵长伦; 管华诗

    2009-01-01

    运用硅胶柱层析、Sephadex LH-20凝胶柱层析和HPLC等技术,采用活性追踪分离的方法,对南海短指软珊瑚Sinularia sp.的化学成分进行了研究.从乙醇提取物中分离获得单体化合物,运用NMR,MS等波谱技术鉴定了8个化合物的结构,分别为:3β-羟基-24-亚甲基胆甾-5-烯-7-酮(1),孕甾烯醇酮(2),cembrene A(3),epoxycembrane A(4),4,8,12-trimethyl-1-(1-methylethenyl)-3,7-cyclotetradecadien-10-one(5),(3E,7E,11E)-11,12-dihydroxy-1-isopropyl-4,8,12-trimethyicyclotetradeca-1,3,7-triene(6),邻苯二甲酸二丁酯(7)和十九烷-2-酮(8).化合物5和8为首次从珊瑚动物中分离得到,6为首次从短指软珊瑚属中分离得到.化合物3和4显示较强的卤虫致死活性.西松烷二萜类化合物是该短指软珊瑚中的重要活性成分.%The chemical constituents of soft coral Sinularia sp. from the South China Sea were investigated by bioassay-guided fractionation. The ethanolic extract was separated by repeated column chromatography on silica gel and Sephadex LH-20 and HPLC to obtain eight compounds. Their structures were elucidated as 3β-hydroxy-24-methylenecholest-5-en-7-one(1), pregnenolone(2), cembrene A(3), epoxycembrane A(4), 4, 8, 12-trimethyl-1-(1-methylethenyl)-3, 7-cyclotetradecadien-10-one(5), (3E,7E,11E)-11,12-dihydroxy-1-isopropyl-4, 8,12-trimethyicyclotetradeca-1, 3, 7-triene(6), 1, 2-benzenedicarboxylic acid, isobutyl ester(7) and 2-nonadecanone(8), respectively, on the basis of their spectroscopic data including NMR and MS. Compounds 5 and 8 were isolated from corals for the first time, and compound 6 was firstly isolated from the genus of Sinularia. Compounds 3 and 4 exhibited high lethal rates to brine shrimp Artemia salina. Cembrane-type diterpenoids were deduced as important bioactive compounds in the soft coral Sinularia sp.

  1. Expanded organic building units for the construction of highly porous metal-organic frameworks.

    Science.gov (United States)

    Kong, Guo-Qiang; Han, Zhi-Da; He, Yabing; Ou, Sha; Zhou, Wei; Yildirim, Taner; Krishna, Rajamani; Zou, Chao; Chen, Banglin; Wu, Chuan-De

    2013-10-25

    Two new organic building units that contain dicarboxylate sites for their self-assembly with paddlewheel [Cu2(CO2)4] units have been successfully developed to construct two isoreticular porous metal-organic frameworks (MOFs), ZJU-35 and ZJU-36, which have the same tbo topologies (Reticular Chemistry Structure Resource (RCSR) symbol) as HKUST-1. Because the organic linkers in ZJU-35 and ZJU-36 are systematically enlarged, the pores in these two new porous MOFs vary from 10.8 Å in HKUST-1 to 14.4 Å in ZJU-35 and 16.5 Å in ZJU-36, thus leading to their higher porosities with Brunauer-Emmett-Teller (BET) surface areas of 2899 and 4014 m(2) g(-1) for ZJU-35 and ZJU-36, respectively. High-pressure gas-sorption isotherms indicate that both ZJU-35 and ZJU-36 can take up large amounts of CH4 and CO2, and are among the few porous MOFs with the highest volumetric storage of CH4 under 60 bar and CO2 under 30 bar at room temperature. Their potential for high-pressure swing adsorption (PSA) hydrogen purification was also preliminarily examined and compared with several reported MOFs, thus indicating the potential of ZJU-35 and ZJU-36 for this important application. Studies show that most of the highly porous MOFs that can volumetrically take up the greatest amount of CH4 under 60 bar and CO2 under 30 bar at room temperature are those self-assembled from organic tetra- and hexacarboxylates that contain m-benzenedicarboxylate units with the [Cu2(CO2)4] units, because this series of MOFs can have balanced porosities, suitable pores, and framework densities to optimize their volumetric gas storage. The realization of the two new organic building units for their construction of highly porous MOFs through their self-assembly with [Cu2(CO2)4] units has provided great promise for the exploration of a large number of new tetra- and hexacarboxylate organic linkers based on these new organic building units in which different aromatic backbones can be readily incorporated

  2. Porous metal-organic frameworks for heterogeneous biomimetic catalysis.

    Science.gov (United States)

    Zhao, Min; Ou, Sha; Wu, Chuan-De

    2014-04-15

    Metalloporphyrins are the active sites in monooxygenases that oxidize a variety of substrates efficiently and under mild conditions. Researchers have developed artificial metalloporphyrins, but these structures have had limited catalytic applications. Homogeneous artificial metalloporphyrins can undergo catalytic deactivation via suicidal self-oxidation, which lowers their catalytic activity and sustainability relative to their counterparts in Nature. Heme molecules in protein scaffolds can maintain high efficiency over numerous catalytic cycles. Therefore, we wondered if immobilizing metalloporphyrin moieties within porous metal-organic frameworks (MOFs) could stabilize these structures and facilitate the molecular recognition of substrates and produce highly efficient biomimetic catalysis. In this Account, we describe our research to develop multifunctional porphyrinic frameworks as highly efficient heterogeneous biomimetic catalysts. Our studies indicate that porous porphyrinic frameworks provide an excellent platform for mimicking the activity of biocatalysts and developing new heterogeneous catalysts that effect new chemical transformations under mild conditions. The porous structures and framework topologies of the porphyrinic frameworks depend on the configurations, coordination donors, and porphyrin metal ions of the metalloporphyrin moieties. To improve the activity of porous porphyrinic frameworks, we have developed a two-step synthesis that introduces the functional polyoxometalates (POMs) into POM-porphyrin hybrid materials. To tune the pore structures and the catalytic properties of porphyrinic frameworks, we have designed metalloporphyrin M-H8OCPP ligands with four m-benzenedicarboxylate moieties, and introduced the secondary auxiliary ligands. The porphyrin metal ions and the secondary functional moieties that are incorporated into porous metal-organic frameworks greatly influence the catalytic properties and activities of porphyrinic frameworks in

  3. Reversible CO binding enables tunable CO/H₂ and CO/N₂ separations in metal-organic frameworks with exposed divalent metal cations.

    Science.gov (United States)

    Bloch, Eric D; Hudson, Matthew R; Mason, Jarad A; Chavan, Sachin; Crocellà, Valentina; Howe, Joshua D; Lee, Kyuho; Dzubak, Allison L; Queen, Wendy L; Zadrozny, Joseph M; Geier, Stephen J; Lin, Li-Chiang; Gagliardi, Laura; Smit, Berend; Neaton, Jeffrey B; Bordiga, Silvia; Brown, Craig M; Long, Jeffrey R

    2014-07-30

    Six metal-organic frameworks of the M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Zn; dobdc(4-) = 2,5-dioxido-1,4-benzenedicarboxylate) structure type are demonstrated to bind carbon monoxide reversibly and at high capacity. Infrared spectra indicate that, upon coordination of CO to the divalent metal cations lining the pores within these frameworks, the C-O stretching frequency is blue-shifted, consistent with nonclassical metal-CO interactions. Structure determinations reveal M-CO distances ranging from 2.09(2) Å for M = Ni to 2.49(1) Å for M = Zn and M-C-O angles ranging from 161.2(7)° for M = Mg to 176.9(6)° for M = Fe. Electronic structure calculations employing density functional theory (DFT) resulted in good agreement with the trends apparent in the infrared spectra and crystal structures. These results represent the first crystallographically characterized magnesium and zinc carbonyl compounds and the first high-spin manganese(II), iron(II), cobalt(II), and nickel(II) carbonyl species. Adsorption isotherms indicate reversible adsorption, with capacities for the Fe, Co, and Ni frameworks approaching one CO per metal cation site at 1 bar, corresponding to loadings as high as 6.0 mmol/g and 157 cm(3)/cm(3). The six frameworks display (negative) isosteric heats of CO adsorption ranging from 52.7 to 27.2 kJ/mol along the series Ni > Co > Fe > Mg > Mn > Zn, following the Irving-Williams stability order. The reversible CO binding suggests that these frameworks may be of utility for the separation of CO from various industrial gas mixtures, including CO/H2 and CO/N2. Selectivities determined from gas adsorption isotherm data using ideal adsorbed solution theory (IAST) over a range of gas compositions at 1 bar and 298 K indicate that all six M2(dobdc) frameworks could potentially be used as solid adsorbents to replace current cryogenic distillation technologies, with the choice of M dictating adsorbent regeneration energy and the level of purity of the resulting gases.

