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Size effect of fullerene cages and encaged clusters in M3N@C2n

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Science china chemistry 2009年第5期52卷 584-589页

作者： GAN LiHua school of chemistry and chemical engineering, southwest university, chongqing 400715, china school of chemistry and chemical engineering Southwest University Chongqing China

Based on the calculated findings that the sizes of encaged clusters determine the structures and the stability of C80-based trimetallic nitride fullerenes (TNFs), more extensive density functional theory calculations were performed on M3N@C68, M3N@C78 and M3N@C80 (M=Sc, Y and La). The calculated results demonstrated that the structures and stability undergo a transition with the increasing of the sizes of the cages and clusters. Sc3N is planar inside the three considered cages, Y3N is slightly pyramidal inside C68-6140 and C78-5 and planar inside I h C80-7, however, La3N is pyramidal inside all the three cages. Those cages with pyramidal clusters inside deformed considerably, compared with their parent cages. In these cases, the bonding of metallic atoms toward the cages does not play an impor-tant role, and the encaged cluster tends to be located inside the cages with the largest M-M and M-C distances so that the strain energy can be released mostly. These calculations revealed the size effect of fullerene cages and encaged clusters, and can explain the position priority of M3N inside fullerene cages and the differences in yield of M3N@C2n.

关键词： trimetallic nitride fullerenes (TNFs) density functional theory (DFT) size effect stability

The resonance Rayleigh scattering of the interaction of copper(Ⅱ)-bleomycinA2 with DNA and its analytical application

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Science china chemistry 2010年第3期53卷 618-624页

作者： LIU JiangTao1,LIU ShaoPu2 & LIU ZhongFang2 1school of chemistry,chongqing Normal university,chongqing 400300,china 2school of chemistry and chemical engineering,southwest university,chongqing 400715,china school of chemistry Chongqing Normal University Chongqing China school of chemistry and chemical engineering Southwest University Chongqing China

The forming of bleomycinA2-Cu(Ⅱ) cationic chelate and the interaction of the chelate with DNA have been investigated by using resonance Rayleigh scattering(RRS),molecular absorption and fluorescence *** result shows that in aqueous solution,bleomycinA2(BLMA2) can react with Cu(Ⅱ) to form 1:1 cationic chelate which contributes to the changes of the absorption spectra and the quenched fluorescence of *** the cationic chelate further bound with DNA to form ternary ion-association complexes,the remarkable enhancement of the RRS intensity was *** this work,the optimum conditions for the coordination reaction of BLMA2 with Cu(Ⅱ) and some influencing factors have been *** reaction mechanism of BLMA2-Cu(Ⅱ) binding with DNA was suggested and a binding model was *** addition,the fluorescence quenching type of BLMA2 was investigated.A highly sensitive,simple and rapid new method for the determination of DNA by using BLMA2-Cu(Ⅱ) as RRS probe has been *** detection limits(3σ) are 7.2 ng/mL for ctDNA,7.1 ng/mL for sDNA and 18 ng/mL for *** method can be applied to the determination of trace amounts of DNA.

关键词： bleomycinA2 Cu(Ⅱ) DNA resonance Rayleigh scattering fluorescence quenching

Resonance Rayleigh scattering study of the interaction of bleomycinA_5 with nucleic acids and its analytical application

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Science china chemistry 2007年第5期50卷 629-637页

作者： LIU JiangTao1,2, LIU ZhongFang1 & LIU ShaoPu1 1 school of chemistry and chemical engineering, southwest university, chongqing 400715, china 2 Department of chemistry, Fuling Normal university, chongqing 408000, china school of chemistry and chemical engineering Southwest University Chongqing China Department of chemistry Fuling Normal University Chongqing China

