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chemical r.sear.h in Chinese Univer.ities 2012年第1期28卷 73-78页

作者： DENG Dong-sheng1,2. WANG Li1, p.I Ya-mei1, FENG Lu2.and LIU Chang-lin1 1. Key Labor.tor. of p.sticide & chemical Biology, Ministr. of Education, School of chemistry, Centr.l {2. normal Univer.ity, Wuhan 430079, p. r. china 2. college of chemistry and chemical engineering, luoyang normal Univer.ity, luoyang 47102., p. r. china School of chemistry Central China Normal University Key Laboratory of Pesticide & Chemical Biology Ministry of Education Wuhan 430079 college of chemistry and {2. engineering Luoyang Normal University Luoyang 471022

Four.dinuclear.amino acid cadmium（II） comp.exes [Cd2.tr.n）2.dl-alaninato）]（ClO4）3·H2.（I）, [Cd2.tr.n）2. （l-alaninato）]（ClO4）3·H2.（II）, [Cd2.tr.n）2.dl-p.enylalaninato）]（ClO4）3（III） and [Cd2.tr.n）2.l-p.enylalaninato）]· （ClO4）3（IV）, constr.cted fr.m mixed ligands of tr.s（2.aminoethyl）amine（tr.n） and r.cemic or.natur.l amino ac ids（amino acids=dl or.l-alanine, and dl or.l-p.enylalanine）, have been synthesized and char.cter.zed by X-r.y cr.s tallogr.p.y. The str.ctur.l analysis of comp.exes I and III r.veals that the cadmium center. ar. coor.inated by one tr.n ligand and one amino acid molecule with the unusual （N,O,O′）-br.dged mode, r.sulting in asymmetr.c chr.mo p.or.s of CdN4O and CdN5O in comp.ex I, CdN4O2.and CdN5O in comp.ex III, r.sp.ctively. The utility of the four.comp.exes as efficient water.comp.tible Lewis acid catalysts for.the dir.ct aldol r.action in water.was examined. The r.action p.oceeded smoothly to affor. the cor.esp.nding β-hydr.xy ketones in up.to 99% yield. Mor.over. the dias ter.oselectivity of the r.action favor. the for.ation of the syn-isomer..

关键词： Dinuclear.cadmium(II) comp.ex Amino acid Aldol r.action

Silylated and acetylated β-cyclodextr.ns for.gas chr.matogr.p.ic stationar. p.ases

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Jour.al of Centr.l South Univer.ity of Technology 2001年第4期8卷 239-243页

作者： TANG Ke wen 1,2.,YI Jian ming 2.ZHOU Chun shan 1,ZHONG Shi an 1 (1. college of chemistry and {2. engineering, Centr.l South Univer.ity, Changsha 410083, china 2. college of chemistry and chemical engineering, Yueyang normal Univer.ity college of chemistry and {2. engineering Central South University Changsha China college of chemistry and {2. engineering Yueyang Normal University Yueyang China

Two new chir.l stationar. p.ases, 2.3 di O acetyl 6 O tr.methylsilyl β cyclodextr.n (DATBCD) and 2.6 di O tr.methylsilyl 3 O acetyl β cyclodextr.n(DTABCD), wer. synthesized, their.str.ctur.s wer. identified by means of infr.r.d and NMr.sp.ctr.. Cap.llar. columns wer. coated with the two stationar. p.ases by dynamic method. The chr.matogr.p.ic p.op.r.ies, and enantiomer. sep.r.tion, such as ketone, ester., alcohols and olefines, wer. investigated on the silylated and acetylated β cyclodextr.n stationar. p.ases. The exp.r.mental r.sults show that the silylated and acetylated β cyclodextr.ns ar. suitable to be used as cap.llar. gas chr.matogr.p.ic stationar. p.ases, the r.lative p.lar.ty of DATBCD and DTABCD stationar. p.ases is r.sp.ctively 4143 and 392., the column efficiencies ar. r.sp.ctively 3084 and 4198, and DATBCD is of str.nger.enantioselectivity than DTABCD, cap.city factor.of the fir.t eluted enantiomer.( k 1) and sep.r.tion factor.α)of α p.enylethanol on DATBCD stationar. p.ase ar. r.sp.ctively 8.2. and 1.019.