  4. Ab initio investigation on hydrogen adsorption capability in Zn and Cu-based metal organic frameworks

    Science.gov (United States)

    Tanuwijaya, V. V.; Hidayat, N. N.; Agusta, M. K.; Dipojono, H. K.

    2015-09-01

    One of the biggest challenge in material technology for hydrogen storage application is to increase hydrogen uptake in room temperature and pressure. As a class of highly porous material, Metal-Organic Frameworks (MOF) holds great potential with its tunable structure. However, little is known about the effect of metal cluster to its hydrogen storage capability. Investigation on this matter has been carried out carefully on small cluster of Zn and Cu-based MOF using first principles method. The calculation of two distinct building units of MOFs, namely octahedral and paddle-wheel models, have been done with B3LYP density functional method using 6-31G(d,p) and LANL2DZ basis sets. From geometry optimization of Zn-based MOF linked by benzene-dicarboxylate (MOF-5), it is found that hydrogen tends to keep distance from metal cluster group and stays above benzene ring. In the other hand, hydrogen molecule prefers to stay atop of the exposed Cu atom in Cu-based MOF system linked by the same linker group (Cu-bdc). Calculated hydrogen binding enthalpies for Zn and Cu octahedral cages at ZnO3 sites are 1.64kJ/mol and 2.73kJ/mol respectively, while hydrogen binding enthalpies for Zn and Cu paddle-wheel cages calculated on top of metal atoms are found to be at 6.05kJ/mol and 6.10kJ/mol respectively. Major difference between Zn-MOF-5 and Cu-bdc hydrogen uptake performance might be caused by unsaturated metal sites present in Cu-bdc system and the influence of their geometric structures, although a small difference on binding energy in the type of transition metal used is also observed. The comparison between Zn and Cu-based MOF may contribute to a comprehensive understanding of metal clusters and the importance of selecting best transition metal for design and synthesis of metal-organic frameworks.

  5. Understanding Hydrogen Sorption in In- soc -MOF: A Charged Metal-Organic Framework with Open-Metal Sites, Narrow Channels, and Counterions

    KAUST Repository

    Pham, Tony

    2015-03-04

    © 2015 American Chemical Society. Grand canonical Monte Carlo (GCMC) simulations of hydrogen sorption were performed in In-soc-MOF, a charged metal-organic framework (MOF) that contains In3O trimers coordinated to 5,5′-azobis(1,3-benzenedicarboxylate) linkers. The MOF contains nitrate counterions that are located in carcerand-like capsules of the framework. This MOF was shown to have a high hydrogen uptake at 77 K and 1.0 atm. The simulations were performed with a potential that includes explicit many-body polarization interactions, which were important for modeling gas sorption in a charged/polar MOF such as In-soc-MOF. The simulated hydrogen sorption isotherms were in good agreement with experiment in this challenging platform for modeling. The simulations predict a high initial isosteric heat of adsorption, Qst, value of about 8.5 kJ mol-1, which is in contrast to the experimental value of 6.5 kJ mol-1 for all loadings. The difference in the Qst behavior between experiment and simulation is attributed to the fact that, in experimental measurements, the sorbate molecules cannot access the isolated cages containing the nitrate ions, the most energetically favorable site in the MOF, at low pressures due to an observed diffusion barrier. In contrast, the simulations were able to capture the sorption of hydrogen onto the nitrate ions at low loading due to the equilibrium nature of GCMC simulations. The experimental Qst values were reproduced in simulation by blocking access to all of the nitrate ions in the MOF. Furthermore, at 77 K, the sorbed hydrogen molecules were reminiscent of a dense fluid in In-soc-MOF starting at approximately 5.0 atm, and this was verified by monitoring the isothermal compressibility, βT, values. The favorable sites for hydrogen sorption were identified from the polarization distribution as the nitrate ions, the In3O trimers, and the azobenzene

  6. Influence of Agathi grandiflora active principles inhibit viral multiplication and stimulate immune system in Indian white shrimp Fenneropenaeus indicus against white spot syndrome virus infection.

    Science.gov (United States)

    Bindhu, Francis; Velmurugan, Subramanian; Donio, Mariathason Birdilla Selva; Michaelbabu, Mariavincent; Citarasu, Thavasimuthu

    2014-12-01

    Five herbs including Adathoda vasica, Agathi grandiflora, Leucas aspera, Psoralea corylifolia, and Quercus infectoria were selected to screen the antiviral and immunostimulant activity against white spot syndrome virus (WSSV) and Vibrio harveyi respectively using different organic polar and non-polar solvents. Based on the initial screening results, ethyl acetate and methanolic extracts of A. grandiflora had strong antiviral and immunostimulant activities. Those extracts incubated with WSSV injected Fenneropenaeus indicus got only 20% mortality and no PCR positive signals were seen in two step PCR amplification. The methanolic extracts of A. grandiflora were further purified through silica column chromatography and the fractions screened again for antiviral and immunostimulant activity. The secondary screening results revealed that, the fractions of F5 to F7 had effectively controlled the WSSV multiplication and V. harveyi growth. The pooled fractions (F5 to F7) was structurally characterized by gas chromatograph-mass spectrometry (GC-MS) analysis and few compounds were identified including 3,7.11,15-Tetramethyl-2-Hexane-1-ol, pytol and 1,2-Benzenedicarboxylic acid, diisooctyl ester. The pooled fractions were mixed with the basal feed ingredients at the concentration of 100 (D-1), 200 (D-2), 300 (D-3) and 400 (D-4) mg kg(-1) and the diets fed to the F. indicus (9.0 ± 0.5 g) for 30 days. After the completion of feeding trail, they were challenged with virulent WSSV and studied the cumulative mortality, molecular diagnosis by quantitative real time PCR (qRT-PCR), biochemical, haematological and immunological parameters. The control diet fed F. indicus succumbed to death 100% within 3 days whereas the D-3 and D-4 helped to reduced the cumulative mortality of 60-80% respectively. The qRT-PCR revealed that, the WSSV copy number was gradually decreased when increasing concentration of A. grandiflora extract active fraction in the diets. The diets D-3 and D-4 helped to

  7. Characterization of cytotoxic compound from marine sediment derived actinomycete Streptomyces avidinii strain SU4

    Institute of Scientific and Technical Information of China (English)

    Sudha S; Masilamani Selvam M

    2012-01-01

    To investigate the cytotoxic activity of actinomycete isolated from marine sediment. Methods: In the present study the DNA was isolated and the ITS region of 16s rRNA was amplified by polymerase chain reaction, using two universal bacterial primers, 1492R (5′-GGTTACCTTGTTAC GACTT-3′) and Eubac27F (5′-AGAGTTTGATCCTGGCTC AG-3′). The amplified products were purified using TIANgel mini purification kit, ligated to MD18-T simple vector (TaKaRa), and transformed into competent cells of Escherichia coli DH5α. 16S rRNA gene fragment was sequenced using forward primer M13F (-47) and reverse primer M13R (-48). Blast search sequence similarity was found against the existing non-redundant nucleotide sequence database thus, identified as Streptomyces sp SU, Streptomyces rubralavandulae strain SU1, Streptomyces cacaoi strain SU2, Streptomyces cavourensis strain SU3, Streptomyces avidinii strain SU4, Streptomyces globisporus strain SU5, Streptomyces variabilis strain SU6, Streptomycescoelicolor strain SU 7. Among the eight identified isolates, one actinomycete Streptomyces avidinii strain SU4 was selected for further study. Results: Crude extract of the actinomycete isolate exhibited IC50 in 64.5 μg against Hep-2 cell line, 250 μg in VERO cell line. This value is very close to the criteria of cytotoxicity activity for the crude extracts, as established by the American National Cancer Institute (NCI) is in IC50 < 30 μg /mL. The GC MS analysis showed that the active principle might be 1,2-benzenedicarboxylic acid, bis(2-methylpropyl) ester (12.17%), isooctyl phthalate (15.29%) with the retention time 15.642 and 21.612, respectively. Conclusions: This study clearly proves that the marine sediment derived actinomycetes with bioactive metabolites can be expected to provide high quality biological material for high throughout biochemical and anticancer screening programs. These results help us to conclude that the potential of using metabolic engineering and post genomic

  8. Syntheses, structures and photoelectric properties of a series of Cd(II)/Zn(II) coordination polymers and coordination supramolecules

    Energy Technology Data Exchange (ETDEWEB)

    Jin Jing; Han Xiao; Meng Qin; Li Dan; Chi Yuxian [School of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029 (China); Niu Shuyun, E-mail: syniu@sohu.com [School of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029 (China)