The interaction of bleomycinA5 with nucleic acids has been investigated byusing resonance Rayleigh scattering (RRS),molecular absorption and fluorescence *** resultshows that in near pH 2.2 buffer medium and absence of any metal ions,nucleic acids are capable ofbinding with bleomycinA5 (BLMA5) to form complexes which can remarkably enhance the RRS intensityand result in batho-chromic and hyperchromic molecular absorption of nucleic acids and fluorescencequenching of *** RRS spectral characteristics for the binding products of bleomycinA5with various DNA and RNA are similar,and the maximum RRS peaks are at 301 nm for ctDNA and sDNA,370nm for hsDNA,310 nm for RNAtypeVI and RNAtypelll,*** increments of RRS intensity aregreatly different in which DNA enhances greatly and RNA enhances *** this work,the optimumconditions of the interaction and some influencing factors have been *** reactionmechanism and a binding model for the interaction of BLMA5 with the nucleic acids are ***,a highly sensitive,simple and rapid new method for the determination of DNA has *** detection limits (3 sigma) are 5.7 ng/mL for ctDNA,7.4 ng/mL for sDNA and 9.2 ng/mLfor hsDNA,*** method can be applied to determination of trace amounts of DNA.

关键词： bleomycinA5, nucleic acids, resonance Rayleigh scattering, fluorescence quenching, absorption spectrum.

The interaction between furosemide-palladium (Ⅱ) chelate and basic triphenylmethane dyes by resonance Rayleigh scattering spectra and resonance non-linear scattering spectra and their analytical applications

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Science china chemistry 2010年第8期53卷 1767-1777页

作者： LI CuiXia,LIU ShaoPu,LIU ZhongFang & HU XiaoLi Key Laboratory on Luminescence and Real-Time Analysis,Ministry of Education school of chemistry and chemical engineering,southwest university,chongqing 400715,china Key Laboratory on Luminescence and Real-Time Analysis Ministry of Education school of chemistry and chemical engineering Southwest University Chongqing China

In pH 4.5-7.0 Britton-Robinson buffer solution,furosemide (FUR) reacted with Pd (II) to form a 1:1 anionic *** chelate could further react with such basic triphenylmethane dyes (BTPMD) as ethyl violet (EV),crystal violet (CV),methyl violet (MV),methyl green (MeG) and brilliant green (BG) to form 1:1 ion-association *** not only resulted in the change of absorption spectra,but also led to the significant enhancement of resonance Rayleigh scattering (RRS),second-order scattering (SOS) and frequency doubling scattering (FDS).The maximum RRS wavelengths were located at 324 nm for the EV,CV and MV system,and 340 nm for the BG and MeG *** maximum SOS wavelengths were located at 550 nm for the EV,CV,BG and MeG system,and 530 nm for the MV *** maximum scattering peaks of all the systems were at 392 nm for *** enhanced RRS,SOS and FDS intensities were directly proportional to the concentration of *** detection limits for the different dye systems were 0.3-4.9 ng mL-1 for the RRS method,3.2-33.1 ng mL-1 for the SOS method and 9.0-85.7 ng mL-1 for the FDS *** methods could be used for the determination of trace amounts of *** effects of the formation of ternary ion-association complexes on the spectral characteristics and intensities of absorption,RRS,SOS and FDS have been *** optimum conditions of these reactions,the influencing factors and the analytical properties have been *** influences of coexisting substances were tested by RRS method and the results showed that this method exhibited a high *** on the aforementioned research,the highly sensitive,simple and rapid methods for the determination of trace amounts of FUR by resonance light scattering technique have been established,which could be applied to the determination of FUR in tablet,injection,human serum and urine *** composition and structure of the ternary ion-association complex and the reaction mechanism were discusse

关键词： furosemide basic triphenylmethane dyes palladium (Ⅱ) resonance Rayleigh scattering resonance non-linear scattering

Aptamer-based competitive electrochemical assay of small biomolecules

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Science china chemistry 2011年第5期54卷 822-826页

作者： ZHANG YuYong,XIANG Yun,CHAI YaQin & YUAN Ruo Key Laboratory on Luminescence and Real-Time Analysis,Ministry of Education school of chemistry and chemical engineering,southwest university,chongqing 400715,china Key Laboratory on Luminescence and Real-Time Analysis Ministry of Education school of chemistry and chemical engineering Southwest University Chongqing China

