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Formation and evolution mechanisms of large-clusters during rapid solidification process of liquid metal Al

Science china(Physics,Mechanics & Astronomy) 2005年第1期48卷 101-112页

作者： LIU Rangsu, DONG Kejun, LIU Fengxiang, ZHENG Caixing, LIU Hairong & LI Jiyong Department of Applied Physics, hunan university, changsha 410082. china college of Materials Science and engineering, hunan university, changsha 410082. china college of chemistry and chemical engineering, hunan university, changsha 410082. china Department of Applied Physics Hunan University Changsha 410082 China college of Materials Science and engineering Hunan University Changsha 410082 China college of chemistry and chemical engineering Hunan University Changsha 410082 China

A molecular dynamics simulation study has been performed for the formation and evolution characteristics of nano-clusters in a large-scale system consisting of 400000 atoms of liquid metal Al. The center-atom method combined with pair-bond analysis technique and cluster-type index method (CTIM) has been applied here to describe the structural configurations of various basic clusters. It is demonstrated that both the 1551 bond-type and the icosahedral cluster (12 0 12 0) constructed by 1551 bond-types are dominant among all the bond-types and cluster-types, respectively, in the system and play a critical role in the microstructure transitions of liquid metal Al. The nano-clusters (containing up to 150 atoms) are formed by the combination of some middle and small clusters with distinctly different sizes, through mutual competition by unceasing annex and evolution in a seesaw manner (in turn of obtaining and losing),which do not occur as the multi-shell structures accumulated with an atom as the center and the surrounding atoms are arranged according to a certain rule. This is the essential distinction of nano-cluster in liquid metal from those obtained by gaseous deposition, ionic spray methods, and so on. Though the nano-clusters differ from each other in shape and size, all of them possess protruding corners that could become the starting points of various dendrite structures in the solidification processes of liquid metals.

关键词： liquid metal, solidification process, large-cluster configuration, evolution mechanism, computer simulation.

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Inductance-based sensing technique for wireless,remote-query measurement in liquid media

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Science china chemistry 2010年第6期53卷 1391-1397,1460页

作者： MA Lin,NIE Zhou,HUANG Yan & YAO ShouZhou State Key Laboratory of Chemo/Biosensing and Chemometrics,college of chemistry and chemical engineering,hunan university,changsha 410082.china State Key Laboratory of Chemo/Biosensing and Chemometrics College of Chemistry and Chemical Engineering Hunan University Changsha China

A novel inductance-based sensing technique is presented for remote query measurement in different liquid media including organic solvents and inorganic *** inorganic solutions tested included salt solutions of different concentrations,and the organic solvents detected included 1,4-dioxane and *** extend the application of the sensor,bacterial culture media were also detected,and the growth of Escherichia coli (***) was *** influential factors which may affect the inductance responses were studied in *** was found that quantitative relationships exist between the sensor’s inductance response and the physico-chemical parameters of the liquid *** sensor’s inductance response (L) decreases with the increase of salt concentration (C) and its ionic valence (e) according to a semi-logarithmic equation LgL =-aeC + b,where a and b are constants,which is in accordance with the theoretically deduced *** inductance variation rate (ΔK) increases directly with the temperature (T): ΔK = a′ T + b′.As for organic solutions,the sensor’s inductance was found to increase with the increasing permittivity of the organic *** wireless sensor we designed is simple and easy to *** has the potential for remote determination of not only chemical substances but also microbiological species such as *** the newly developed inductance-based sensor,the pathogenic *** was monitored with a limit of detection of 10 cells/mL and a linear semi-logarithmic range of 1.0 × 101 to 2.5 × 109 cells/mL.

关键词： inductance sensor remote-query liquid medium wireless bacterial detection E. coli.

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Piezoelectric transmission spectroelectrochemistry with a normal piezoelectric quartz crystal as an optically-transparent electrode

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Chinese Journal of chemistry 1994年第5期12卷 425-431页

作者： XIE, Qing-Ji PANG, Xiao-Yong NIE, Li-Hua YAO, Shou-Zhuo Department of chemistry and chemical engineering, hunan university, changsha, hunan 410082. china Department of chemistry and chemical engineering Hunan University Changsha Hunan 410082 China

Piezoelectric transmission spectroelectrochemistry (PTSEC), i.e., the combination of electrochemistry and spectroelectrochemistry (SEC) with electrochemical quartz crystal microbalance (EQCM) technique is reported by using a normal piezoelectric quartz crystal (PQC) as an optically-transparent electrode (OTE). A theoretical relationship between the PQC response and the spectroelectrochemical response is derived and used to estimate the apparent molar absorptivity of the absorbing species deposited on the OTE on the PQC surface. The complex of copper with aspartic acid is used to test this new PQC-SEC technique. Results show that the combination of three such diverse techniques provides a very useful methodology for studying electrode processes and electrode surface characteristics in situ.

