2002 Volume 18 Issue 8

Spectra of Single Cyanobacterial Cells
Ying Li-Zhen , Huang Xu , Huang Bo , Zhao Jin-Dong , Zhao Xin-Sheng
2002, 18(08): 673-675  doi: 10.3866/PKU.WHXB20020801
[Abstract](3299) [FullText HTML] [PDF 1187KB](2678)
Abstract:
With confocal microscopy and grating spectrograph, the absorption and fluorescence emission spectra of single Anabaena strain PCC 7120 cells have been studied in intact filaments in situ. The different spectra between vegetative cells and heterocysts...
New Method to Analyze Protein-protein Interaction Interface
Gao Ying , Wang Ren-Xiao , Lai Lu-Hua
2002, 18(08): 676-679  doi: 10.3866/PKU.WHXB20020802
[Abstract](3249) [FullText HTML] [PDF 1374KB](2540)
Abstract:
Hydrophobicity and hydrogen bonds are main factors verning protein-protein interaction. We have developed a new method, which only uses these two characteristics to figure the properties of protein-protein interface. With this method, we can easily ...
Molecular Simulation on Adsorption of Methane in Mesopore MCM-41
Zhang Xian-Ren , Wang Wen-Chuan
2002, 18(08): 680-685  doi: 10.3866/PKU.WHXB20020803
[Abstract](4270) [FullText HTML] [PDF 1677KB](3006)
Abstract:
Using grand canonical ensemble Monte Carlo method, adsorption isotherms, phase transition behaviors and structures of methane adsorbed in two pores of MCM-41, with 3.5 and 5.0 nm diameters, at 74.05 K and 300 K have been simulated. It is found that c...
The pH Effect on the Fluorescence of Linear Poly-amino-compounds and the Recognition of Nucleoside Phosphates
Mei Ming-Hua , Yan Jing-Jing , Wu Shi-Kang
2002, 18(08): 686-691  doi: 10.3866/PKU.WHXB20020804
[Abstract](3179) [FullText HTML] [PDF 1767KB](2427)
Abstract:
Three kinds of naphthalene containing poly-amino-compounds with different chain length have been synthesized in this work. Their fluorescence spectra were recorded under different pH conditions and showed that the fluorescence intensity of studied co...
Characteristics of Adsorption and Desorption of Hydrogen on Multi-walled Carbon Nanotubes
Zhou Zhen-Hua , Wu Xiao-Man , Wang Yi , Lin Guo-Dong , Zhang Hong-Bin
2002, 18(08): 692-698  doi: 10.3866/PKU.WHXB20020805
[Abstract](4185) [FullText HTML] [PDF 2068KB](4032)
Abstract:
Storage capacities of H2 in a kind of multi-walled carbon nanotubes (MWCNTs) and its corresponding system modified with K+ salt were measured using volumetric method, and characteristics of adsorption and desorption of hydrogen on MWCNTs were studied...
A New Bridge Functional and Its Application to Density Functional Approach for Non-uniform Fluid
Zhou Shi-Qi , Zhang Xiao-Qi
2002, 18(08): 699-704  doi: 10.3866/PKU.WHXB20020806
[Abstract](3932) [FullText HTML] [PDF 630KB](2657)
Abstract:
To extend the recently proposed density functional theory(DFT)methodology to non-uniform non-hard sphere fluid, a new bridge functional as a function of indirect correlation function was proposed, which was based on analysis on the asymptotic behavio...
Determination of the Li+ Diffusion Coefficient in Graphite By the Method of the Ratio of Potentio-charge Capacity to Galvano-charge Capacity
Tang Xin-Cun , He Li-Ping , Chen Zong-Zhang , Xia Xi
2002, 18(08): 705-709  doi: 10.3866/PKU.WHXB20020807
[Abstract](4252) [FullText HTML] [PDF 1661KB](3197)
Abstract:
A novel electrochemical method (RPG method) has been theoretically and experimentally developed to determine the diffusion coefficient of intercalary species within insertion-host materials on the basis of the spherical diffusion model. Theoretical r...
