Table of Contents

• Table of Contents for Vol.26 No. 02
• 2010, 26 (02): 0.

• 1414Abstract/Metrics
• 1594 PDF(4075KB)

THERMODYNAMICS,THERMOCHEMISTRY AND SOLUTION CHEMISTRY

• Effects of Concentration and Freeze-Thaw Treatment on the Local Structure of Cu²⁺ in CuCl₂ Aqueous Solutions
• WANG Wen-Hua, ZHAO Lin, YAN Bo, TAN Xin, HE Bo, PAN Zhi-Yun
• The microscopic local environmental structure of Cu2+ ions in copper chloride solutions was investigated by X-ray absorp...
• 2010, 26 (02): 265-269. DOI: 10.3866/PKU.WHXB20100206

• 3478Abstract/Metrics
• 1895 PDF(432KB)

CHEMICAL KINETICS AND MOLECULE DYNAMICS

• Influence of H₂O and CO₂ in Air on the Combustion of Ethylene (II)——Reaction Mechanismand Kinetics Simulation
• SHAO Ju-Xiang, TAN Ning-Xin, LIU Wei-Xiong, LI Xiang-Yuan
• Clean air at high temperature and velocity is used as the oxidant during fuel combustion in a hypersonic scramjet. In gr...
• 2010, 26 (02): 270-276. DOI: 10.3866/PKU.WHXB20100140

• 3295Abstract/Metrics
• 2309 PDF(297KB)

ELECTROCHEMISTRY

• Electrochemical Reduction Reaction Mechanism of Cinnamonitrile
• WANG Huan, ZHAO Shu-Feng, LAN Yang-Chun, LIU Xiao, LU Jia-Xing
• The electroreduction of cinnamonitrile in MeCN solution was studied using cyclic voltammetry, with two reduction peaks a...
• 2010, 26 (02): 277-282. DOI: 10.3866/PKU.WHXB20100223

• 3612Abstract/Metrics
• 1762 PDF(312KB)

• Composite Cathode Structure and Binder for High Performance Lithium-Sulfur Battery
• WU Ying-Lei, YANG Jun, WANG Jiu-Lin, YIN Li-Chao, NULI Yan-Na
• Ball milling in combination with heat treatment was used to prepare sulfur-based composite cathode materials incorporati...
• 2010, 26 (02): 283-290. DOI: 10.3866/PKU.WHXB20100205

• 4198Abstract/Metrics
• 2416 PDF(985KB)

• Copolymerization and Capacitive Performance of Composite Carbon Nanotubes/Polyaniline/Nickel Hexacyanoferrate Films
• ZANG Yang, HAO Xiao-Gang, WANG Zhong-De, ZHANG Zhong-Lin, LIU Shi-Bin
• Electroactive composite films of carbon nanotubes/polyaniline/nickel hexacyanoferrate (CNTs/PANI/NiHCF) were synthesized...
• 2010, 26 (02): 291-298. DOI: 10.3866/PKU.WHXB20100227

• 4506Abstract/Metrics
• 2273 PDF(622KB)

• Photoelectrochromic Properties of TiO_2-xN_x/NiO Bilayer Thin Films
• JIANG Lei, HUANG Hui, WANG Chun-Tao, ZHANG Wen-Kui, GAN Yong-Ping, TAO Xin-Yong
• N-doped TiO2 films were prepared on indium tin oxide(ITO) conducting glass by dc-reactive magnetron sputtering using a T...
• 2010, 26 (02): 299-303. DOI: 10.3866/PKU.WHXB20100226

• 4199Abstract/Metrics
• 2497 PDF(1167KB)

STRUCTURE CHEMISTRY

• Hydration of β-Lactoglobulin in Magnetized Water: Effect of Magnetic Treatment on the Cluster Structure of Water and Hydration Properties of Proteins
• HE Jin-Song, YANG Hong-Wei, CAI Ran, LO Chih-Kang, ZHU Wan-Peng
• To investigate the hydration of proteins in magnetized water, pure water was treated with a static magnetic field (MF) o...
• 2010, 26 (02): 304-310. DOI: 10.3866/PKU.WHXB20100141

• 3815Abstract/Metrics
• 1799 PDF(240KB)

COLLOID AND INTERFACE CHEMISTRY

• Study on Lecithin/Amino Acid/H₂O Micelle and Liposome Systems by Capacitance Method
• LIU Tian-Qing, TANG Yao, YU Ke-Wei
• The structures and properties of lecithin/amino acid/H2O micelle and liposome systems were studied using electrical capa...
• 2010, 26 (02): 311-316. DOI: 10.3866/PKU.WHXB20100145