    2013-01-15

    Five Cd(II)/Zn(II) complexes [Cd(1,2-bdc)(pz){sub 2}(H{sub 2}O)]{sub n} (1), [Cd1Cd2(btec)(H{sub 2}O){sub 6}]{sub n} (2), [Cd(3,4-pdc) (H{sub 2}O)]{sub n} (3), [Zn(2,5-pdc)(H{sub 2}O){sub 4}]{center_dot}2H{sub 2}O (4) and {l_brace} [Zn(2,5-pdc)(H{sub 2}O){sub 2}]{center_dot}H{sub 2}O{r_brace} {sub n} (5) (H{sub 2}bdc=1,2-benzenedicarboxylic acid, pz=pyrazole, H{sub 4}btec=1,2,4,5-benzenetetracarboxylic acid, H{sub 2}pdc=pyridine-dicarboxylic acid) were hydrothermally synthesized and characterized by single-crystal X-ray diffraction, surface photovoltage spectroscopy, XRD, TG analysis, IR and UV-vis spectra and elemental analysis. Structural analyses show that complexes 1-3 are 1D, 2D and 3D Cd(II) coordination polymers, respectively. Complex 4 is a mononuclear Zn(II) complex. Complex 5 is a 3D Zn(II) coordination polymer. The surface photoelectric properties of complexes were investigated by SPS. The results indicate that all complexes exhibit photoelectric responses in the range of 300-600 nm, which reveals that they all possess certain photoelectric conversion properties. By the comparative analyses, it can be found that the species and coordination micro-environment of central metal ion, the species and property of ligands affect the intensity and scope of photoelectric response. - Graphical abstract: Five Cd(II)/Zn(II) complexes have been hydrothermally synthesized and characterized. The photoelectric properties were studied with SPS. The species and coordination micro-environment of central metal ion, the species and property of ligands all affect the photoelectric responses. Highlights: Black-Right-Pointing-Pointer Five Cd/Zn complexes have been synthesized and characterized. Black-Right-Pointing-Pointer The SPS results indicate they possess obvious photoelectric conversion property. Black-Right-Pointing-Pointer The species and coordination environment of central metal ion affect SPS. Black-Right-Pointing-Pointer The species and property of ligands affect SPS

  9. 贯叶金丝桃化学成分研究%Chemical constituents from Hypericum perforatum

    Institute of Scientific and Technical Information of China (English)

    马洁; 杨建波; 吉腾飞; 王爱国; 苏亚伦

    2012-01-01

    Objective: To study the chemical constituents from Hypericum perforatum. Method: Compouds were isolated by chromatographic techniques. Their structures were identified by spectral methods. The inhibitory activity of recombinant human PTP1B was evaluated. Result: Nine compounds were elucidated as D-Mannitol (1) ,1,2-benzenedicarboxylic acid bis(1-methylpropyl) ester (2),(7E,6R,9S)-9-hydroxy-4,7-megastigmadien-3-one (3),(6S,9R) -roseoside (4),2,6-dimethoxy-4-hydroquinone-l-O-β-D-glucopyranoside (5),2,6-di-methoxy-4-hydroxybenzyl alcohol 1 -O-β-D-glucopyranoside (6),syringate 4-O-β-glucopyranoside (7),hypericin (8),skyrin-6-O-β-D-glucopyranoside (9),(R) -2 ,3-dihydroxypropyl 3 ,4-dihydroxy-benzoate (10). At a concentration of 2 μnol · L-1 ,compound 8 inhibited recombinant human PTP1B with inhibitory rate of 96. 4% and IC50 of 2. 5 μmol · L -1. Conclusion: compound 10 was new,compounds 2-4,7 were obtained from Hypericum for the first time and compounds 5-6 was isolated from this plant for the first time. Compound 8 showed remarkable PTP1B inhibitory activity.%目的:研究贯叶金丝桃Hypericum perforatum的化学成分.方法:通过各种柱色谱进行分离纯化,根据理化性质和波谱数据对所得化合物进行结构鉴定;测定化合物对基因重组人PTPI B的抑制率.结果:从中分离并鉴定了10个化合物:D-甘露醇(1),邻苯二甲酸二异丁酯(2),(7E,6R,9S)-9-hydroxy-4,7-megastigmadien-3-one(3),(6S,9R) -roseoside (4),2,6-dimethoxy-4- hydroquinone-1-O-β-D-glucopyranoside(5),2,6-dimethoxy-4-hydroxybenzyl alcohol 1-O-β-D-glueopyranoside(6),syringate 4-O-β-glucopyranoside(7),金丝桃素(8),skyrin-6-O-β-D-glucopyranoside(9),(R)-3,4-二羟基-苯甲酸-1′-丙三醇酯(10).在2μmol·L-1时,化合物9对基因重组人PTP1B的抑制率为96.4%,IC50为2.5 μmol·L-1.结论:化合物10为新化合物,化合物2~4,7为首次从该属中分离得到,化合物5,6从该植物中首次得到.体外活性筛选表明化合物8

  10. Degradation of ciprofloxacin by UV/H2O2 process%UV/H2O2工艺降解环丙沙星的研究

    Institute of Scientific and Technical Information of China (English)

    袁芳; 胡春; 李礼

    2011-01-01

    The degradation of ciprofloxacin in UV/H2O2 process was investigated with a low-pressure UV lamp system.The influence of initial pH values,H2O2 concentration and water quality was discussed;the degradation products of ciprofloxacin were also analyzed.Results show that ciprofloxacin displays a pH-dependent degradation and the neutral condition is more favorable.Reaction rates increased with the increasing of H2O2 concentration,and the optimal H2O2/ciprofloxacin molar ratio at which the highest reaction rate constant is reached is 2 000.In UV direct photolysis,degradation rates of ciprofloxacin in natural water are higher than those in ultrapure water;while in UV/H2O2 process,the degradation rates in natural water are lower than those in ultrapure water.Moreover,several degradation products such as propanedioic acid,glycerin,1,4-benzenedicarboxylic acid,and some aliphatic acids etc.forming in the degradation of ciprofloxacin in UV/H2O2 process are identified by GC-MS.%采用UV/H2O2工艺去除水体中的喹诺酮类抗生素环丙沙星(CIP)。考察了溶液pH值、H2O2投加量以及水体基质对环丙沙星降解效率的影响,分析了降解产物的生成情况。研究表明,环丙沙星的降解符合拟一级反应动力学模型。降解速率受溶液pH值的影响,酸性及中性条件,有利于环丙沙星的降解。H2O2投加量的增大,使得降解速率逐渐增大,但速率增幅逐渐变缓;最佳H2O2/环丙沙星摩尔比为2 000。实际水体中存在的NOM、NO3-,促进了单独UV作用下,环丙沙星的降解。水体中的.OH焠灭剂,抑制了UV/H2O2联合作用下,环丙沙星的降解;实际水体中的光解速率常数低于超纯水中的光解速率常数。GC-MS分析表明,UV/H2O2工艺,使环丙沙星氧化降解生成氨基乙酸、丙二酸、丙三醇和对苯二甲酸等小分子有机物。

  11. Synthesis, crystal structures and luminescent properties of zinc(II) metal–organic frameworks constructed from terpyridyl derivative ligand

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Xiao-Le; Shangguan, Yi-Qing; Hu, Huai-Ming, E-mail: ChemHu1@NWU.EDU.CN; Xu, Bing; Wang, Bao-Cheng; Xie, Juan; Yuan, Fei; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin

    2014-08-15

    Five zinc(II) metal–organic frameworks, [Zn{sub 3}(344-pytpy){sub 2}Cl{sub 6}]{sub n}·n(H{sub 2}O) (1), [Zn(344-pytpy)(ox)]{sub n} (2), [Zn{sub 2}(344-pytpy)(bdc){sub 2}]{sub n}·1.5n(H{sub 2}O) (3), [Zn{sub 2}(344-pytpy){sub 2} (sfdb){sub 2}]{sub n}·1.5n(H{sub 2}O) (4) and [Zn{sub 3}(344-pytpy){sub 2}(btc){sub 2}]{sub n}·2n(H{sub 2}O) (5), (344-pytpy=4′-(3-pyridyl)-4,2′:6′,4″-terpyridine, H{sub 2}ox=oxalic acid, H{sub 2}bdc=1,4-benzenedi-carboxylic acid, H{sub 2}sfdb=4,4′-sulfonyldibenzoic acid and H{sub 3}btc=1,3,5-benzene-tricarboxylic acid) have been prepared by hydrothermal reactions. Compound 1 is a 1D chain structure, in which 344-pytpy ligand links three Zn{sup II} centers through three of terminal N-donors. Compound 2 is a 4-connected 3D framework with the dia topological net and the Schläfli symbol of 6{sup 6}. Compound 3 displays a unusual 3-fold interpenetrating 3D coordination network which exhibits a new intriguing (3,3,4)-connected topological net with the Schläfli symbol of (4.8{sup 2})(4.8{sup 5})(8{sup 3}). Compound 4 features a two-fold interpenetrating 4-connected 2D framework with the sql topological net and the Schläfli symbol of (4{sup 4}.6{sup 2}). Compound 5 is a new self-interpenetrating (3,3,4,4)-connected topological net with the Schläfli symbol of (6.8{sup 2}){sub 2}(6{sup 2}.8{sup 2}.10.12)(6{sup 2}.8{sup 3}.10){sub 2}(6{sup 2}.8){sub 2}. The luminescence properties of 1–5 have been investigated by emission spectra and they possess great thermal stabilities which can be stable up to around 400 °C. - Graphical abstract: Five new Zn(II) metal–organic frameworks based on dicarboxylate and terpyridyl derivative ligands have been synthesized by hydrothermal reactions, giving networks from 1D to 3D structures. The thermal stability and luminescent property have been investigated. - Highlights: • Five zinc(II) metal–organic frameworks have been prepared under hydrothermal conditions. • Their crystal and