关键词： Piezoelectronic transimission spectroelectrochemistry optically-transparent electrode electrochemical quartz crystal microbalance copper aspartic acid.

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Study on H atoms diffusion and adsorption properties of MgH_2-V systems

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Science china(Technological Sciences) 2008年第7期51卷 979-988页

作者： ZHOU DianWu1,2, LIU JinShui3 & PENG Ping3 1 State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body, hunan university, changsha 410082. china 2 college of Mechanical and Automatic engineering, hunan university, changsha 410082. china 3 college of Materials Science and engineering, hunan university, changsha 410082. china State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body Hunan University college of Mechanical and Automatic engineering Hunan University college of Materials Science and engineering

Based on experimental results that VH0.81/MgH2 interface was found during the process of mechanically milling MgH2+5at.%V nanocomposite, H atoms diffusion and adsorption properties of MgH2-V systems have been investigated by using a first-principles plane-wave pseudopotential method based on the density functional theory. The results are as follows. When VH/MgH2 interface is formed due to V alloying MgH2 phase, the vacancy formed by H atoms near VH phase region is more stable than that without V alloying, while vacancy near MgH2 phase region is less stable than that without V alloying. During the process of H atoms diffusion after V alloying, the max migration barrier energy of H atoms in MgH2-V systems is reduced compared with that of MgH2 phase, which means that H atoms diffuse easily. When H diffuses into VH from MgH2 across VH/MgH2 interface, among three substitutions such as the replacement of H for V vacancy, or interstitial site or V atoms, the replacement of H for V vacancy has the strongest diffusion ability, next interstitial site, and finally V atoms site. As far as H adsorbed on different surfaces of VH phase is concerned, physical adsorption is carried out more easily than chemical adsorption, and the behavior of H atoms adsorbed on the surface near VH phase region can be found more easily than that near MgH2 phase region.

关键词： plane-wave pseudopotential theory magnesium hydride diffusion adsorption

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Cell-SELEX-based aptamer-conjugated nanomaterials for enhanced targeting of cancer cells

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Science china chemistry 2011年第8期54卷 1218-1226页

作者： KONG RongMei, CHEN Zhuo, YE Mao, ZHANG XiaoBing & TAN WeiHong State Key Laboratory for Chemo/Biosensing and Chemometrics college of chemistry and chemical engineering, hunan university, changsha 410082. china State Key Laboratory for Chemo/Biosensing and Chemometrics college of chemistry and chemical engineering Hunan University Changsha China

Early detection and treatment of cancer depends on developing highly sensitive and specific methods for targeting cancer cells. To do this, aptamers, which are generated by a novel technique caUed ceU-SELEX （systematic evolution of ligands by exponential enrichment）, have been widely applied in cancer cell targeting based on such merits as high target affinity and specificity, small size, minimal immunogenicity, and ease of chemical modification. Furthermore, aptamers can gain more flexibility as cancer cell targeting tools when conjugated to nanomaterials, including metallic nanoparticles, quantum dots, silica nanoparticles, and carbon nanomaterials, among others. In this review, we discuss the use of cell-SELEX-based aptamer-nanomaterials conjugates as novel molecular tools for enhanced targeting of cancer cells.

关键词： celI-SELEX aptamer nanomaterial cancer cells targeting

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Synthesis and purification of trialkyl compounds of gallium and indium

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Rare Metals 2002年第1期21卷 1-6页

作者： SHU Wangen, ZHOU Zhongcheng and LI Xiong chemistry and chemical engineering college, Central South university, changsha 410083, china chemistry and chemistry engineering college Central South University Changsha 410083 chemistry and chemical engineering college Central South University Changsha 410083

The The research progress in trialkyl compounds of gallium andindium was discussed from two aspect, one was the chemical synthesisof the compounds and the other was the purification of them. Thereare three synthesis routes be- ing reported in the first aspect, *** route staring form pure metal, the route starting from the puremetal trihalides, and the electrochemical route. In the secondaspect, the purifying methods of decomposition-distillation and zonerefining were reviewed.

