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THE INVESTIGATION OF METHANE OXIDATIVE COUPLING ON BaF2.LaOF CATALYST

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Chinese chemical Letters 1995年第8期

作者： Zi Sheng CHAO Xiao Ping ZHOU Hui Lin WAN and Khi Ri TSAI (department of chemistry and the State Key Laboratory for Physical {1. or Solid Surface of {2., xiamen 361.05)

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LIGAND-PROTEIN INVERSE DOCKING AS A POTENTIAL TOOL IN THE COMPUTER SEARCH OF PROTEIN TARGETS OF MYCOEDIKETOPIPERAZINE,A NOVEL FUNGAL METABOLITE FROM A PAPULARIA SP

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LIGAND-PROTEIN INVERSE DOCKING AS A POTENTIAL TOOL IN THE CO...

DCMB that Combines Divide-and-Conquer（DC）and Mixed-Basis Set（MB）Methods for Accurate Geometry Optimizations,Total Energies,and Vibrational Frequencies of Large Molecules

第1.届国际磷化学大会

作者： Fang Meijuan1* Fang Hua2.Ji Zhiliang3 Luo Shuna2.Zhao Yufen1 2.1 department of Pharmaceutical Science Medical {1. {2. xiamen 361.05 People’s Republic of China {2.. 2.department of chemistry The Key Laboratory for chemical Biology of Fujian Province college of chemistry and chemical engineering {2. xiamen 361.05 People’s Republic of China 3 Bioinformatics Research Group S{1.} of Life Sciences {2. xiamen 361.05 Fujian Province PR china

＜正＞Mycoediketopiperazine, a novel fungal metabolite from a Papularia sp., which was isolated from a highly organicphosphorous polluted environment. Mycoediketopiperazine exhibited low potent

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DCMB that Combines Divide-and-Conquer（DC）and Mixed-Basis S...

RUTHENIUM　COORDINATION　COMPOUNDS　WITH　POLYPYRIDINES　***－BINDING　STUDIES　OF　Ru（Ⅱ）COORDINATION　COMPOUNDS　WITH（2.PHENYL－）IMIDAZO［f］1.1.－PHENANTHROLINE

中国化学会第2.届学术年会

作者： Anan Wu1.Xin Xu1.2.1.State Key Laboratory of Physical chemistry of Solid Surfaces,Fujian Provincial Key Laboratory of Theoretical and Computational chemistry,college of chemistry and chemical engineering,xiamen university,xiamen 361.05,China 2.MOE Laboratory for Computational Physical Science,department of chemistry,Fudan university,Shanghai,2.0433,China

We present a method,named DCMB,for the calculations of large *** is a combination of a parallel divide-and-conquer（DC）1.method and a mixed-basis（MB）2.set *** this approach,atomic forces,total energy and vibrational frequencies are obtained from a series of MB calculations,which are derived from the target system utilizing the DC *** the fragmentation based methods3-5,all DCMB calculations are performed over the whole target system and no artificial caps are introduced so that it is particularly useful for charged and/or delocalized *** comparing the DCMB results with those from the conventional method,we demonstrate that DCMB is capable of providing accurate prediction of molecular geometries,total energies,and vibrational frequencies of molecules of general *** also demonstrate that the high efficiency of the parallel DCMB code holds the promise for a routine geometry optimization of large complex systems.

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Chinese chemical Letters 1995年第11期6卷 999-1002页

作者： Jian Zhong WU Lei WANG Guang YANG Tian Xian ZENG Liang Nian JI (department of chemistry, Zhongshan {1.,{2. 51.2.5)(National Laboratory of Applied Organic chemistry,Lanzhou {1., Lanzhou 730000) Zhongshan Univ Dept Chem Guangzhou 510275 Peoples R China Lanzhou Univ Natl Lab Appl Organ Chem Lanzhou 730000 Peoples R China

The binding of [Ru(bpy)2.IP)]2.(b2.P),[Ru(bpy)2.PIP)]2.(b2.IP),[Ru(Phen)2.(IP)]2.(p2.P),[Ru(phen)2.PIP)]2.(p2.IP) to calf thymus DNA was investigated using electronic absorption, circular dichroism and fluorescence emission *** spectra of dialyzates indicate enantioselectivity associated with *** of intercalative binding is also provided by hypochromicity in the MLCT bands, increased emission intensities and curvature of emission quenching by [Fe (CN)6]4-. The total binding affinities seem to be in the order b2.P2.IP≤p2.P2.IP, which is consistent, with the order of ligand planarity. extent of aromtic πsystem and hydrophobicity, bpy<

关键词： Ru OF STUDIES DNA BINDING

Doped Inorganic Nanoparticles as Synergistically Enhanced T1.T2.Dual-Modal MRI Contrast Agents

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Doped Inorganic Nanoparticles as Synergistically Enhanced T1...

Synthesis and Crystal Structure of trans(N)-(1.1.-Phenanthroline)-bis (DL-Al aninato)-Cobalt( Ⅲ ) Chloridetrihydrate

中国化学会第2.届学术年会

作者： Zijian Zhou 1.Dengtong Huang 1.Zhenghuan Zhao 1.Jianfeng Bao 2.Zhong Chen 2.Jinhao Gao 1.* 1.tate Key Laboratory of Physical chemistry of Solid Surfaces,The Key Laboratory for {1. Biology of Fujian Province,and department of {1. Biology,college of chemistry and chemical engineering,xiamen university,xiamen 361.05.2.department of Electronic Science and Fujian Key Laboratory of Plasma and Magnetic Resonance,xiamen university,xiamen 361.05.