• 3084Abstract/Metrics
• 1826 PDF(1990KB)

• Molecular Organized Assemblies Formed by Tetradecyl Aryl Sulfonate
• YU Tao, LI Zhong, DING Wei, LUO Shi-Qiong, LUAN Huo-Xin, TONG Wei, QU Guang-Miao, CHENG Jie-Cheng
• We investigated the micelles, reverse micelles, and microemulsions formed by three kinds of tetradecyl aryl sulfonates s...
• 2010, 26 (02): 317-323. DOI: 10.3866/PKU.WHXB20100224

• 3056Abstract/Metrics
• 1678 PDF(1225KB)

• Aggregation Behavior of Amphiphilic Statistical Polymers and Their Interactions with Nonionic Surfactants
• WU Xu, QIAO Ying-Jie, HU Chang-Chao, YANG Hui, WANG Jin-Ben
• A series of amphiphilic polymers were synthesized by the statistical polymerization of 2-(acrylamido)-dodecanesulfonic a...
• 2010, 26 (02): 324-330. DOI: 10.3866/PKU.WHXB20100204

• 3612Abstract/Metrics
• 1969 PDF(512KB)

CATALYSIS AND SURFACE STRUCTURE

• Structure and Catalytic Property of Ce_1-xFe_xO₂ Mixed Oxide Catalysts for Low Temperature Soot Combustion
• YAN Dong-Xia, WANG Hua, LI Kong-Zhai, WEI Yong-Gang, ZHU Xing, CHENG Xian-Ming
• A series of Ce1-xFexO2 mixed oxides with different Ce/Fe molar ratios were prepared via hydrothermal method. The effect ...
• 2010, 26 (02): 331-337. DOI: 10.3866/PKU.WHXB20100201

• 3384Abstract/Metrics
• 2087 PDF(1344KB)

• Effect of Hydrothermal Treatment on the Acidity and Catalytic Performance of Nanosized HZSM-5 Zeolites for the Conversion of Methanol to Propene
• MAO Dong-Sen, GUO Qiang-Sheng, MENG Tao, LU Guan-Zhong
• A series of modified nanosized HZSM-5 zeolites were prepared by hydrothermal treatment at different temperatures and cha...
• 2010, 26 (02): 338-344. DOI: 10.3866/PKU.WHXB20100208

• 4679Abstract/Metrics
• 1849 PDF(283KB)

• Preparation of Copper-Cobalt-Silicon Catalysts for Higher Alcohol Synthesis by Glow Discharge Plasma
• XU Hui-Yuan, CHU Wei, DENG Si-Yu
• Novel Cu-Co/SiO2 catalysts were prepared by conventional impregnation methods with the assistance of glow discharge plas...
• 2010, 26 (02): 345-349. DOI: 10.3866/PKU.WHXB20100228

• 2878Abstract/Metrics
• 1731 PDF(146KB)

• Hydrogen Production fromCoke Oven Gas byMethane Reforming: Thermodynamic Analysis and Experimental Study
• YANG Zhi-Bin, ZHANG Yu-Wen, ZHANG Yun-Yan, DING Wei-Zhong, SHEN Pei-Jun, LIU Yong, ZHOU Yu-Ding, HUANG Shao-Qing
• A thermodynamic analysis of the partial oxidation of methane (POM) in coke oven gas (COG) was carried out. The optimized...
• 2010, 26 (02): 350-358. DOI: 10.3866/PKU.WHXB20100212

• 3971Abstract/Metrics
• 2021 PDF(3341KB)

• Adsorption Behavior and Mechanism of Grafted PMAA-HEMA/NVP Microspheres toward Lysozyme
• FU Hong-Yan, GAO Bao-Jiao, NIU Qing-Yuan
• The crosslinking copolymerization of 2-hydroxyethyl methacrylate (HEMA) and N-vinylpyrrolidone (NVP) was performed using...
• 2010, 26 (02): 359-366. DOI: 10.3866/PKU.WHXB20100207

• 3644Abstract/Metrics
• 2056 PDF(1288KB)

• Adsorption of Naphthalene on a Viscose-Based Activated Carbon Fiber
• ZHANG Tian-Yong, YANG Qiu-Sheng, SHI Hui-Xian, HAN Cong, LIU Xu
• We studied the isothermal adsorption of naphthalene on a viscose-based activated carbon fiber (VACF) in aqueous solution...
• 2010, 26 (02): 367-372. DOI: 10.3866/PKU.WHXB20100221