The Spin-lattice Relation Time and Chemical Shift of Water in CPCWS by Proton NMR Spectroscopy
Chen Yue-Hua , Guo Xian-Rong , Du Xi-Lin , Guo Guo-Lin
2002, 18(08): 710-715  doi: 10.3866/PKU.WHXB20020808
[Abstract](2691) [FullText HTML] [PDF 1877KB](2610)
Abstract:
The coal-petroleum coke-water slurries(CPCWS) are complex fluids. It has been known that the 1H-NMR can provide the quantitative information on the hydrophobic property of carbonaceous solid and on the microstructure and dynamics behavior about water...
Study on High Accurate Quantum Chemical Calculations Carried Out in a Local Region of a System
Mo Yi , Li Le-Min
2002, 18(08): 716-720  doi: 10.3866/PKU.WHXB20020809
[Abstract](3594) [FullText HTML] [PDF 1372KB](2591)
Abstract:
The method proposed by us to carry out high accurate density functional calculations in a local region of a large system was applied to the calculation of a series of different type of molecules and the data such as Mulliken charges, bond lengths, bo...
The Reaction Path and Varitional Rate Constant of the Reaction CH3+CH3NO2→CH4+CH2NO2
Ji Yong-Qiang , Feng Wen-Lin , Hao Mao-Rong , Li Hui-Ying
2002, 18(08): 721-726  doi: 10.3866/PKU.WHXB20020810
[Abstract](3723) [FullText HTML] [PDF 1479KB](2992)
Abstract:
The geometries of the reactants, transition state, and products of hydrogen transfer reaction CH3+CH3NO2→CH4+CH2NO2 have been optimized at the UMP2(full)/6-311G(d, p) level. The forward and reverse reaction potential barriers are 58.21 kJ•mol-1 and 6...
Study on the PMMA Containing Samarium Prepared by the Non-Water Gel In Situ Polymerization
Lin Mei-Juan , Zhang Wen- ng , Wang Wen
2002, 18(08): 727-731  doi: 10.3866/PKU.WHXB20020811
[Abstract](3128) [FullText HTML] [PDF 1770KB](2656)
Abstract:
It was reported that after the rapid formation of a gel by mixing of MMA and samarium triisopropoxide, the PMMA materials containing samarium were prepared by the in situ polymerization, the so called the non-water gel in situ polymerization. The eff...
Electrochemical Preparation of Y-Mg-Co Alloy Film from Dimethylformamide Bath
Wang Jian-Chao , He Feng-Rong , Liu Guan-Kun , Tong Ye-Xiang
2002, 18(08): 732-736  doi: 10.3866/PKU.WHXB20020812
[Abstract](3836) [FullText HTML] [PDF 1620KB](2420)
Abstract:
The cyclic voltemmetry method was used to investigate the electrochemical behaviors of Y(Ⅲ),Mg(Ⅱ)and Co(Ⅱ) in Y(NO3)3-LiClO4-DMF,Mg(ClO4)2-LiClO4-DMF and CoCl2-LiClO4-DMF systems on Pt cathode. Experimental results indicate that the electro-reduction...
Quantum Chemical Calculation on Structure and Potential Energy Curve for the Ground State of Molecule LaH
Chen Lin-Hong , Shang Ren-Cheng
2002, 18(08): 737-740  doi: 10.3866/PKU.WHXB20020813
[Abstract](3087) [FullText HTML] [PDF 1229KB](2742)
Abstract:
The equilibrium geometry and potential energy curve for the ground state of molecule LaH have been calculated on several single-reference state methods of HF,B3LYP,MPn,QCISD(T) with energy-consistent relativistic effective core potential approximatio...