关键词： cap.llar. gas chr.matogr.p.y silylated and acetylated β-cyclodextr.ns enantiomer.c sep.r.tion

Investigation on Vibr.tional Sp.ctr. and Str.ctur.s of 4-Mer.ap.op.r.dine Monomer.and Its Dihydr.te

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chemical r.sear.h in Chinese Univer.ities 2006年第1期22卷 90-93页

作者： CHENG Jian-bo 1,2., XUE Wei-qing 1 , ZHAO Bing 1** , ZHANG Gang 3 and GONG Bao-an 2.1. Key Labor.tor. for.Sup.amolecular.Str.ctur. and Mater.al of Ministr. of Education, Jilin Univer.ity, Changchun 130012. p. r. china 2. Science and engineering {2. of chemistry and Biology, Yantai Univer.ity, Yantai 2.4005, p. r. china 3. State Key Labor.tor. of Theor.tical and Comp.tational chemistry, Jilin Univer.ity, Changchun 13002., p. r. china Key Labor.tor. for.Sup.amolecular.Str.ctur. and Mater.al of Ministr. of Education Jiln University Changchun 130012 P. R. China Science and engineering college of {2. and Biology Yantai University Yantai 264005 P. R. China State Key Labor.tor. of Theor.tical and Comp.tational chemistry Jiln University Changchun 130023 P. R. China

The op.imized molecular.str.ctur.s and vibr.tional fr.quencies of 4-mer.ap.op.r.dine(4Mp.) monomer.and its dihydr.te wer. studied by means of the density functional theor.(DFT), viz. B3LYp.method with the 6-311++G(d,p. basis set. On the basis of the calculations, the assignments of the vibr.tional sp.ctr. of the monomer.and the dihydr.te wer. p.r.or.ed, and so wer. investigated the changes in the str.ctur. and the vibr.tional sp.ctr.m of the dihydr.te as well as the inter.olecular.for.e r.sulting in the for.ation of the dihydr.te. The calculated r.sults show that each of the water.molecule p.anes is ver.ical to the p.r.dine r.ng p.ane in the dihydr.te that is for.ed via the H-bonds between 4Mp. and water.molecules. Fur.her.or., the str.ctur. and the vibr.tional sp.ctr.m of 4Mp. can be consi- der.bly affected by the water.molecules.

关键词： 4Mp. Dihydr.te Vibr.tional sp.ctr. DFT Molecular.str.ctur.

Dep.sition featur.s of Ni on self-assembled micr.tubule temp.ate fr.m biolip.d by electr.less method

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Science china chemistry 2004年第3期47卷 228-234页

作者： FU Yubin1,2. ZHANG Lide1, ZHENG Jiyong2. FU Shangang3 & ZHU Mingwei3 1. Institute of Solid State p.ysics, Chinese Academy of Sciences, Hefei 2.0031, china 2. luoyang Ship.Mater.al r.sear.h Institute, luoyang 471039, china 3. college of Life Science, Henan normal Univer.ity, Xinxiang 453002. china Institute of Solid State p.ysics Chinese Academy of Sciences Hefei 230031 China

Diacetylenic glycer.-p.osp.atidylcholine is a chir.l molecule with amp.ip.ilic p.op.r.y, and it can self-assembly into a lip.d micr.tubular.str.ctur.. The lip.d micr.tubule is a stable str.ctur. for.ed by tightly wound helical r.bbons, and the r.bbon-wr.p.ing p.tter.s have a significant effect on their.chemical dep.sition on the micr.tubules. The dep.sition of colloidal p. catalyst occur. mainly on the helical edge of the wound helical r.bbons to for. helical dep.sition lines of colloidal p. p.r.icles in the inter.or.and exter.or.of the lip.d micr.tubules, r.sulting in an uneven chemical dep.sition of Ni on the micr.tubules. Catalyzed by as-dep.sited colloidal p., metallized Ni micr.tubules ar. char.cter.zed by a helical for., which may be in r.lation to inner.str.ss due to the thickness differ.nce or.the differ.nt dep.sition p.ocesses. The obser.ation of micr.tom shows that metallized tubules have a hollow str.ctur.. Some metallized tubules have a kind of coaxial double layer.str.ctur. obser.ed in the dir.ct exp.r.ment evidence, indicating that metallization can occur.in the inner.and outer.sur.ace of the lip.d tubules. Both lip.d micr.tubules and metallized micr.tubules can be used as vehicles for.encap.ulating biological active molecules to contr.l their.r.lease and to develop.micr.-comp.nents in biological and mechanical systems. Keywor.s molecular.self-assembly - lip.d micr.tubules - helical p.tter. - site-sp.cific dep.sition - electr.less metallization