• 3934Abstract/Metrics
• 1916 PDF(274KB)

• Incorporation of CuO into Mesoporous Carbon CMK-3 and Its Adsorption and Catalytic Oxidation of Phenol
• HU Long-Xing, DANG Song-Tao, YANG Xia-Ping
• Copper (II) oxide nanoparticles were incorporated into the pore systemof mesoporous carbon CMK-3 by a facile method, for...
• 2010, 26 (02): 373-377. DOI: 10.3866/PKU.WHXB20100222

• 4215Abstract/Metrics
• 1895 PDF(399KB)

• Synthesis and Desulfurization Performance of Nanocrystal-Assembled Zeolite L with a Hierarchical Pore Structure
• HUO Quan, DOU Tao, GONG Yan-Jun, ZHAO Zhen, DENG Feng, YU Zhi-Wu, PAN Hui-Fang
• Zeolite MeLTL with a micro-mesoporous composite pore structure was synthesized by using nanocrystal clusters of zeolite ...
• 2010, 26 (02): 378-384. DOI: 10.3866/PKU.WHXB20100232

• 3208Abstract/Metrics
• 2771 PDF(955KB)

• MCl_x(M=Pd, Fe, Cr) Assisted Synthesis of Ordered Mesoporous Carbon and Their Electrocatalytic Performance after Loading with Pt Nanoparticles
• SUN Dun, HE Jian-Ping, ZHOU Jian-Hua, WANG Tao, DI Zhi-Yong, WANG Dao-Jun, DING Xiao-Chun
• The Pt-loading properties of ordered mesoporous carbon (OMC) synthesized with assistance of MClx (M=Pd, Fe, Cr; x=2, 3, ...
• 2010, 26 (02): 385-391. DOI: 10.3866/PKU.WHXB20100121

• 3135Abstract/Metrics
• 1703 PDF(1646KB)

PHOTOCHEMISTRY AND SPECTROSCOPY

• Highly EfficientWhite Organic Light Emitting Diodes with a p-Type Structure
• WANG Chun-Lei, FEI Teng, LI Feng, MA Yu-Guang
• Highly efficient red organic light emitting diodes with a p-type structure were fabricated. The luminance, current densi...
• 2010, 26 (02): 392-396. DOI: 10.3866/PKU.WHXB20100214

• 2867Abstract/Metrics
• 1485 PDF(448KB)

• Surface-Enhanced Raman Spectroscopic Study on the Co-adsorption of DNA Bases with Perchlorate
• CUI Li, REN Bin, TIAN Zhong-Qun
• Co-adsorption with molecules that strongly adsorb on metallic surfaces is beneficial in improving the surface-enhanced R...
• 2010, 26 (02): 397-402. DOI: 10.3866/PKU.WHXB20100136

• 4106Abstract/Metrics
• 1842 PDF(404KB)

• Transient Photovoltaic and Surface Photoacoustic Characteristics of Mesoporous Crystalline La-doped TiO₂ Nanoparticles
• LI Kui-Ying, LIU Tong, ZHOU Bing-Jing, WEI Sai-Ling, YANG Wei-Yong
• Transient photovoltaic and surface photoacoustic techniques were used to investigate the separation and recombination pr...
• 2010, 26 (02): 403-408. DOI: 10.3866/PKU.WHXB20100213

• 3138Abstract/Metrics
• 1721 PDF(812KB)

QUANTUM CHEMISTRY AND COMPUTATION CHEMISTRY

• Effects of NO₂, OH and OH^- on the Initial Pyrolysis of β-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine
• JIANG Fu-Ling, ZHAI Gao-Hong, DING Li, YUE Ke-Fen, LIU Ni, SHI Qi-Zhen, WEN Zhen-Yi
• The structures of β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (β-HMX) and its complexes with the pyroly...
• 2010, 26 (02): 409-414. DOI: 10.3866/PKU.WHXB20100128

• 3559Abstract/Metrics
• 1661 PDF(1276KB)

• Formation Mechanism of [AlCl]_n during Production of Aluminum by AlCl Disproportionation
• CHEN Xiu-Min, YANG Bin, TAO Dong-Ping, DAI Yong-Nian
• Density functional theory with the generalized gradient approximation was used to determine the geometries, energies, tr...
• 2010, 26 (02): 415-421. DOI: 10.3866/PKU.WHXB20100217

• 3965Abstract/Metrics
• 2081 PDF(2058KB)

