Table of Contents

• Table of Contents for Vol.25 No.5
• 2009, 25 (05): 0.

• 2284Abstract/Metrics
• 1816 PDF(2799KB)

ARTICLE

• Human Immunodeficiency Virus Integrase Pharmacophore Model Derived from Diketoacids Inhibitors
• ZHANG Xiao-Yi, LIU Bin, HE Hong-Qiu, YANG Dong, WANG Cun-Xin
• We have developed a three-dimensional pharmacophore model for the human immunodeficiency virus type I (HIV-1) integrase ...
• 2009, 25 (05): 817-824. DOI: 10.3866/PKU.WHXB20090505

• 4756Abstract/Metrics
• 2389 PDF(4011KB)

• Preparation and Catalytic Properties of SWNTs-Supported Pd Catalyst
• CAO You-Ming, WANG Zhi-Yong, SHI Zu-Jin, GU Zhen-Nan
• A Pd catalyst supported by single-walled carbon nanotubes (SWNTs) was prepared by a redox reaction between SWNTs and PdC...
• 2009, 25 (05): 825-828. DOI: 10.3866/PKU.WHXB20090514

• 5221Abstract/Metrics
• 2334 PDF(349KB)

• Effects of Si/Al Molar Ratio on the Crystallinity and Toluene Adsorption of SAPO-5 Synthesized under Microwave Radiation
• HAO Zhi-Xian, ZHAO Hai-Tao, WANG Li-Jun, XIE Li-Li, TIAN Zhen, LI Qing-Hua
• SAPO-5 molecular sieves were synthesized using high pressure microwave radiation and at pH=4.5-5.0. Effects of silica/al...
• 2009, 25 (05): 829-834. DOI: 10.3866/PKU.WHXB20090513

• 5961Abstract/Metrics
• 2272 PDF(729KB)

• Electrochemical Behavior of ITO Films during Anodic and Cathodic Polarization in Sodium Hydroxide Solutions
• WANG Hao, ZHONG Cheng, JIANG Cheng-Jie, GU Xiong, LI Jin, JIANG Yi-Ming
• The electrochemical corrosion behaviors of indiumtin oxide (ITO) films were investigated by electrochemical methods in s...
• 2009, 25 (05): 835-839. DOI: 10.3866/PKU.WHXB20090504

• 6508Abstract/Metrics
• 2716 PDF(907KB)

• Electro-Catalytic Performance of Composite Oxide Sn-Sb-Mn/Ceramic Particle Electrode System
• XU Hai-Qing, LIU Xiu-Ning, WANG Yu-Qiao, WANG Hua-Lin, SUN Yue-Ming
• Sn-Sb-Mn/ceramic particle electrodes were prepared by a thermal decomposition technique. The morphology, crystal phase c...
• 2009, 25 (05): 840-846. DOI: 10.3866/PKU.WHXB20090509

• 6037Abstract/Metrics
• 2058 PDF(613KB)

• Deuterium Isotope Effects on the Critical Behavior of 2,6-Dimethylpiperidine+Water System
• CHAI Shou-Ning, AN Xue-Qin, WANG Jin-Shou, LV He-Kun, SHEN Wei-Guo
• Critical compositions and critical temperatures of (2,6-dimethylpiperidine+water) and (2,6-dimethylpiperidine+heavy wate...
• 2009, 25 (05): 847-852. DOI: 10.3866/PKU.WHXB20090515

• 4035Abstract/Metrics
• 1606 PDF(209KB)

• Effect of Electrolytes and Ethanol on the Interaction between DNA and the Gemini Surfactant
• ZHAO Xiao-Fang, HE Yun-Fei, SHANG Ya-Zhuo, HAN Xia, LIU Hong-Lai
• The effect of electrolytes NaBr, NaCl, KCl and ethanol on the interaction between DNA and the Gemini surfactant has been...
• 2009, 25 (05): 853-858. DOI: 10.3866/PKU.WHXB20090512

• 6671Abstract/Metrics
• 1884 PDF(266KB)

• Application of Ultrasonic Vibrations in the Preparation of Ce-Zr-La/Al₂O₃ and Supported Pd Three-Way-Catalyst
• CAI Li, WANG Kang-Cai, ZHAO Ming, GONG Mao-Chu, CHEN Yao-Qiang
• CeO2-ZrO2-La2O3/Al2O3 (CZLA) was prepared by pretreatment with ultrasonic vibrations and Pd three-way-catalysts (TWCs) w...
• 2009, 25 (05): 859-863. DOI: 10.3866/PKU.WHXB20090506

• 4662Abstract/Metrics
• 1778 PDF(170KB)