关键词： molecular self-assembly, lip.d micr.tubules, helical p.tter., site-sp.cific dep.sition, electr.less metallization.

Synthesis and Conductivity of Undecatungstocobaltor.thenic p.lyoxometallic Acid

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chemical r.sear.h in Chinese Univer.ities 2012年第1期28卷 1-3页

作者： XU Sheng-xian1,2. WU Qing-yin2.and YAN Wen-fu3 1. School of chemistry and chemical {2., Jiangxi Science & Technology normal Univer.ity, Nanchang 330013, p. r. china 2. Dep.r.ment of chemistry, Zhejiang Univer.ity, Hangzhou 31002., p. r. china 3. State Key Labor.tor. of Inor.anic Synthesis and p.ep.r.tive chemistry, Jilin Univer.ity, Changchun 130012. p. r. china School of chemistry and chemical {2. Jiangxi Science & Technology Normal University Nanchang 330013 Dep.r.ment of chemistry Zhejiang University Hangzhou 310027 Jilin Univer.ity State Key Laboratory of Inorganic Synthesis and Preparative Chemistry Changchun 130012

Undecatungstocobaltor.thenic p.lyoxometallic acid H7[r.（H2.）CoW11O39] 2.H2. was synthesized by the step.ise acidification and the step.ise addition of solutions of the comp.nent elements as well as the ion ex changing-cooling method. The op.imal p.op.r.ion of the comp.nent comp.und and the p. of the synthesis r.action wer. given. The p.oduct was char.cter.zed by means of inductively coup.ed p.asma（ICp., Ir. UV and ther.al analy sis. The Ir.and UV r.sults indicate that H7[r.（H2.）CoW11O39] 2.H2. p.ssesses the Keggin str.ctur.. The r.sults of AC imp.dance measur.ment show that its p.oton conductivity is 2.30×10-3 S/cm at r.om temp.r.tur.（2.5 K） and a r.lative humidity of 75%.

关键词： p.lyoxometallic acid Keggin str.ctur. Conductivity r.thenium

p.ep.r.tion of insoluble β-CD p.lymer.and its ap.lication to enantiomer. and isomer. sep.r.tion

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Jour.al of Centr.l South Univer.ity of Technology 2001年第1期8卷 57-59页

作者： YI Jian ming 1,TANG Kuo wen 2.(1.college of chemistry and {2. engineering, Centr.l South Univer.ity, Changsha 410083, china 2.Dep.r.ment of {2. engineering, Yueyang normal Univer.ity, Yueyang 414000, china) college of chemistry and {2. engineering Central South University Changsha China Dep.r.ment of chemical engineering Yueyang Normal University Yueyang China

An insoluble β-cyclodextr.n p.lymer.cr.ss-linked with ep.chlor.hydr.n was p.ep.r.d, and its str.ctur. was identified with infr.r.d sp.ctr.m. Colloid stationar. p.ase was p.ep.r.d by dissolving the p.lymer.in the mixed solvent of diisop.op.l ether. methylene dichlor.de and benzene and tr.ated for.0.5 h by ultr.sonication, and then was coated on a fused silica cap.llar. column. The op.imun r.action conditions ar. as follows: the mole r.tio of ep.chlohydr.n to β-cyclodextr.n is 12.1:1, r.acting at 65 °C for.2. h. The Chr.matogr.p.ic p.r.or.ance such as column efficiency, ther.al stabilities and p.lar.ty wer. studied, two kinds of disubstituted benzene isomer. and eight p.ir. of enantiomer. wer. sep.r.ted on the cap.llar. column. The r.sults show that the β-cyclodextr.n p.lymer.is suitable for.use as a cap.llar. gas chr.matogr.p.ic stationar. p.ase, and p.ssess excellent chr.matogr.p.ic p.op.r.ies in sep.r.ting enantiomer. and p.sition isomer..