＜正＞The combination of multiple imaging modalities can yield complementary diagnostic information and offer synergistic advantages over the single *** T1.T2.dual-modal strategy for magnetic resonance imaging

关键词： Contrast agents inorganic nanoparticles T1.T2.dual-modal synergistic enhancement MRI

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chemical Research in Chinese Universities 1993年第3期9卷 220-224页

作者： YE Bao-hui, ZENG Tian-xian, HAN Ping and JI Liang-nian (department of chemistry, Zhongshan {1., {2., 51.2.5)

The title compound was synthesized by the reaction of cis-[Co(phen)2.l2.Cl·3H2. with DL-alanine at pH = 8, and isolated using a column chromatographic method. Its crystal structure was determined. The crystal structure belongs to mono-clinic system, space group P2.0}c, with a = 0. 9549(6) nm, b=2.3746(8) nm, c= 1.0782.4) nm, β=1.4.1.(3)°? Z = 4, Dc= 1. 50 g/cm3. The final refinement converged to R = 0. 047 for 32.6 independent observed reflections. In the octahedral coordination sphere formed by the cobalt atom and the coordinate atoms, N, O of DL-alan-inato ligands are in the configuration of trans-N ,N form.

关键词： Phenanthroline Alanine Cobalt( Ⅲ ) complex Crystal structure

IN SITU RAMAN STUDY OF OXYGEN SPECIES ON BaF_2.LaOF CATALYSTS

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Chinese chemical Letters 1995年第3期6卷 239-242页

作者： Zi Sheng CHAO Xiao Ping ZHOU Hui Lin WAN and K. R. TSAT (department of chemistry, {1., {2.)

The dioxygen species was characterized and their thermostability was investigated on BaF2.LaOF catalyst by means of in situ Roman spectroscopy in the temperature range of 2.8K Lo 1.2.K. It is found that there exist mainly the O2.ions and a little amount of O2.(1.n1. ions at the temperature for OCM (1.2.K) on BaF2.LaOF catalyst in O2.stream. These dioxygen species can be expected to be the active sites for OCM.

关键词：保保福保 IN SITU RAMAN STUDY OF OXYGEN SPECIES ON BaF2.LaOF CATALYSTS 梗梗

RUTHENIUM　COORDINATION　COMPOUNDS　WITH　POLYPYRIDYL：Ⅱ　THE　INTERACTION　OF　RUTHENIUM（Ⅱ）MIXED－LIGAND　COORDINATION　COMPOUNDS　CONTAINING　PYRIDO［3，2.f］［1.7］PHENANTHROLINE　WITH　CALF　THYMUS　DNA

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Chinese chemical Letters 1995年第4期6卷 353-356页

作者： Lei WANG Jian Ying ZHOU Jin Ying WANG Tian Xian ZEMG Liang Nian JI(department of chemistry. Zhongshan {1., {2.. 51.2.5)(State Key Labofatory of Coordination chemistry, Manjing {1. . 2.1}008) Zhongshan Univ Dept Chem Guangzhou 510275 Peoples R China Nanjing Univ State Key Lab Coordinat Chem Nanjing 210008 Peoples R China

The binding of Rulpdphen2. to calf thymus DNA was inveatigated using absorption fluorescence and CD spectroscopies, where pdphen is the planar ligand pyrido[3. 2. f] [1. 7] phenanthroline,L=2. 2. -bipyridine, phenanthroline. 2. 9-dimethyl phenanthroline and 5-nitro-phenanthroline. All coordination componds show abaorption typochromicity associated with binding to calf thymus DNA .Ru(bipy) pdphen3+ and Rn (phen) pdphen+ also show fluoreacence intensities and excited state lifetime Increase becanse of the interaction of coordination compounds with calf thymus DNA .CD apectra of dialylatea indicate enantioselectivity associated withe binding to DNA .

关键词： DNA THYMUS COMPOUNDS CALF

OXIDATIVE DEHYDROGENATION OF PROPANE OVER MCl_n/V-Mg-O CATALYSTS

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Chinese chemical Letters 1993年第12期4卷 1061-1064页

作者： Wei De ZHANG Zhi Min FANG Jia Ning JIANG Hui Lin WAN Qi Rui CAI department of chemistry,{1.,{2.,361.05

Oxidative dehydrogenation of propane over V-Mg-O and MCl_n(M=Cu^+,Li^+, Ag^+,Cd^(2.))promoted V-Mg-O catalysts was *** result showed that the V-Mg-O catalysts were composed of MgO and Mg_3(VO_4)_*** yield of propene was much higher over CuCl and LiCl promoted VMgO catalysts than that over VMgO catalysts at the same reaction *** highest yield of propene reached 2..1. at 500℃ and 6000h^(-1. space velocity.

关键词： OXIDATIVE DEHYDROGENATION OF PROPANE OVER MCl_n/V-Mg-O CATALYSTS XRD over than