• Preparation, Heat Treatment and Corrosion Behavior of Amorphous Ni-W/ZrO₂ Composite Coating
• YANG Fang-Zu, HUANG Ling, XU Shu-Kai, ZHOU Shao-Min
• A Ni-W/ZrO2 composite coating was prepared by electrodeposition from a Ni-W bath containing zirconia solid particles sus...
• 2009, 25 (05): 864-868. DOI: 10.3866/PKU.WHXB20090523

• 5055Abstract/Metrics
• 1907 PDF(710KB)

• Ground, Excited Structures and Photoelectronic Properties of Poly(p-phenylenevinylene) Oligomers with Biphenyl Bridge
• XU Hai, HE Feng, YANG Bing, ZHANG Hou-Yu, LIU Sui-Jun, GU Xin, LIU Dan-Dan, LIU Xiao-Dong, YU Jing-Sheng, MA Yu-Guang
• Ground and excited state structures of several poly(p-phenylenevinylene) (PPV) oligomers that contain a biphenyl bridge ...
• 2009, 25 (05): 869-875. DOI: 10.3866/PKU.WHXB20090517

• 5397Abstract/Metrics
• 2040 PDF(1316KB)

• Mechanism of Palladium-Catalyzed Methanol Decomposition for Hydrogen Production
• NI Zhe-Ming, MAO Jiang-Hong, PAN Guo-Xiang, XU Qian, LI Xiao-Nian
• The reaction pathway of methanol decomposition (CH3OH(s)→CH3O(s)+H(s)→CH2O(s)+2H(s)→CHO(s)+3H(s)→CO(...
• 2009, 25 (05): 876-882. DOI: 10.3866/PKU.WHXB20090507

• 7576Abstract/Metrics
• 2878 PDF(2552KB)

• Regularity and Mechanism of Pb Electrodeposition Intensified by Super Gravity Field
• WANG Ming-Yong, WANG Zhi, GUO Zhan-Cheng
• The effects of super gravity field (super gravity coefficient and working direction) on the electrodeposition process of...
• 2009, 25 (05): 883-889. DOI: 10.3866/PKU.WHXB20090511

• 5250Abstract/Metrics
• 2108 PDF(1750KB)

• Molecular Docking and 3D-QSAR on Maleimide Derivatives as Glycogen Synthase Kinase-3β Inhibitors
• WEI Zhuo, ZHANG Huai, CUI Wei, JI Ming-Juan
• Molecular docking and three-dimensional quantitative structure-activity relationship (3D-QSAR) approaches were used to c...
• 2009, 25 (05): 890-896. DOI: 10.3866/PKU.WHXB20090409

• 5827Abstract/Metrics
• 2125 PDF(942KB)

• Evaluation of the Influence of Humidity and Temperature on the Drug Stability by Plane Single Time Point Experiments
• MENG Ming-Cheng, LI Lin-Li, ZHAN Xian-Cheng, TAO Jian-Lin, HAN Xue
• The moisture and temperature plane of a drug was determined based on the dispersive principle of uniform design. Then, k...
• 2009, 25 (05): 897-904. DOI: 10.3866/PKU.WHXB20090501

• 4344Abstract/Metrics
• 1595 PDF(379KB)

• Electrochemical Behaviors of New Lithium Salt LiBC₂O₄F₂ in EC+DMC Solvents
• GAO Hong-Quan, LAI Yan-Qing, ZHANG Zhi-An, LIU Ye-Xiang
• The thermal stability of lithium difluoro(axalato)borate (LiODFB) was analyzed by thermal gravimetric-differential therm...
• 2009, 25 (05): 905-910. DOI: 10.3866/PKU.WHXB20090503

• 6272Abstract/Metrics
• 2238 PDF(175KB)

• Effects of DMA/AOT Molar Ratio on Critical Behavior of Nonaqueous Microemulsion
• CAI Hong-Lan, AN Xue-Qin, ZHU Yin-Yan, LV Hui-Hong, SHEN Wei-Guo
• Coexistence curves of (T-n) (T and n are temperature and refractive index, respectively) for {N,N-dimethylaccetamide(DMA...
• 2009, 25 (05): 911-914. DOI: 10.3866/PKU.WHXB20090510

• 4514Abstract/Metrics
• 1640 PDF(181KB)

• First-Principles Calculations on Electronic Structures of N/F-Doped and N-F-Codoped TiO₂ Anatase (101) Surfaces
• CHEN Qi-Li, TANG Chao-Qun
• Electronic structures of nitrogen(N)/fluorine (F)-doped and N-F-codoped TiO2 anatase (101) surfaces were investigated by...
• 2009, 25 (05): 915-920. DOI: 10.3866/PKU.WHXB20090521

• 8597Abstract/Metrics
• 3199 PDF(738KB)