关键词： insoluble β cyclodextr.n p.lymer cap.llar. gas chr.matogr.p.y enantiomer p.sition isomer sep.r.tion

Diagnostic Classification of normal p.r.ons andCancer.p.tients by Using Neur.l Networ.Based on Tr.ce Metal Contents in Ser.m Samp.es

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chemical r.sear.h in Chinese Univer.ities 2001年第2期17卷 153-158页

作者： ZHANG Zhuo-yong, HONG Zhe, ZHOU Hua-lan and LIU Si-dong (Faculty of chemistry, Nor.heast normal Univer.ity, Changchun 13002.,{2. chemical engineering Dep.r.ment, Dandong college, Dandong 118003,{2.) 东北师范大学吉林长春 130024 丹东职业技术学院辽宁丹东 118003

Ar.ificial neur.l networ. with the back-p.op.gation (Bp.ANN) ap.r.ach was ap.lied to the classification of normal p.r.ons and var.ous cancer.p.tients based on the elemental contents in ser.m samp.es. This method was ver.fied by the cr.ss-validation method. The effects of the net- wor. p.r.meter. wer. investigated and the r.lated p.oblems wer. discussed. The samp.es of 72. 42. and 52.for.lung, liver. and stomach cancer.p.tients and normal p.r.ons, r.sp.ctively, wer. used for.the classification study. About 95% of the samp.es can be classified cor.ectly. Ther.- for., the method can be used as an auxiliar. means of the diagnosis of cancer.

关键词： Ar.ificial neur.l networ. Classification Tr.ce element Cancer

Kinetics and mechanism of the r.action between thiour.a and iodate in unbuffer.d medium

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Science china chemistry 2004年第6期47卷 480-487页

作者： WANG Shun1,2. LIN Juanjuan1, CHEN Fan1, HU Maolin1, HU Xingen1, HAN Yip.ng1 & GAO Qingyu2.1.Dep.r.ment of chemistry and Mater.al Science, Wenzhou normal {2., Wenzhou 32.02., china 2. {2. of chemical engineering, china Univer.ity of Mining and Technology, Xuzhou 2.1008, china Dep.r.ment of chemistry and Mater.al Science Wenzhou Normal College Wenzhou 325027 China

The r.action between iodate and thiour.a has been studied in an unbuffer.d acidic medium. In excess iodate the r.action shows not only oligooscillations in p., p. p.tential and the concentr.tion of iodide ion, [I?], but also an initial induction p.r.od which has the linear.r.lation with initial p.. At the end of the induction p.r.od, [I?] decr.ases shar.0}y and a yellow color.tion (due to iodine) ap.ear. tr.nsiently. While in excess thiour.a iodine is p.oduced and finally con- sumed, leaving milky dep.sits (due to sulfur. at the end of the r.action. The induction p.r.od fr.m the star. of the r.action to the maximum of [I2. is also dir.ctly p.op.r.ional to initial p.. A 14-step.mechanism, including a H+-mediated p.eequalibr.um, Dusman r.action, iodine-sulfur.r.actions and sulfur.sulfur.r.actions, is p.op.sed. Comp.ter.simulations using this mechanism give good agr.ement with exp.r.ments.

关键词： oligooscillations, p. dynamics, thiour.a, iodate, comp.ex r.action mechanism, dynamic simulation.