A convenient aptamer-based competitive electrochemical biosensor for a small biomolecule,adenosine,was described. The sensing surface was fabricated by self-assembly of an aptamer/mercaptohexanol monolayer on a gold disk electrode. The principle of this aptasensor is based on the competition between an adenosine target molecule and a ferrocene-conjugated signaling DNA strand for the aptamer binding site on the sensing surface. Due to the competitive nature of this assay,the electrochemical responses of the surface captured ferrocene are inversely proportional to log[adenosine] in the range from 0.05 to 3.2 μM,with a detection limit of 25 nM. Moreover,the aptasensor also shows high selectivity for adenosine. The proposed aptasensor thus holds great potential for the detection of other small biomolecules.

关键词： aptamer adenosine biosensor competitive assay differential pulse voltammetry

ECSTM study of adsorption of C_(60),C_(70),C_(86) and Y@C_(82) on Au(111)

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Science china chemistry 2010年第8期53卷 1705-1710页

作者： SU GuiJin1,JIA ManKe1,GAN LiHua2 & SHI RuiFang1 1State Key Laboratory of Environmental chemistry and Ecotoxicology Research Center for Eco-Environmental Sciences,Chinese Academy of Sciences,Beijing 100085,china 2school of chemistry and chemical engineering,southwest university,chongqing 400715,china State Key Laboratory of Environmental chemistry and Ecotoxicology Research Center for Eco-Environmental Sciences Chinese Academy of Sciences Beijing China school of chemistry and chemical engineering Southwest University Chongqing China

The adsorption of a variety of fullerenes (C60,C70,C86,Y@C82) on Au(111) electrode surfaces was comprehensively investigated in 0.1 M HClO4 by electrochemical scanning tunneling microscopy (ECSTM).In the ordered C60's adlayer,C60 molecules formed either (2(1/3) × 2 3～(1/3))or "in-phase" *** high resolution STM image shows that the C60 cage is not simply round but shows a bifurcated *** adsorption orientation of C60 on Au(111) is tentatively *** the ordered C70's adlayer,the perpendicular fullerene molecules are the main adsorption mode and form (2 3～(1/3) × 2 3～(1/3)) ***,for C86 and Y@C82,the ordered adlayer could not be obtained on Au(111) under the present *** differences may be due to the different molecular shapes and sizes,and the encapsulated metal atom which affects the lattice matches with the *** adsorption of fullerene molecules on Au(111) from disorder to order could be tuned simply by steering the dimensional sizes or shapes of the fullerenes used.

关键词： C60 C70 C86 Y@C82 ECSTM Au(111)

Influences of π-π Stacking on Excited State Properties and Electronic Spectra of Co-aggregate Including Dicyanonaphthalene and Pyrazoline:A Theoretical Study

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Influences of π-π Stacking on Excited State Properties and...

Synthesis of Sulfanilamide-derived Quinoline 1,2,4-Triazoles as New Potential Antimicrobial Agents

中国化学会第28届学术年会

作者： Yulan Dai,Rongxing He school of chemistry and chemical engineering,southwest university,chongqing 400715,PR china

＜正＞The attractive features of aggregates are their new functionalities that have special properties and excellent photo-electric conversion efficiency which are not given in the individual molecules.[1] These features render them in the applications of novel technological areas,such as organic solar cells. However,the nature of the weak

关键词： aggregates TDDFT π-π stacking interaction excited state

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Synthesis of Sulfanilamide-derived Quinoline 1,2,4-Triazoles...

Novel Berberine Nitroimidazoles:Design,Synthesis and Their Antibacterial and Antifungal Activities

2011年全国药物化学学术会议——药物的源头创新

作者： Zhang Bo,Yan Wang,and Zhou Cheng-He~* school of chemistry and chemical engineering,southwest university,chongqing 400715,china

＜正＞Sulfonamides as effective antimicrobial agents have been extensively employed in prevention and cure of bacterial infections for many *** interest focused on the researches of sulfonamide *** previous work group found some sulfanilamide-derived triazole compounds with potential antibacterial *** on the large potential of triazole

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Novel Berberine Nitroimidazoles:Design,Synthesis and Their A...