  12. Two new dysprosium–organic frameworks contaning rigid dicarboxylate ligands: Synthesis and effect of solvents on the luminescent properties

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Huijie; Fan, Ruiqing, E-mail: fanruiqing@hit.edu.cn; Chen, Wei; Zheng, Xubin; Li, Kai; Wang, Ping; Yang, Yulin

    2013-11-15

    Two new two–dimensional (2D) dysprosium coordination polymers [Dy(2,4′-bpdc)(DMF){sub 2}(NO{sub 3})]{sub n} (1) and {[Dy(2,4′–bpdc)(1,4-BDC)_0_._5(DMF)(H_2O)]·1.5H_2O}{sub n} (2) (2,4′-H{sub 2}bpdc=2,4′–biphenyldicarboxylic acid, 1,4-H{sub 2}BDC=1,4–benzenedicarboxylic acid, DMF=N,N′-dimethylformamide) were synthesized under solvothermal condition and stucturally characterized by means of single-crystal X-ray diffraction, IR spectroscopy, and elemental analysis. Single-crystal X-ray analysis revealed that the two coordination polymers possess two types of 2D layered structures. From the viewpoint of network topology, the structures of 1 and 2 can be simplified as (4,4) network. We discuss the effect of solvents and temperature on luminescence properties. The fluorescence spectra of 1 at room temperature and 77 K in the solid-state are almost the same, except the stronger emission intensities derived from ligand–centered at 77 K. It is because the quenching by O3H oscillators was protected at low temperature. Coordination polymer 2 displays characteristic Dy{sup 3+} ion yellow–green luminescence under 290 nm excitation in DMSO (dimethyl sulfoxide), CH{sub 3}CN, and CH{sub 3}OH solvents. The fluorescence intensities of 2 increased in the order of DMSO>CH{sub 3}CN>CH{sub 3}OH. We also studied the fluorescence lifetimes of 1 and 2, and the results revealed that the lifetime in DMSO solvent at room temperature reached to 9.53 μs. Compared with the dysprosium coordination polymers, coordination polymer 2 presents a longer lifetime. Additionally, we calculate the triplet state T{sub 1} datum from the emission spectrum of the Gd{sup 3+} coordination polymer and discuss the energy transfer mechanisms. The energy transfer process from the lowest triplet state energy level of 2,4′-H{sub 2}bpdc ligand to the {sup 4}F{sub 9/2} state energy level of Dy{sup 3+} ion is inefficient for both 1 and 2. The energy transfer process is effective after we

  13. Synthesis, crystal structure and luminescence of a one-dimensional cadmium ( Ⅱ ) coordination polymer%一维链状Cd(Ⅱ)配位聚合物的合成、晶体结构及荧光性质

    Institute of Scientific and Technical Information of China (English)

    刘海燕; 孙红梅; 乔秀丽; 迟云超; 王广慧

    2011-01-01

    由Cd(CH3COO)2、间苯二甲酸(H2L)和柔性含氮配体2,2′-二[2-(2-吡啶)苯并咪唑]乙醚(bpb)反应,得了一种新型配合物[Cd2( L)2 (bpb)],通过元素分析、红外光谱和X-单晶衍射等对配合物的结构进行了表征.结果表明配合物属单斜晶系,空间群P2/c,晶胞参数a=0.931 8(5),b=1.076 7(5),c=1.9004(5) nm,β=96.258(5)°,V= 1.895 3(14) nm3,Z=2,F(000)=1 012,Dc=1.776 g/cm3,R1 =0.045 0,wR2= 0.080 5[I> 2σ(Ⅰ)].配合物中Cd离子被L2-阴离子连接成一维的链状结构,中性bpb配体建立一个“U”型的构型,依次配位于链的两侧.最终这些链通过π…π的相互作用形成三维超分子结构.此外,还研究了该化合物在室温下的固体荧光性质.%A new complex [Cd2(L)2(bpb)] was synthesized using m-benzenedicarboxylate acid (H2L) ,2,2'-bis[2-(2-pyridyl)benzimidazole]ether (bpb),and Cd(CH3COO)2.Its structure has been determined by single crystal Xray diffraction analysis and further characterized by elemental analysis and IR spectrum. This complex belongs to monochrac system,space group P2/c with a =0.931 8(5), 6 = 1.076 7(5),c = 1.900 4(5) nm,β = 96.258 (5)°, V= 11.895 3(14) nm3,Z = 2,F(000) = 1012,Dc = 1.776g/cm3,R1=0.045 0,wR2 = 0.080 5 [I>2σ ( Ⅰ )] .In complex,the Cd (Ⅱ) cations are linked by the L2-r anions to form a ones-dimensional chain structure. The bpb ligand exhibits a "U-shaped" conformation,attaching to both sides of the chain. Finally, the chains are extended into a three-dimensional supramolecular structure through n-iz interactions. In addition,the luminescent property of complex is also discussed in the solid state at room temperature.

  14. Modeling of catalytically active metal complex species and intermediates in reactions of organic halides electroreduction.

    Science.gov (United States)

    Lytvynenko, Anton S; Kolotilov, Sergey V; Kiskin, Mikhail A; Eremenko, Igor L; Novotortsev, Vladimir M

    2015-02-28

    The results of quantum chemical modeling of organic and metal-containing intermediates that occur in electrocatalytic dehalogenation reactions of organic chlorides are presented. Modeling of processes that take place in successive steps of the electrochemical reduction of representative C1 and C2 chlorides - CHCl3 and Freon R113 (1,1,2-trifluoro-1,2,2-trichloroethane) - was carried out by density functional theory (DFT) and second-order Møller-Plesset perturbation theory (MP2). It was found that taking solvation into account using an implicit solvent model (conductor-like screening model, COSMO) or considering explicit solvent molecules gave similar results. In addition to modeling of simple non-catalytic dehalogenation, processes with a number of complexes and their reduced forms, some of which were catalytically active, were investigated by DFT. Complexes M(L1)2 (M = Fe, Co, Ni, Cu, Zn, L1H = Schiff base from 2-pyridinecarbaldehyde and the hydrazide of 4-pyridinecarboxylic acid), Ni(L2) (H2L2 is the Schiff base from salicylaldehyde and 1,2-ethylenediamine, known as salen) and Co(L3)2Cl2, representing a fragment of a redox-active coordination polymer [Co(L3)Cl2]n (L3 is the dithioamide of 1,3-benzenedicarboxylic acid), were considered. Gradual changes in electronic structure in a series of compounds M(L1)2 were observed, and correlations between [M(L1)2](0) spin-up and spin-down LUMO energies and the relative energies of the corresponding high-spin and low-spin reduced forms, as well as the shape of the orbitals, were proposed. These results can be helpful for determination of the nature of redox-processes in similar systems by DFT. No specific covalent interactions between [M(L1)2](-) and the R113 molecule (M = Fe, Co, Ni, Zn) were found, which indicates that M(L1)2 electrocatalysts act rather like electron transfer mediators via outer-shell electron transfer. A relaxed surface scan of the adducts {M(L1)2·R113}(-) (M = Ni or Co) versus the distance between the

  15. Chemical Composition and Antibacterial Activity of the Essential Oils from Dalbergia odorifera T.Chen%海南花梨木花精油成分分析及其抑菌活性研究

    Institute of Scientific and Technical Information of China (English)