关键词： trialkyl compounds gallium nd indium synthesis purification

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Development of novel and sensitive sensors based on microcantilever of atomic force microscope

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Progress in Natural Science:Materials International 2006年第5期16卷 445-451页

作者： JIN Yan, WANG Kemin and JIN Rong (State Key Laboratory of Chemo/Biosensing and Chernometrics, Institute of Biological Technology, college of chemistry and chemical engineering, hunan university, changsha 410082. china) State Key Laboratory of Chemo/Biosensing and Chemometrics Institute of Biological Technology College of Chemistry and Chemical Engineering Hunan University Changsha 410082 China

Recently, the development of sensors based on microfabricated cantilevers of atomic force microscope (AFM) has attracted considerable attention from the designers of novel physical, chemical, and biological sensors. Many kinds of sensors have been developed taking the advantages of its high-resolution imaging, force measurement and force sensitivity, such as immunosensor and DNA biosensor and the sensors for detection of intermolecular interaction. This paper reviews the progress made in this field and discusses the signal transfer principles by which the design of the sensors is achieved.

关键词： atomic force microscopy microcantilever sensor.

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Effect of static magnetic field on activity of immobilized α-amylase

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Chinese Science Bulletin 1997年第2期42卷 127-130页

作者： YAN Liushui, ZHU Yuanbao, HE-Shuang’e and CAO Zhixiang1 Department of chemical engineering, Nanchang Institute of Aeronautical Technology, Nanchang 330034, china 2. Department of chemistry and chemical engineering, hunan university, changsha 410082. china Department of chemical engineering Nanchang Institute of Aenwututical Techndogy Nanchang China Department of chemistry and chemical engineering Hunan University Changsha China

BIOLOGICAL effect of magnetic field is one of the three major subjects of contemporary biomagnetism, and is also the basis of applied biomagnetism. In order to explore magnetic biological effects, the influence of various sorts of magnetic field on many living systems as well as their different constructural levels has been extensively studied. However, only a few studies with in vitro enzyme have been reported, and few researches concerning the influence of magnetic field on immobilized enzyme reactions have been published. This note describes

关键词： static magnetic field immobilized α-amylase enzyme activity oscillatory behaviour.

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Electrochemical characteristics of amorphous MgTi_xNi(x = 0,0.1,and 0.2) hydrogen storage alloys

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Rare Metals 2010年第5期29卷 486-490页

作者： LIU Suqin,ZHAO Wenjuan,HUANG Kelong,and HUANG Hongxia college of chemistry and chemical engineering,Central South university,changsha 410083,china college of chemistry and chemical engineering Central South University Changsha China

MgTixNi （x = 0, 0.1, and 0.2） alloys were successfully prepared by mechanical alloying （MA）, and the influence of milling time on the electrochemical characteristics of the electrodes was discussed. MgTixNi alloys after 90 h milling displayed the best electrochemical performance The X-ray diffraction patterns showed that the alloy ball-milled for 90 h was amorphous with a widened diffraction peak. The charge-discharge tests indicated that these alloys had good electrochemical activation properties, and the MgTi0.2Ni alloy electrode exhibited the best cycle performance. The initial discharge capacity of the MgTi0.2Ni alloy reached up to 401.1 mAh·g^-1, and the retention rate of capacity was 31.0% after 30 cycles, much higher than that of MgNi （17.3%）. The Tafel polarization curves revealed that Ti addition could enhance the anticorrosion performance of these alloys in alkali solution, which was responsible for the ameliorated cyclic stability of these alloy electrodes.

关键词： hydrogen storage alloys titanium electrochemical properties mechanical alloying

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Boron rings containing planar octa- and enneacoordinate cobalt, iron and nickel metal elements

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Science china chemistry 2008年第7期51卷 607-613页

作者： LUO Qiong School of chemistry and chemical engineering, Central South university, changsha 410083, china School of chemistry and chemical engineering Central South University Changsha China

For a series of boron rings with planar hyper-coordinate 8th group transition metal atoms, singlet 1FeB8-2, multiplet kFeB9n (n = -1, k = 1; n = 0, k = 2), singlet 1CoB8n(n = -1, +1, +3), multiplet kCoB9n (n = +1, k = 2; n = 0, k = 1) and singlet 1NiB9+, the geometry structures have been optimized to be local minima on corresponding potential hyper-surfaces. The electron structures are discussed by orbital analysis and the aromaticity is predicted by nucleus-independent chemical shifts calculation at both the B3LYP/6-311+G* and BP86/6-311+G* levels of theory, respectively. The results suggest that all these structures with high symmetry planar geometries are stable and have aromatic properties with six π valence electrons.

关键词： planar hyper-coordinate transition metal DFT

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