• Molecular Dynamics Simulation of Anionic Surfactant at the Water/n-Alkane Interface
• XIAO Hong-Yan, ZHEN Zhen, SUN Huan-Quan, CAO Xu-Long, LI Zhen-Quan, SONG Xin-Wang, CUI Xiao-Hong, LIU Xin-Hou
• The structural and dynamic properties of anionic surfactant at the water/n-alkane (nonane, decane, and undecane) interfa...
• 2010, 26 (02): 422-428. DOI: 10.3866/PKU.WHXB20100216

• 4280Abstract/Metrics
• 2448 PDF(2454KB)

• Structures and Characteristics of the Abnormally Blue-Shifted Single-Electron LithiumBond Complexes Y…Li—CH₃[Y=CH₃, CH₂CH₃, CH(CH₃)₂, C(CH₃)₃] System
• LI Zhi-Feng, ZHU Yuan-Cheng, ZUO Guo-Fang, TANG Hui-An, LI Hong-Yu
• Single-electron lithium bond complexes CH3…Li—CH3(I), H3CH2C…Li—CH3(II), (H3C)2HC…Li&md...
• 2010, 26 (02): 429-435. DOI: 10.3866/PKU.WHXB20100110

• 3329Abstract/Metrics
• 1620 PDF(1591KB)

• Ab initio Investigation of the Structures and Electronic Properties  of PdO^0,±1, PdH^0,±1 and PdOH Molecules
• SUN Xi-Yuan, DU Ji-Guang, JIANG Gang
• Several ab initio methods were employed to investigate the structures and electronic properties of PdO0,±1, PdH0,...
• 2010, 26 (02): 436-440. DOI: 10.3866/PKU.WHXB20100129

• 3266Abstract/Metrics
• 1825 PDF(415KB)

• Spin-Forbidden Reaction Mechanism of CO₂ Cleavage Activated by W⁺ in Gas Phase
• LIU Ling-Ling, WANG Yong-Cheng
• We investigated the spin-forbidden reaction mechanism of CO2 cleavage, activated by W+ in gas phase, using density funct...
• 2010, 26 (02): 441-446. DOI: 10.3866/PKU.WHXB20100218

• 3642Abstract/Metrics
• 2073 PDF(1704KB)

• Effect of Alkyl Substitution on the Electronic Structure and Spectrum of Rhodamine
• LEI Yong-Lin, HUO Ji-Chuan
• The structures of eight kinds of rhodamine compounds, substituted by different alkyls at different positions, were optim...
• 2010, 26 (02): 447-452. DOI: 10.3866/PKU.WHXB20100144

• 3481Abstract/Metrics
• 1522 PDF(615KB)

• Geometric Structures and Electronic Properties of Small Gold-Palladium Binary Clusters
• TANG Dian-Yong, HUANG Xue-Na, ZOU Ting, JIN Cheng, HU Jian-Ping, FU Qin-Chao
• The geometric and electronic properties of AumPdn (m+n≤6) binary clusters were investigated at the UBP86/LANL2DZ and ...
• 2010, 26 (02): 453-460. DOI: 10.3866/PKU.WHXB20100229

• 3397Abstract/Metrics
• 2267 PDF(2834KB)

• Structure Stability and Electronic Properties of C₅₆X₁₀(X=F, Cl, Br, I)
• CAO Qing-Song, DENG Kai-Ming
• The generalized gradient approximation (GGA) method based on density functional theory (DFT) was used to analyze the str...
• 2010, 26 (02): 461-465. DOI: 10.3866/PKU.WHXB20100202

• 3868Abstract/Metrics
• 1885 PDF(1256KB)

• Structures and Antioxidant Activities of Lespedezaflavonone from Lespedeza Virgata
• LI Min-Jie, LI Ya-Jun, PENG Chun-Rong, LU Wen-Cong
• The molecular structures and antioxidant activities of a novel flavonoid-type compound (lespedezaflavonone) from Lespede...
• 2010, 26 (02): 466-470. DOI: 10.3866/PKU.WHXB20100230

• 3337Abstract/Metrics
• 1638 PDF(1193KB)

BIOPHYSICAL CHEMISTRY

• Activity Prediction of Hormone-Sensitive Lipase Inhibitors Based on Machine Learning Methods
• LV Wei, XUE Ying
• Hormone-sensitive lipase (HSL) is known as the key rate-limiting enzyme responsible for regulating free fatty acids (FFA...
• 2010, 26 (02): 471-477. DOI: 10.3866/PKU.WHXB20100125