    陈丽霞; 刘胜辉; 陈歆; 彭黎旭

    2011-01-01

    采用GC-MS联用技术检测了海南花梨木鲜花花精油的化学组成及相对含量,并采用苯醚甲环唑作为对照测定了该精油对香蕉枯萎病菌的抗菌活性.花精油中共鉴定出17种成分,包括烷烃类(53.33%)、邻苯二甲酸二丁酯(14.02%)、邻苯二甲酸二异辛酯(4.37%)、9,12-十八碳二烯酸(14.00%)、α-香树精(8.37%)、1-三十烷醇(2.57%)和二十八烷醇(1.45%)等.抑菌试验表明,花精油和苯醚甲环唑对香蕉枯萎病菌具有一定的抑制作用,其抑制作用随着处理浓度的加大而增强;在接种培养初期,苯醚甲环唑对香蕉枯萎病菌产生明显的抑制作用而花精油不明显,随着时间的延长,花精油对香蕉枯萎病菌的抑制作用逐渐变强,并在7d后与苯醚甲环唑的抑制作用无明显差异.%Chemical constituents and their contents of the essential oils from the flower of Dalbergia odorifera T. Chen were examined by GC-MS and then the anti-microbial activities of the essential oils to Fusarium oxysporum f. Sp. Cubense were tested. Quantitative determination was conducted using area normalization method. There were 17 chemical constituents identified in the essential oils. The major ones of the constituents were alkanes (53.33%), Dibutyl phthalate (14.02%)、 1, 2-Benzenedicarboxylic acid, diisooctyl ester (4.37%), 9,12-Octadecadienoic acid (14.00%), a-Amyrin (8.37%), 1, 30-Triacontanediol (2.57%), 1-Octacosanol (1.45%). The essential oils exhibited antimicrobial activities against Fusarium oxysporum f. Sp. Cubense. Variance analysis suggested that there was a significant difference of antimicrobial activity between essential oisl and difenoconazole at the beginning after treatment After 7 days, there was no significant difference in antimicrobial activity against Fusarium oxysporum £ sp. Cubense.

  16. Isolation,identification,degradation characteristics and pathway of a pyrethroid-degrading bacterial strain%一株拟除虫菊酯农药降解菌的分离鉴定及其降解特性与途径

    Institute of Scientific and Technical Information of China (English)

    陈少华; 罗建军; 胡美英; 赖开平; 耿鹏; 肖盈

    2011-01-01

    A bacterial strain named P-01 was newly isolated by enrichment culture from the activated sludge in the wastewater of a pyrethroid-manufacturer in Zhongshan.Based on the morphology,physio-biochemical characteristics,and 16S rDNA sequence analysis,strain P-01 was temporarily identified as Achromobacter sp.P-01.Response surface methodology(RSM) was used to optimize degradation conditions.The optimal conditions for biodegradation were obtained as follows:31.4℃,pH 7.6 and inoculum biomass 0.4 g · L-1.Under the optimal degradation conditions,strain P-01 could effectively degrade deltamethrin,fenvalerate,beta-cypermethrin,beta-cyfluthrin and cyhalothrin with degradation rates of 98.9%,92.2%,91.0%,85.1% and 77.3%,respectively,within 7 days of incubation.Strain P-01 not only could utilize deltamethrin as the sole carbon source and energy for growth in mineral salt medium(MSM),but also could tolerate and efficiently degrade high concentrations of deltamethrin(100~500 mg · L-1).Furthermore,the degradation reaction followed first-order kinetics and half lives(T1/2) were 1.3,1.8,2.0,2.5 and 3.0 d,respectively.Studies on the degradation pathway showed that deltamethrin was degraded by hydrolysis of the carboxylester linkage to yield alpha-hydroxy-3-phenoxy-benzeneacetonitrile and 3-phenoxy benzaldehyde,and then the intermediates were further degraded by oxygenolysis to form 2-hydroxy-4-methoxy benzophenone and 1,2-benzenedicarboxylic acid,mono ester,finally resulting in complete detoxification.%采用富集培养法,从拟除虫菊酯农药厂废水排放口的活性污泥中分离到1株菊酯农药高效降解菌P-01.经形态、生理生化特征及16S rDNA序列分析,初步鉴定其为无色杆菌属(Achromobacter sp.).响应曲面法优化菌株P-01的降解条件,其降解最优条件为31.4℃、初始pH7.6和接种量0.4g·L-1,在此条件下,该菌株培养7d对50mg·L-1溴氰菊酯、氰戊菊酯、高效氯氰菊酯、高效氟

  17. Anion-controlled assembly of metal 3,5-bis(benzimidazol-1-ylmethyl) benzoate complexes: Synthesis, characterization and property

    Energy Technology Data Exchange (ETDEWEB)

    Kuai, Hai-Wei [Coordination Chemistry Institute, State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing National Laboratory of Microstructures, Nanjing University, Nanjing 210093 (China); Faculty of Life Science and Chemical Engineering, Huaiyin Institute of Technology, Huaian 223003 (China); Lv, Gao-Chao; Hou, Chao [Coordination Chemistry Institute, State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing National Laboratory of Microstructures, Nanjing University, Nanjing 210093 (China); Sun, Wei-Yin, E-mail: sunwy@nju.edu.cn [Coordination Chemistry Institute, State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing National Laboratory of Microstructures, Nanjing University, Nanjing 210093 (China)

    2015-03-15

    Hydrothermal reactions of 3,5-bis(benzimidazol-1-ylmethyl)benzoic acid (HL) with Cd(II), Cu(II) and Zn(II) salts provide eight new metal complexes which were characterized by single crystal and powder X-ray diffraction, IR, elemental and thermogravimetric analyses. Two cadmium frameworks [Cd(L){sub 2}]·2H{sub 2}O (1) and [Cd(L)Cl] (2) have 3D structures with (4{sup 2}.6{sup 5}.8{sup 3})(4{sup 2}.6) and rtl (4.6{sup 2}){sub 2}(4{sup 2}.6{sup 10}.8{sup 3}) topologies, respectively. Structural diversity of four copper complexes [Cu{sub 3}(L){sub 2}]·NO{sub 3}·0.5H{sub 2}O (3), [Cu{sub 2}(HL){sub 2}(SO{sub 4})]·3.5H{sub 2}O (4), [Cu(L)(bdc){sub 0.5}]·1.5H{sub 2}O (5) and [Cu{sub 2}(L)(HL)(Hbdc)] (6) (H{sub 2}bdc=1,4-benzenedicarboxylic acid) is achieved through the alteration of copper salts and addition of auxiliary ligand. As a result, 3 has a 1D ladder structure, 4 is a discrete dinuclear complex, 5 displays a (3,4)-connected 2-nodal 3-fold interpenetrating framework with (4{sup 2}.6.10{sup 2}.12)(4{sup 2}.6) topology, 6 exhibits a 4-connected uninodal 2D sql (4{sup 4}.6{sup 2}) network. Within the zinc series, ZnCl{sub 2} and ZnSO{sub 4} were used for the syntheses of [Zn(L)Cl] (7) and [Zn(L)(SO{sub 4}){sub 0.5}]·2H{sub 2}O (8), respectively. 7 shows a 3-connected uninodal 2D hcb network with (6{sup 3}) topology and 8 is a (3,6)-connected 2-nodal 3D framework with (4{sup 2}.6){sub 2}(4{sup 4}.6{sup 2}.8{sup 8}.10) topology. The luminescent properties of the Cd(II) and Zn(II) complexes were investigated. - Graphical abstract: Eight new complexes have been successfully synthesized from the hydrothermal reactions of Cd(II), Cu(II) and Zn(II) salts with 3,5-bis(benzimidazol-1-ylmethyl)benzoic acid. The complexes exhibited anion-controlled structural diversity. - Highlights: • Metal complexes have diverse structures of 1D chains, 2D networks and 3D frameworks. • Anion-controlled assembly of the complexes is reported. • The luminescent properties of the Cd

  18. Site-Specific Labeling of Protein Kinase CK2: Combining Surface Display and Click Chemistry for Drug Discovery Applications.

    Science.gov (United States)

    Nienberg, Christian; Retterath, Anika; Becher, Kira-Sophie; Saenger, Thorsten; Mootz, Henning D; Jose, Joachim

    2016-06-27

    Human CK2 is a heterotetrameric constitutively active serine/threonine protein kinase and is an emerging target in current anti-cancer drug discovery. The kinase is composed of two catalytic CK2α subunits and two regulatory CK2β subunits. In order to establish an assay to identify protein-protein-interaction inhibitors (PPI) of the CK2α/CK2β interface, a bioorthogonal click reaction was used to modify the protein kinase α-subunit with a fluorophore. By expanding the genetic code, the unnatural amino acid para azidophenylalanine (pAzF) could be incorporated into CK2α. Performing the SPAAC click reaction (Strain-Promoted Azide-Alkyne Cycloaddition) by the use of a dibenzylcyclooctyne-fluorophore (DBCO-fluorophore) led to a specifically labeled human protein kinase CK2α. This site-specific labeling does not impair the phosphorylation activity of CK2, which was evaluated by capillary electrophoresis. Furthermore a dissociation constant (KD) of 631 ± 86.2 nM was determined for the substrate αS1-casein towards CK2α. This labeling strategy was also applied to CK2β subunit on Escherichia coli, indicating the site-specific modifications of proteins on the bacterial cell surface when displayed by Autodisplay.