• Corrosion Behavior of Steel A3 under the Combined Effect of Streptomyces and Nocardia sp
• LI Song-Mei, ZHANG Yuan-Yuan, BAI Ru-Bing, LIU Jian-Hua, YU Mei
• The weight lossmethod, electrochemical impedance spectroscopy (EIS) and surface analysis methods were employed to invest...
• 2009, 25 (05): 921-927. DOI: 10.3866/PKU.WHXB20090518

• 4965Abstract/Metrics
• 2007 PDF(2801KB)

• Calculation of the 9 Low-Energy Sructures of (H₂O)₁₁ Clusters Using the Accurate Ab Initio Method and the ABEEM/MM Model
• YANG Zhong-Zhi, LIU Yong-Jun
• Global minimum of (H2O)11 obtained fromfive empirical water models (SPC/E, TIP3P, TIP4P, POL3 and TIM2-F) and the ab ini...
• 2009, 25 (05): 928-934. DOI: 10.3866/PKU.WHXB20090522

• 5580Abstract/Metrics
• 1920 PDF(634KB)

• A Quasi-Classical Trajectory Study on the Effect of Reagent Vibrational Excitation on the Reaction of He+H⁺₂→HeH⁺+H
• KONG Hao, LIU Xin-Guo, XU Wen-Wu, ZHANG Qing-Gang
• We studied the dynamical stereochemistry of the He+H+2 (v=0-2, j=0)→HeH++Hreactions using the quasi-classical traje...
• 2009, 25 (05): 935-940. DOI: 10.3866/PKU.WHXB20090520

• 4317Abstract/Metrics
• 1586 PDF(256KB)

• Thermodynamic Hydrogen Isotopic Effect of Mg₂NiQ₆ (Q=H, D, T)
• LEI Qiang-Hua, CHEN Chang-An, XIONG Yi-Fu
• To study the thermodynamic hydrogen isotopic effect in Mg2NiQ4 (Q=H, D, T), a calculation based on first-principles and ...
• 2009, 25 (05): 941-946. DOI: 10.3866/PKU.WHXB20090530

• 5573Abstract/Metrics
• 2175 PDF(1432KB)

• Sensitization Mechanism of Tris(8-hydroxyquinoline)iron (III) on TiO₂ Anatase (101) Surface
• SU Rong, XUE Wei-Dong, FENG Yong, WANG Jian-Hua, YI Dan
• Density functional theory (DFT) in periodic DMol3 programwas employed to investigate the sensitization mechanismof tris(...
• 2009, 25 (05): 947-952. DOI: 10.3866/PKU.WHXB20090516

• 5795Abstract/Metrics
• 2502 PDF(2190KB)

• Predominance Diagram of Dissolved Species and Pourbaix Diagram of V-H₂O Systemat High Vanadium Concentration
• ZENG Ying, MA Min-Rui
• The predominance diagram of dissolved species and a Pourbaix diagram of the V-H2O system with a high vanadium concentrat...
• 2009, 25 (05): 953-957. DOI: 10.3866/PKU.WHXB20090519

• 7097Abstract/Metrics
• 2175 PDF(527KB)

• Properties of Yellow-Green Organic Light-Emitting Devices Based on (E)-2-(2-(9-ethyl-9H-carbazol-3-yl)vinyl) Quinolato-Zinc
• DING Gui-Ying, JIANG Wen-Long, CHANG Xi, HUA Jie, HAN Qiang, OUYANG Xin-Hua, ZENG He-Ping
• We investigated the performance of yellow-green organic light-emitting devices (OLEDs) based on a novel material (E)-2-(...
• 2009, 25 (05): 958-962. DOI: 10.3866/PKU.WHXB20090524

• 5807Abstract/Metrics
• 1978 PDF(425KB)

• Molecular Modeling for Selective Adsorption of Halite with Dodecylmorpholine
• WANG Li-Juan, LIU Gou-Sheng, SONG Xing-Fu, YU Jian-Guo
• Molecular modeling techniques were employed to investigate the selective adsorption mechanism of NaCl with collector dod...
• 2009, 25 (05): 963-969. DOI: 10.3866/PKU.WHXB20090424

• 6156Abstract/Metrics
• 2413 PDF(4118KB)

• Immobilization of Charged Colloidal Crystals in a Polymer Matrix
• WANG Jie, XU Sheng-Hua, SUN Zhi-Wei, ZHOU Hong-Wei
• We immobilized colloidal crystals of charged particles in a poly (acrylamide) matrix by photoinduced polymerization. A r...
• 2009, 25 (05): 970-976. DOI: 10.3866/PKU.WHXB20090531

• 4998Abstract/Metrics
• 2108 PDF(1820KB)

• Effective Synthesis of Magnetic Metal Nickel Nanotubes
• TAO Fei-Fei, XU Zheng
• Using porous anodic alumina (PAA) as the template, we fabricated a highly ordered array of magnetic metal nickel nanotub...
• 2009, 25 (05): 977-980. DOI: 10.3866/PKU.WHXB20090528