• 2801Abstract/Metrics
• Supporting Info
• 1874 PDF(373KB)

• Mobility of Na⁺ in a G-Quadruplex
• GUO Ci, LIU Cui, YANG Zhong-Zhi
• The Na+-G-quadruplex complex is a polarized system and the mobility of Na+ during its formation or decomposition is stil...
• 2010, 26 (02): 478-486. DOI: 10.3866/PKU.WHXB20100219

• 2677Abstract/Metrics
• 1440 PDF(1677KB)

• Control of Vibrational Biresonance in a CalciumIon System
• SHI Jian-Cheng, DONG Tao
• The vibrational bioresonance (VBR) and its control in a calciumion oscillation systemunder the influence of low-frequenc...
• 2010, 26 (02): 487-494. DOI: 10.3866/PKU.WHXB20100220

• 2368Abstract/Metrics
• 1591 PDF(1603KB)

• Biological Activity of a Cholesterol Modified Fullerene/γ-Cyclodextrin Inclusion Complex
• GAO Yun-Yan, LIU Li-Hua, OU Zhi-Ze, LI Yi, YANG Guo-Qiang, WANG Xue-Song
• A cholesterol modified fullerene (CHL-C60) was synthesized using the Bingel-Hirsch reaction and was characterized by nuc...
• 2010, 26 (02): 495-501. DOI: 10.3866/PKU.WHXB20100238

• 3006Abstract/Metrics
• 1825 PDF(632KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Patterning of TiO₂ Thin Films Prepared from Aqueous Solutions
• LIANG Shan, XUE Qun-Ji, CUI Yu-Hong, ZHAO Zhan-Fen
• TiO2 thin films were patterned froman aqueous solution containing Ti(SO4)2 by chemical bath deposition and electrochemic...
• 2010, 26 (02): 502-506. DOI: 10.3866/PKU.WHXB20100139

• 3561Abstract/Metrics
• 2419 PDF(2329KB)

• Optical Properties of Single-Crystal GaN Nanowires Synthesized by Pd Catalysis
• GUO Yong-Fu, XUE Cheng-Shan, SHI Feng, ZHUANG Hui-Zhao, LIU Wen-Jun, SUN Hai-Bo, CAO Yu-Ping
• Based on the catalytic property of palladium, GaN nanowires were fabricated by ammoniating Pd:Ga2O3 thin films at 950 ℃,...
• 2010, 26 (02): 507-510. DOI: 10.3866/PKU.WHXB20100203

• 3732Abstract/Metrics
• 1443 PDF(1198KB)

• Synthesis, Characterization and Formation Mechanism of CdS Nanorods
• CHEN Shu-Tang, ZHANG Xiao-Ling, HOU Xiao-Miao, ZHOU Qi
• CdS nanorods were successfully synthesized by pyrolysis using trioctylphosphine (TOP) as a coordinating solvent. For thi...
• 2010, 26 (02): 511-514. DOI: 10.3866/PKU.WHXB20100210

• 4474Abstract/Metrics
• Supporting Info
• 2479 PDF(1449KB)

• Direct Syntheses and Characterizations of PW11/SBA-15 Mesoporous Hybrid Materials
• WANG Jin-E, YANG Chun
• The hybrid mesoporous materials, PW11/SBA-15, were synthesized using tetraethoxysilane (TEOS) and lacunary polyoxometala...
• 2010, 26 (02): 515-520. DOI: 10.3866/PKU.WHXB20100211

• 3024Abstract/Metrics
• 1764 PDF(1251KB)

• Structural and Morphological Transformation of MnO₂ Nanostructures from Mn₃O₄ Precursor
• WANG Fan, WANG Yan-Min, WEN Yan-Xuan, SU Hai-Feng, LI Bin
• Manganese oxides show huge structural flexibility and appear in various crystallographic polymorphs. Hence, morphologica...
• 2010, 26 (02): 521-526. DOI: 10.3866/PKU.WHXB20100209

• 3356Abstract/Metrics
• 2249 PDF(1807KB)

• Ordered Mesoporous MgZnO with Crystalline Walls
• GENG Wang-Chang, LAI Xiao-Yong, LI Xiao-Tian
• Ordered mesoporous MgZnO was synthesized using mesoporous carbon CMK-3 as hard template and Mg(NO3)2·6H2Oaswell a...
• 2010, 26 (02): 527-530. DOI: 10.3866/PKU.WHXB20100239

• 3709Abstract/Metrics
• 1822 PDF(1185KB)