The AC Impedance Study of Calmodulin Modified on Au Electrode
Ding Ke-Qiang , He Xiao-Ling , Wang Qing-Fei , Jiang Dian-Lu , Bai Juan , Tong Ru-Ting , Wang Xin-Kui
2002, 18(08): 741-745  doi: 10.3866/PKU.WHXB20020814
[Abstract](4133) [FullText HTML] [PDF 1731KB](2663)
Abstract:
Calmodulin(CaM) as a major intracellular Ca2+ receptor, was self-assembled on Au electrode and investigated by electrochemical impedance spectroscopy(EIS). The results demonstrated that the self-assembly process of CaM could be divided into rapid and...
Synthesis and Crystal Structure of (μ3-S)FeCo2(CO)7(dppfe)
Zhang Hao , Suo Quan-Ling , Wang Yi-Bin , Wang Li , Weng Lin-Hong , Leng Xue-Bing
2002, 18(08): 746-749  doi: 10.3866/PKU.WHXB20020815
[Abstract](3391) [FullText HTML] [PDF 1162KB](2220)
Abstract:
The new mixed metal cluster (μ3-S)FeCo2(CO)7(dppfe) (2) (dppfe= Ph2PC5H4FeC5H4PPh2) has been synthesized by facile substitution reaction, in which dppfe replaces two equatorial carbonyls from two Co(CO)3 groups, respectively. IR, 1H NMR, MS and X-ray...
Electrochemical Performance of RuO2/Active Carbon Composite Electrodes
Wang Xiao-Feng , Wang Da-Zhi , Liang Ji , Liu Qing-Guo
2002, 18(08): 750-753  doi: 10.3866/PKU.WHXB20020816
[Abstract](3845) [FullText HTML] [PDF 1659KB](2893)
Abstract:
Supercapacitors are playing great roles in research-and-development field of power engineering as a new energy store device. The porous carbon material developed in our laboratory exhibits perfect physical structure and properties. Its od electroche...
Study of SPS and XPS of Pd/ZnO and Ag/ZnO Composite Nanoparticles
Jing Li-Qiang , Sun Xiao-Jun , Cai Wei-Min , Zheng Da-Fang , Xu Yue , Xu Zhao-Peng , Xu Zi-Li , Du Yao-Guo
2002, 18(08): 754-758  doi: 10.3866/PKU.WHXB20020817
[Abstract](4471) [FullText HTML] [PDF 1599KB](3167)
Abstract:
ZnO nanoparticles were prepared by calcining the precursor, zinc carbonate hydroxide,and Pd/ZnO and Ag/ZnO composite nanoparticles with the noble metal content of 0.5%(mass fraction) were obtained by photoreduction method. The as-prepared samples w...
Product Distribution of Conversions of Methane and Carbon Dioxide Using Dielectric Barrier Discharge
Zou Ji-Jun , Li Yang , Zhang Yue-Ping , Liu Chang-Jun
2002, 18(08): 759-763  doi: 10.3866/PKU.WHXB20020818
[Abstract](3794) [FullText HTML] [PDF 1404KB](2608)
Abstract:
Direct conversion of methane to more useful chemicals and fuels remains a challenge for the 21st century because of the high stability of methane molecule. In this work, direct conversion of methane and carbon dioxide using dielectric barrier dischar...
Electrochemical Preparation of Er-Ni-Co Alloy Film in DMSO
Li Gao-Ren , Tong Ye-Xiang , Liu Guan-Kun , Xu Chang-Wei
2002, 18(08): 764-768  doi: 10.3866/PKU.WHXB20020819
[Abstract](3602) [FullText HTML] [PDF 1815KB](2610)
Abstract:
The cyclic voltammetry and potentiostatic electrolysis were used to investigate the preparation of Er-Ni-Co alloy films in LiClO4-DMSO system. Experimental results indicate that Er-Ni-Co alloy films containing Er from 9.21% to 18.90% were prepared fr...
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