  19. Site-Specific Labeling of Protein Kinase CK2: Combining Surface Display and Click Chemistry for Drug Discovery Applications †

    Science.gov (United States)

    Nienberg, Christian; Retterath, Anika; Becher, Kira-Sophie; Saenger, Thorsten; Mootz, Henning D.; Jose, Joachim

    2016-01-01

    Human CK2 is a heterotetrameric constitutively active serine/threonine protein kinase and is an emerging target in current anti-cancer drug discovery. The kinase is composed of two catalytic CK2α subunits and two regulatory CK2β subunits. In order to establish an assay to identify protein-protein-interaction inhibitors (PPI) of the CK2α/CK2β interface, a bioorthogonal click reaction was used to modify the protein kinase α-subunit with a fluorophore. By expanding the genetic code, the unnatural amino acid para azidophenylalanine (pAzF) could be incorporated into CK2α. Performing the SPAAC click reaction (Strain-Promoted Azide-Alkyne Cycloaddition) by the use of a dibenzylcyclooctyne-fluorophore (DBCO-fluorophore) led to a specifically labeled human protein kinase CK2α. This site-specific labeling does not impair the phosphorylation activity of CK2, which was evaluated by capillary electrophoresis. Furthermore a dissociation constant (KD) of 631 ± 86.2 nM was determined for the substrate αS1-casein towards CK2α. This labeling strategy was also applied to CK2β subunit on Escherichia coli, indicating the site-specific modifications of proteins on the bacterial cell surface when displayed by Autodisplay. PMID:27355959

  20. Site-Specific Labeling of Protein Kinase CK2: Combining Surface Display and Click Chemistry for Drug Discovery Applications

    Directory of Open Access Journals (Sweden)

    Christian Nienberg

    2016-06-01

    Full Text Available Human CK2 is a heterotetrameric constitutively active serine/threonine protein kinase and is an emerging target in current anti-cancer drug discovery. The kinase is composed of two catalytic CK2α subunits and two regulatory CK2β subunits. In order to establish an assay to identify protein-protein-interaction inhibitors (PPI of the CK2α/CK2β interface, a bioorthogonal click reaction was used to modify the protein kinase α-subunit with a fluorophore. By expanding the genetic code, the unnatural amino acid para azidophenylalanine (pAzF could be incorporated into CK2α. Performing the SPAAC click reaction (Strain-Promoted Azide-Alkyne Cycloaddition by the use of a dibenzylcyclooctyne-fluorophore (DBCO-fluorophore led to a specifically labeled human protein kinase CK2α. This site-specific labeling does not impair the phosphorylation activity of CK2, which was evaluated by capillary electrophoresis. Furthermore a dissociation constant (KD of 631 ± 86.2 nM was determined for the substrate αS1-casein towards CK2α. This labeling strategy was also applied to CK2β subunit on Escherichia coli, indicating the site-specific modifications of proteins on the bacterial cell surface when displayed by Autodisplay.

  1. A new acylamidase from Rhodococcus erythropolis TA37 can hydrolyze N-substituted amides.

    Science.gov (United States)

    Lavrov, K V; Zalunin, I A; Kotlova, E K; Yanenko, A S

    2010-08-01

    A new acylamidase was isolated from Rhodococcus erythropolis TA37 and characterized. N-Substituted acrylamides (isopropyl acrylamide, N,N-dimethyl-aminopropyl acrylamide, and methylene-bis-acrylamide), acid para-nitroanilides (4'-nitroacetanilide, Gly-pNA, Ala-pNA, Leu-pNA), and N-acetyl derivatives of glycine, alanine, and leucine are good substrates for this enzyme. Aliphatic amides (acetamide, acrylamide, isobutyramide, n-butyramide, and valeramide) are also used as substrates but with less efficiency. The enzyme subunit mass by SDS-PAGE is 55 kDa. Maximal activity is exhibited at pH 7-8 and 55°C. The enzyme is stable for 15 h at 22°C and for 0.5 h at 45°C. The Michaelis constant (K(m)) is 0.25 mM with Gly-pNA and 0.55 mM with Ala-pNA. The acylamidase activity is suppressed by inhibitors of serine proteases (phenylmethylsulfonyl fluoride and diisopropyl fluorophosphate) but is not suppressed by inhibitors of aliphatic amidases (acetaldehyde and nitrophenyl disulfides). The N-terminal amino acid sequence of the acylamidase is highly homologous to those of two putative amidases detected from sequenced R. erythropolis genomes. It is suggested that the acylamidase together with the detected homologs forms a new class within the amidase signature family.

  2. New Perspectives on Mechanisms of Decarboxylation in Hydrothermal Fluids from Studies of Substituted Phenylacetic Acids

    Science.gov (United States)

    Glein, C. R.; Gould, I. R.; Lorance, E. D.; Shock, E. L.

    2011-12-01

    Decarboxylation reactions are thought to play a crucial role in transforming organic compounds in the deep carbon cycle [1]. Simple decarboxylation, defined as conversion of a carboxylic acid into an alkane and carbon dioxide, can turn substances of little economic value into ones of great value. Rates of decarboxylation of acetic acid and acetate at hydrothermal conditions have been reported [2], but no theory exists to rationalize those data. Without a theoretical model for how decarboxylations occur, it is risky to extrapolate available information to diverse geochemical conditions and molecular structures found in natural systems. We have been studying kinetics of decarboxylation of substituted phenylacetic acids and phenylacetates to gain insights into mechanisms of decarboxylation in water at high temperatures and pressures. These model compounds represent powerful tools for deciphering said mechanisms, as their patterns of reactivity reflect mechanistic details. Results from experiments performed at 300°C and 103 MPa suggest that simple decarboxylation of phenylacetic acids to toluenes follows an electrophilic substitution mechanism, featuring a benzyl anion as the key intermediate. This mechanism is consistent with the observed reactivity order of fluorophenylacetic acids: para (1) JACS 86, 404-409.

  3. Hepatic and intestinal blood flow following thermal injury

    Energy Technology Data Exchange (ETDEWEB)

    Carter, E.A.; Tompkins, R.G.; Burke, J.F.

    1988-07-01

    Because cardiac output decreases after burn injuries, investigators have assumed, based upon dye clearance techniques, that hepatic and intestinal blood flow are also decreased following these injuries. Blood flow to the liver, stomach, small intestine, and kidney was determined by the uptake of 201thallium and 125I-labeled fatty acid (para-125I-phenyl-3-methyl pentanoic acid) in a 20% body surface area scald injury that also included plasma volume replacement resuscitation. Uptake of these radioisotopes was determined 15 minutes, 18 hours, and 72 hours after injury. The uptake of the 201thallium and 125I-labeled fatty acid by the gastrointestinal tissues was not statistically different at any of the time periods after comparison of the injured and control (sham-treated) animals. 201Thallium uptake by the kidney was significantly diminished 15 minutes after the burn injury (P less than 0.01). Based on these blood flow measurement techniques, the data suggest that the 20% body surface area scald injury did not alter blood flow to the liver or gastrointestinal tract within the initial 72 hours after the burn injury even though a decrease in renal blood flow was easily detected. These results suggest that the dysfunction of the gastrointestinal system or hepatic system observed after an acute burn injury is not simply the result of hypovolemic shock, which reduces both renal and mesenteric blood flow. These gastrointestinal and hepatic alterations may be related to a factor or factors other than intestinal ischemia.

  4. In vitro and in vivo evaluation of cysteine and site specific conjugated herceptin antibody-drug conjugates.

    Directory of Open Access Journals (Sweden)

    Dowdy Jackson

    Full Text Available Antibody drug conjugates (ADCs are monoclonal antibodies designed to deliver a cytotoxic drug selectively to antigen expressing cells. Several components of an ADC including the selection of the antibody, the linker, the cytotoxic drug payload and the site of attachment used to attach the drug to the antibody are critical to the activity and development of the ADC. The cytotoxic drugs or payloads used to make ADCs are typically conjugated to the antibody through cysteine or lysine residues. This results in ADCs that have a heterogeneous number of drugs per antibody. The number of drugs per antibody commonly referred to as the drug to antibody ratio (DAR, can vary between 0 and 8 drugs for a IgG1 antibody. Antibodies with 0 drugs are ineffective and compete with the ADC for binding to the antigen expressing cells. Antibodies with 8 drugs per antibody have reduced in vivo stability, which may contribute to non target related toxicities. In these studies we incorporated a non-natural amino acid, para acetyl phenylalanine, at two unique sites within an antibody against Her2/neu. We covalently attached a cytotoxic drug to these sites to form an ADC which contains two drugs per antibody. We report the results from the first direct preclinical comparison of a site specific non-natural amino acid anti-Her2 ADC and a cysteine conjugated anti-Her2 ADC. We report that the site specific non-natural amino acid anti-Her2 ADCs have superior in vitro serum stability and preclinical toxicology profile in rats as compared to the cysteine conjugated anti-Her2 ADCs. We also demonstrate that the site specific non-natural amino acid anti-Her2 ADCs maintain their in vitro potency and in vivo efficacy against Her2 expressing human tumor cell lines. Our data suggests that site specific non-natural amino acid ADCs may have a superior therapeutic window than cysteine conjugated ADCs.