• 5057Abstract/Metrics
• 1941 PDF(866KB)

• Thermal Decomposition of Hexanitrohexaazaisowurtzitane and Its Residues
• DONG Lin-Mao, LI Xiao-Dong, YANG Rong-Jie
• Hexanitrohexaazaisowurtzitane (HNIW) particles were heated isothermally at (204.0±0.5), (208.0±0.5), (212....
• 2009, 25 (05): 981-986. DOI: 10.3866/PKU.WHXB20090525

• 5153Abstract/Metrics
• 1881 PDF(1298KB)

• Improved Cyclability of Nano-MnO₂/CNT Composite Supercapacitor Electrode Derived fromRoom-Temperature Solid Reaction
• HU Jie, YUAN An-Bao, WANG Yu-Qin, WANG Xiu-Ling
• To improve the charge/discharge cycle stability of a nanostructured manganese dioxide electrode for supercapacitor appli...
• 2009, 25 (05): 987-993. DOI: 10.3866/PKU.WHXB20090410

• 6427Abstract/Metrics
• 2393 PDF(1407KB)

• Molecular Dynamics Simulation of Gas Mixture Flow in Nanochannel
• XIE Hui, LIU Chao, LIU Bin-Wu
• Non-equilibrium molecular dynamic simulations have been carried out to study the Poiseuille flow of a mixture of gases i...
• 2009, 25 (05): 994-998. DOI: 10.3866/PKU.WHXB20090404

• 5645Abstract/Metrics
• 2400 PDF(1230KB)

• Effect of Specific Adsorption of Anions and Surface Structure of Pt(111) Electrode on Kinetics of Dissociative Adsorption of Ethylene Glycol
• FAN You-Jun, ZHEN Chun-Hua, CHEN Sheng-Pei, SUN Shi-Gang
• The effect of specific adsorption of anions and the surface structure of a Pt(111) electrode on the kinetics of dissocia...
• 2009, 25 (05): 999-1003. DOI: 10.3866/PKU.WHXB20090415

• 5322Abstract/Metrics
• 1798 PDF(230KB)

• Preparation of Li₂FeSiO₄ Cathode Material for Lithium-Ion Batteries by Microwave Synthesis
• HU Guo-Rong, CAO Yan-Bing, PENG Zhong-Dong, DU Ke, JIANG Qing-Lai
• We report a novel synthetic route for the preparation of the Li2FeSiO4 cathode material by microwave processing. The Li2...
• 2009, 25 (05): 1004-1008. DOI: 10.3866/PKU.WHXB20090418

• 6847Abstract/Metrics
• 2638 PDF(709KB)

• Preparation and Electrical Transport Properties of Ca_2.9M_0.1Co₄O₉ (M=Ag, La, Ba) Oxide Composite System
• ZHANG Fei-Feng, ZHANG Jiu-Xing, LU Qing-Mei, ZHANG Xin, LIU Yan-Qin
• Bulk samples of a p-type Ca2.9M0.1Co4O9(M=Ag, La, Ba) oxide composite were fabricated by a nitric acid sol-gel and a spa...
• 2009, 25 (05): 1009-1012. DOI: 10.3866/PKU.WHXB20090416

• 5594Abstract/Metrics
• 1921 PDF(974KB)

• Photocatalytic Properties of Mesoporous TiO₂ Prepared by Hydrothermal Method
• SHEN Jing-Jing, LIU Chang, ZHU Yu-Dan, LI Wei, FENG Xin, LU Xiao-Hua
• Mesoporous TiO2 was synthesized by hydrothermal treatment of titanic acid hydrate (H2Ti2O5·xH2O) from potassium t...
• 2009, 25 (05): 1013-1018. DOI: 10.3866/PKU.WHXB20090421

• 5865Abstract/Metrics
• 2521 PDF(856KB)

• Reduction of Large Kinetic Mechanisms of Hydrocarbon Fuels with Directed Relation Graph
• JIANG Yong, QIU Rong
• The directed relation graph (DRG) method was used to reduce a detailed reaction mechanismto a skeletal mechanism for met...
• 2009, 25 (05): 1019-1025. DOI: 10.3866/PKU.WHXB20090426

• 5135Abstract/Metrics
• Supporting Info
• 1990 PDF(268KB)

Invited Review

• Synthesis of Gold Nanostructures with Controlled Morphologies from AuCl(Oleylamine) Complex
• MA Yan-Yun, ZENG Jie, XIA You-Nan
• This review article briefly discusses the use of AuCl(oleylamine) complex as a precursor in the facile synthesis of gold...
• 2009, 25 (05): 1026-1032. DOI: 10.3866/PKU.WHXB20090508

• 7834Abstract/Metrics
• 3808 PDF(2622KB)