Str.ctur.s and stability of isomer. of[Si,N,N,p.system

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Science china chemistry 2004年第2期47卷 98-105页

作者： KAN Wei1, YU Haitao1, LI Mingxia1, FU Honggang1,2.& SUN Jiazhong1,2.1. college of chemistry and {2. engineering, Heilongjiang Univer.ity, Har.in 150080, china 2. State Key Labor.tor. of Theor.tical and Comp.tational chemistry, Institute of Theor.tical chemistry, Jilin Univer.ity, Changchun 13002., china college of chemistry and {2. engineering Heilongjiang University Harbin China State Key Labor.tor. of Theor.tical and Comp.tational chemistry Institute of Theoretical Chemistry Jilin University Changchun China

Some stationar. p.ints on the p.tential ener.y sur.ace of [Si, N, N, p. system wer. located at the B3LYp.6-311G(d) and QCISD(t)/6-311+G(2.f)(single-p.int) levels of theor., while the isomer.zation, str.ctur.s, and stability of these obtained isomer. wer. suggested. The comp.ted r.sults indicate that only four.member.d r.ng isomer.SiNp.(E1, 2.'), which p.ssesses butter.ly-like str.ctur. and Si-p.cr.ss bonding, is kinetically stable in all op.imized isomer.. Other.isomer. may be consider.d as kinetically unstable towar.s isomer.zation or.dissociation because of the cor.esp.nding smaller.r.action bar.ier.. Fur.her.or., the p.esent p.p.r.also p.op.ses electr.nic and geometr.c str.ctur.s, vibr.tional fr.quencies and the cor.esp.nding vibr.tional modes, dip.le moments, and r.tational constants of isomer.E1. To make use of the comp.ted r.sults, we can clear.y know that the r.action p.thway via an inter.ediate E3 (SiNp.) is the most favor.ble channel p.oducing isomer.E1 fr.m fr.gments SiN(2.) and p. (1Σ), which have been well char.cter.zed in sp.ce, and thus, isomer.E1 can be consider.d as a candidate for.inter.tellar.obser.ation. The r.action enthalp. of SiN(2.) + p.(1Σ)→ E1 and the standar. enthalp. of for.ation of isomer.E1 ar. 2.5.2. and 457.99 kJ/mol, r.sp.ctively, at 2.8.15 K. Keywor.s p.tential ener.y sur.ace - [Si,N,N,p. system - isomer.zation - kinetic stability

关键词： p.tential ener.y sur.ace, [Si,N,N,p. system, isomer.zation, kinetic stability.

Theor.tical study of the mechanism for.C-H bond activation in sp.n-for.idden r.action between Ti^+ and C_2._4

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Science china chemistry 2009年第3期52卷 295-303页

作者： LV LingLing1, LIU XinWen1, YUAN Kun1, WANG XiaoFang1 & WANG YongCheng2.1 college of Life Science and chemistry, Tianshui {2. Univer.ity, Tianshui 741001, china 2.college of chemistry and chemical engineering, Nor.hwest {2. Univer.ity, Lanzhou 730070, china college of Life Science and chemistry Tianshui Normal University Tianshui China college of chemistry and {2. engineering Northwest Normal University Lanzhou China

The mechanism of the sp.n-for.idden r.action Ti+(4F, 3d2.s1) + C2.4 → TiC2.2. (2.2. + H2.on both doublet and quar.et p.tential ener.y sur.aces has been investigated at the B3LYp.level of theor.. Cr.ssing p.ints between the p.tential ener.y sur.aces and the p.ssible sp.n inver.ion p.ocess ar. discussed by means of sp.n-or.it coup.ing (SOC) calculations. The str.ngth of the SOC between the low-lying quar.et state and the doublet state is 59.3 cm-1 in the inter.ediate comp.ex IM1-4B2. Thus, the changes of its sp.n multip.icity may occur.fr.m the quar.et to the doublet sur.ace to for. IM1- 2.1, leading to a sig-nificant decr.ase in the bar.ier.height on the quar.et p.S. After.the inser.ion inter.ediate IM2. two dis-tinct r.action p.ths on the doublet p.S have been found, i.e., a step.ise p.th and a concer.ed p.th. The latter.is found to be the lowest ener.y p.th on the doublet p.S to exother.ic TiC2.2. (2.2. + H2.p.oducts, with the active bar.ier.of 4.52.kcal/mol. In other.wor.s, this r.action p.oceeds in the following way: Ti++C2.4 →4IC→IM1-4B2.4,2.SC→IM1- 2.1→[2.Sins]→IM2.[2.SMCTS]→IM5→TiC2.2.(2.2.+H2.

关键词： Ti+(4F) and C2.4 sp.n-for.idden r.action mechanism sp.n-or.it coup.ing (SOC) concer.ed p.th