  5. 4-Chloro-α-cyanocinnamic acid is an efficient soft matrix for cyanocobalamin detection in foodstuffs by matrix-assisted laser desorption/ionization mass spectrometry (MALDI MS).

    Science.gov (United States)

    Calvano, Cosima Damiana; Ventura, Giovanni; Palmisano, Francesco; Cataldi, Tommaso R I

    2016-09-01

    4-Chloro-α-cyanocinnamic acid (ClCCA) is a very useful matrix able to give the protonated adduct [M+H](+) of intact cyanocobalamin (CNCbl) as the base peak (m/z 1355.58) in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry (MS). The only fragment observed is [M-CN + H](+•) formed through the facile (•) CN neutral loss reflecting the fairly low Co-C bond energy. All other investigated proton transfer matrices, including α-cyano-4-hydroxycinnamic acid, para-nitroaniline and 2,5-dihydroxybenzoic acid, give rise to a complete decyanation of CNCbl with concomitant formation of [M-CN + H](+•) , [M-CN + Na](+•) and [M-CN + K](+•) adducts at m/z 1329.57, 1351.55 and 1367.51, respectively. Depending on the matrix used, a variable degree of fragmentation involving the α-side axial ligand was observed. A plausible explanation of the specific behaviour of 4-chloro-α-cyanocinnamic acid as a soft matrix is discussed. Tandem mass spectra of both [M + H](+) and [M-CN + H](+•) ions were obtained and product ions successfully assigned. The possibility of detecting the protonated adduct of intact CNCbl was exploited in foodstuff samples such as cow milk and hen egg yolk by MALDI tandem MS upon sample extraction. We believe that our data provide strong basis for the application of MALDI tandem MS in the qualitative analysis of natural CNCbl, including fish, liver and meat samples. Copyright © 2016 John Wiley & Sons, Ltd.

  6. Urinary pesticide metabolites in school students from northern Thailand.

    Science.gov (United States)

    Panuwet, Parinya; Prapamontol, Tippawan; Chantara, Somporn; Barr, Dana B

    2009-05-01

    We evaluated exposure to pesticides among secondary school students aged 12-13 years old in Chiang Mai Province, Thailand. Pesticide-specific urinary metabolites were used as biomarkers of exposure for a variety of pesticides, including organophosphorus insecticides, synthetic pyrethroid insecticides and selected herbicides. We employed a simple solid-phase extraction with analysis using isotope dilution high-performance liquid chromatography tandem mass spectrometry (HPLC-MS/MS). A total of 207 urine samples from Thai students were analyzed for 18 specific pesticide metabolites. We found 14 metabolites in the urine samples tested; seven of them were detected with a frequency > or=17%. The most frequently detected metabolites were 2-[(dimethoxyphosphorothioyl) sulfanyl] succinic acid (malathion dicarboxylic acid), para-nitrophenol (PNP), 3,5,6-trichloro-2-pyridinol (TPCY; metabolite of chlorpyrifos), 2,4-dichlorophenoxyacetic acid (2,4-D), cis- and trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-1-carboxylic acids (c-DCCA and t-DCCA; metabolite of permethrin) and 3-phenoxybenzoic acid (3-PBA; metabolite of pyrethroids). The students were classified into 4 groups according to their parental occupations: farmers (N=60), merchants and traders (N=39), government and company employees (N=52), and laborers (N=56). Children of farmers had significantly higher urinary concentrations of pyrethroid insecticide metabolites than did other children (p<0.05). Similarly, children of agricultural families had significantly higher pyrethroid metabolite concentrations. Males had significantly higher values of PNP (Mann-Whitney test, p=0.009); however, no other sex-related differences were observed. Because parental occupation and agricultural activities seemed to have little influence on pesticide levels, dietary sources were the likely contributors to the metabolite levels observed.

  7. 不同提取方法对艾叶挥发油成分的影响%Effect of Different Extraction Methods on the Chemical Constituents of Essential Oils from FOLIUM ARTEMISIAE ARGYI

    Institute of Scientific and Technical Information of China (English)

    石琳; 阳元娥; 姚勇芳

    2011-01-01

    [Objective] To study the effect of different extraction methods on the chemical constituents of essential oils from FOLIUM ARTEMISI-AE ARGYI. [Method] The essential oils were first extracted from FOLIUM ARTEMISIAE ARGYI by steam distillation and SFE-CO2, and then qualitatively identified by GC-MS. Next, the relative content of each component was calculated by normalization method. [ Result ] There were significant differences in the chemical constituents of essential oils that were extracted from FOLIUM ARTEMISIAE ARGYI by different methods like steam distillation and SFE-CO2. The essential oils extracted by SFE-CO2 mainly contained 1,2-benzenedicarboxylic acid-2-ethylhexyl mono ester (17.81%) and l,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-l-(l-methylethyl)-( la. Alpha. ,4a. Alpha. ,8a. Alpha. )-naphthalene (11.13%), while that extracted by steam distillation mainly contained 4,6,6-trimethyl-[ lS-( la,2β,5a) ]-bicyclo [3. 1. 1 ] hept-3-en-2-ol (22.05%), 4-methyl-l-(l-methylethyl)-[lS-(l. Alpha. , 4. Beta. ,5. Alpha. ) ]-bicyclo[3. 1.0]hexan-3-one (10.69%) and caryophyllene oxide (10.62% ). [Conclusion] The essential oils extracted from FOLIUM ARTEMISIAE ARGYI by SFE-CO2 contained more chemical constituents, especially low-polarity substance. However, the chemical constituents of essential oils extracted by steam distillation focused on higher-polarity alcohols. It was difficult to extract low-polarity volatile components by steam distillation.%[目的]研究不同提取方法对艾叶挥发油成分的影响.[方法]采用水蒸气蒸馏法和CO2超临界萃取法提取艾叶中的挥发油,然后用气相色谱-质谱联用法对挥发油的化学成分进行鉴定,用归一法计算各组分的相对百分含量.[结果]采用水蒸气蒸馏法和CO2超临界萃取法提取的艾叶挥发油化学成分存在较大差异;超临界萃取得到艾叶挥发油的主要成分为1,2-苯二羧酸-2-乙基己基酯(17.81%)、1,2,3,4,4a,5,6,8a-八氢-7-

  8. GC-MS Anzlysis of Ether Extrzct from Fritillaria wabuensis znd Its Antioxidznt Activity%瓦布贝母乙醚提取物 GC-MS 分析及其抗氧化活性评价

    Institute of Scientific and Technical Information of China (English)

    潘峰; 张敏敏; 董品利; 吴卫

    2015-01-01

    Abstrzct:[Objective]The aim of the study was to study the chemical composition of the ether ex-tract from Fritillaria wabuensis and its antioxidant activity.[Method]GC-MS was used to detect the ether extract from the dry and fresh samples of F .wabuensis by soxhlet extraction method (SEM)and ultrasonication extraction (UE),respectively.The relative contents of chemical com-position from F .wabuensis were determinated by area normalization.The antioxidant capacity was evaluated by DPPH and ABTS+ radical scavenging assay.[Results]There was higher extraction efficiency by UE than SEM.69 and 58 kinds of components from the fresh samples by SEM and UE were determined but 73 and 57 kinds of components from dry samples by SEM and UE were determined, respectively. Moreover, the percentages of those components were 62.16%, 53.70%,65.18% and 58.76% in the total number of components as well as 80.01%,68.91%, 68.62% and 74.89% in the total content,respectively.The main components were n-hexadecano-ic acid,linoleic acid ethyl ester,(Z,Z)-9,12-octadecadienoic acid and 1,2-benzenedicarboxylic acid,mono (2-ethylhexyl)ester in all samples.The ether extracts from fresh and dry samples by SEM and UE all showed antioxidant activity (IC50 values were 30.66,29.77,15.99 and 21.11 mg/mL with DPPH;35.72,21.08,23.40 and 15.45 mg/mL with ABTS+ ,respectively).[Con-clusion]The different extract methods and treatments had a relatively little effect on the main components.However,there was obvious difference in the low content ingredients in different samples.Furthermore,the ether extracts from F .wabuensis had certain antioxidant activity.GC-MS is a simple,sensitive and rapid method for determination of the chemical composition.It is helpful for our understanding of F .wabuensis .%【目的】分析瓦布贝母鳞茎乙醚提取物中化学成分及其抗氧化活性。【方法】瓦布贝母鳞茎干、鲜样分别采用索氏提取法和超声提取法以乙醚为

  9. Artificial Metalloenzymes through Chemical Modification of Engineered Host Proteins

    KAUST Repository

    Zernickel, Anna

    2014-10-01

    With a few exceptions, all organisms are restricted to the 20 canonical amino acids for ribosomal protein biosynthesis. Addition of new amino acids to the genetic code can introduce novel functionalities to proteins, broadening the diversity of biochemical as well as chemical reactions and providing new tools to study protein structure, reactivity, dynamics and protein-protein-interactions. The site directed in vivo incorporation developed by P. G. SCHULTZ and coworkers, using an archeal orthogonal tRNA/aaRS (aminoacyl-tRNA synthase) pair, allows site-specifically insertion of a synthetic unnatural amino acid (UAA) by reprogramming the amber TAG stop codon. A variety of over 80 different UAAs can be introduced by this technique. However by now a very limited number can form kinetically stable bonds to late transition metals. This thesis aims to develop new catalytically active unnatural amino acids or strategies for a posttranslational modification of site-specific amino acids in order to achieve highly enantioselective metallorganic enzyme hybrids (MOEH). As a requirement a stable protein host has to be established, surviving the conditions for incorporation, posttranslational modification and the final catalytic reactions. mTFP* a fluorescent protein was genetically modified by excluding any exposed Cys, His and Met forming a variant mTFP*, which fulfills the required specifications. Posttranslational chemical modification of mTFP* allow the introduction of single site metal chelating moieties. For modification on exposed cysteines different maleiimid containing ligand structures were synthesized. In order to perform copper catalyzed click reactions, suitable unnatural amino acids (para-azido-(L)-phenylalanine, para-ethynyl-(L)-phenylalanine) were synthesized and a non-cytotoxic protocol was established. The triazole ring formed during this reaction may contribute as a moderate σ-donor/π-acceptor ligand to the metal binding site. Since the cell limits the

  10. Design and characterization of artificial extracellular matrix proteins for use as small-diameter vascular grafts

    Science.gov (United States)

    Heilshorn, Sarah

    , isoleucine. Replacing 82% of the isoleucines results in a twofold reduction in degradation rate without compromising sequence-specific HUVEC adhesion. Incorporation of another noncanonical amino acid, para-azidophenylalanine, allows synthesis of photoreactive proteins that can be patterned using photolithography. These protein patterns retain their ability to adhere HUVEC and produce stable cell patterns after 48 hours in medium supplemented with serum.

  11. Effect of carvacrol on the oxidative stability of palm oil during frying

    Directory of Open Access Journals (Sweden)

    İnanç, T.

    2014-12-01

    Full Text Available Fats and oils deteriorate physically and chemically at frying temperatures due to several reasons. The objective of this study was to assess the effect of carvacrol on the oxidative stability of palm oil during a repeated frying process. Potatoes were serially fried in carvacrol-added palm oil, BHT-added palm oil and a control oil (without any antioxidants. After each tenth frying cycle, several chemical analyses were carried out on collected samples to evaluate deterioration in the oils. The free fatty acid, para-anisidine, iodine, and total polar component values of the fresh oil were 0.080, 2.85, 57.1 and 7.5, respectively. These values changed to 0.165, 11.80, 46.7, 11.0, respectively for the control oil; 0.151, 11.28, 49.2 and 10.5 for BHT-added oil; 0.140, 7.19, 51.7, 10.0 for carvacrol-added oil after 40 frying cycles. The results revealed that the use of carvacrol could significantly improve the oxidative stability of palm oil when compared to the control samples. This effect was also comparable to BHT. Using carvacrol in frying oil slowed down the rate of the formation of conjugated dienes and trienes compared to the oil with BHT and the control. The frying process significantly changed the viscosity of the oil samples.Las grasas y aceites se deterioran física y químicamente a las temperaturas de fritura debido a diferentes razones. El objetivo de este estudio fue evaluar el efecto del carvacrol en la estabilidad oxidativa del aceite de palma durante el proceso de fritura repetida. Se sometió a fritura repetida patatas en el aceite de palma con carvacrol agregado, en aceite de palma con BHT agregado y en aceite control (sin antioxidante. Después de cada décimo ciclo de fritura, se realizaron diferentes análisis sobre las muestras recogidas para evaluar el deterioro de los aceites. Ácidos grasos libre, para-anisidina, índice de yodo y componentes polares totales del aceite fresco fueron: 0,080, 2,85, 57,1 y 7,5, respectivamente

  12. Optimization of Detection System for Polyphenol and Its Compositions and Contents in Different Parts of Pomegranate Fruit%石榴果实酚类物质测定体系优化与不同部位组分及含量测定

    Institute of Scientific and Technical Information of China (English)

    韩玲玲; 苑兆和; 冯立娟; 杨尚尚; 朱峰

    2012-01-01

    A high performance liquid chromatographic method was developed for the analysis of polyphenol compositions and contents in different parts of ' Taishanhong' pomegranate fruit including peel, seed and juice. The chromatographic separation was performed on a Kromasil (250 mm×4. 6 mm, 5μm). The mobile phase was acetonitrile and 1% acetate acid solution for gradient elution. The column temperature was 30℃; the flow rate was 1. 1 ml/min and the wave length was 280 nm. The results indicated that thirteen phenolic compounds were identified in pomegranate peel and seed, including gallic acid, chlorogenic acid, para-hydroxybenzoic acid, epicatechin, caffeic acid, catechin, vanillin, ferulic acid, benzoic acid, phloridzin, quercetin, cinnamic acid and phloretin. Twelve phenolic compounds were identified in pomegranate juice, and epicatechin was not detected. The content of polyphenols was the highest in pomegranate peel, followed by pomegranate juice and pomegranate seed. The major acidic phenolic compound and flavonoid compound in pomegranate peel were parahydroxybenzoic acid (0.828 mg/g) and epicatechin (0.915 mg/g) respectively, while those in pomegranate juice were parahydroxybenzoic acid (0. 12 mg/g) and catechin (0. 149 mg/g) respectively, and those in pomegranate seed were caffeic acid (0.026 mg/g) and phloridzin (0.075 mg/g) respectively.%以“泰山红”石榴为试材,利用高效液相色谱仪(HPLC)测定成熟期石榴果实中果皮、籽粒和果汁中酚类物质的组分及含量.色谱条件:色谱柱为Kromasil色谱柱(250mm×4.6 mm,5μm),以乙腈-1%乙酸水溶液为流动相进行梯度洗脱.流速为1.1 ml/min,柱温30℃,检测波长280 nm.结果表明:在石榴皮和石榴籽中检测到13种酚类成分,包括没食子酸、绿原酸、对羟基苯甲酸、表儿茶素、咖啡酸、儿茶素、香草醛、阿魏酸、苯甲酸、根皮苷、槲皮素、肉桂酸、根皮素;在石榴汁中检测到上述12种酚类物质,未检测到表

  13. Development of probes for bioanalytic applications of the surface-enhanced Raman scattering; Entwicklung neuer Sonden fuer bioanalytische Anwendungen der oberflaechenverstaerkten Raman-Streuung

    Energy Technology Data Exchange (ETDEWEB)

    Matschulat, Andrea Isabel

    2011-07-01

    Surface-enhanced Raman scattering (SERS) has been established as a versatile tool for probing and labeling in analytical applications, based on the vibrational spectra of samples as well as label molecules in the proximity of noble metal nanostructures. The aim of this work was the construction of novel SERS hybrid probes. The hybrid probes consisted of Au and Ag nanoparticles and reporter molecules, as well as a targeting unit. The concept for the SERS hybrid probe design was followed by experiments comprising characterization techniques such as UV/Vis-spectroscopy (UV/Vis), Transmission electron microscopy (TEM) and Dynamic Light Scattering (DLS), respectively. SERS experiments were performed for studying and optimizing the plasmonic properties of nanoparticles with respect to their enhancement capabilities. The SERS-probes had to meet following requirements: biocompatibility, stability in physiological media, and enhancement of Raman-signals from Raman reporter molecules enabling the identification of different probes even in a complex biological environment. Au and Ag nanoaggregates were found to be the most appropriate SERS substrates for the hybrid probe design. The utilization of Raman reporters enabled the identification of different SERS probes in multiplexing experiments. In particular, the multiplexing capability of ten various reporter molecules para-aminobenzenethiol, 2-naphthalenethiol, crystal violet, rhodamine (B) isothiocyanate, fluorescein isothiocyanate, 5,5'dithiobis(2-nitrobenzoic acid), para-mercaptobenzoic acid, acridine orange, safranine O und nile blue was studied using NIR-SERS excitation. As demonstrated by the results the reporters could be identified through their specific Raman signature even in the case of high structural similarity. Chemical separation analysis of the reporter signatures was performed in a trivariate approach, enabling the discrimination through an automated calculation of specific band ratios. The trivariate