Table of Contents

• Cover and Table of Contents for Vol.28 No. 4
• 2012, 28 (04): 0.

• 1618Abstract/Metrics
• 1579 PDF(8619KB)

REVIEW

• Application of Iridium(III) Complexes in Phosphorescent Chemosensors
• GUO Yuan-Hui, MEI Qun-Bo, YAN Fang, WANG Ling-Xia, WENG Jie-Na, ZHANG Bin, HUANG Wei
• Chemosensors have developed quickly because they are widely used in biology. Compared to organic fluorescent chemosensor...
• 2012, 28 (04): 739-750. DOI: 10.3866/PKU.WHXB201112222

• 5846Abstract/Metrics
• 2580 PDF(738KB)

• Progress in the Scoring Functions of Protein-Protein Docking
• WANG Cun-Xin, CHANG Shan, GONG Xin-Qi, YANG Feng, LI Chun-Hua, CHEN Wei-Zu
• Molecular docking technology is an effective approach for prediction of intermolecular interactions and recognition. The...
• 2012, 28 (04): 751-758. DOI: 10.3866/PKU.WHXB201202022

• 5336Abstract/Metrics
• 3580 PDF(563KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Mid-Infrared Pump-Probe Spectroscopy of Dimeric π-Cyclopentadienyl-dicarbonyliron [CpFe(CO)₂]₂
• YANG Fan, LIU Ying-Liang, WANG Jian-Ping
• The structural and vibrational dynamics of the non-bridged C≡O stretching vibrations of two different tautomers of...
• 2012, 28 (04): 759-765. DOI: 10.3866/PKU.WHXB201202023

• 4319Abstract/Metrics
• 1614 PDF(1663KB)

• Confocal Raman Spectroscopy Studies on the Interactions between NH₄⁺, NO₃^- and H₂O in Supersaturated NH4NO3 Droplets
• GUO Xin, TAN See-Hua, SHANG Zhi-Jun, GUO Yu-Cong, ZHANG Yun-Hong
• High signal to noise (S/N) ratio Raman spectra of NH4NO3 droplets deposited on a quartz substrate were obtained from dil...
• 2012, 28 (04): 766-772. DOI: 10.3866/PKU.WHXB201202021

• 4153Abstract/Metrics
• 1581 PDF(518KB)

• Heat Capacity and DC-Magnetic Susceptibility Evidence for the Asymmetry of Electron Spin-Flip Phase Transition of N⁺H…O^- Bond in Chiral Alanine Crystal
• WANG Wen-Qing, SHEN Xin-Chun, WU Ji-Lan, GONG Yan, SHEN Guo-Hua, ZHAO Hong-Kai
• With a view to understanding the argument of phase-transition mechanisms of D- and L-alanine at around 270 K, the temper...
• 2012, 28 (04): 773-780. DOI: 10.3866/PKU.WHXB201202132

• 4049Abstract/Metrics
• 1462 PDF(3331KB)

• Thermal Behavior and Non-Isothermal Decomposition Reaction Kinetics of Aluminum Nanopowders Coated with an Oleic Acid/Hexogen Composite System
• YAO Er-Gang, ZHAO Feng-Qi, GAO Hong-Xu, XU Si-Yu, HU Rong-Zu, HAO Hai-Xia, AN Ting, PEI Qing, XIAO Li-Bai
• Aluminum nanopowders (nmAl) coated with oleic acid (OA) were obtained under nitrogen atmosphere, and their surface morph...
• 2012, 28 (04): 781-786. DOI: 10.3866/PKU.WHXB201202151

• 4969Abstract/Metrics
• 1657 PDF(1867KB)

• Experimental Study of Autoignition Characteristics of Kerosene
• TANG Hong-Chang, ZHANG Chang-Hua, LI Ping, WANG Li-Dong, YE Bin, LI Xiang-Yuan
• The ignition delay times of gas-phase kerosene/air mixtures were measured behind reflected shock waves, using side-wall ...
• 2012, 28 (04): 787-791. DOI: 10.3866/PKU.WHXB201202161

• 4763Abstract/Metrics
• 1373 PDF(640KB)

THEORETICAL AND COMPUTATIONAL CHEMISTRY

• Electronic Structures of Uranyl(VI) Carbonate Complexes in the Aqueous Phase
• GU Jia-Fang, LU Chun-Hai, CHEN Wen-Kai, CHEN Yong, XU Ke, HUANG Xin, ZHANG Yong-Fan
• A systematic study of series of non-hydrated and hydrated Cn/m uranyl carbonate complexes (n is number of carbonate liga...
• 2012, 28 (04): 792-798. DOI: 10.3866/PKU.WHXB201201171

• 4608Abstract/Metrics
• 2093 PDF(1936KB)

• Factor Group Analysis of Molecular Vibrational Modes of Graphene and Density Functional Calculations
• LIU Bo, SUN Hong-Juan, PENG Tong-Jiang
• The molecular vibrational modes of graphene were analyzed theoretically by factor group analysis. The molecular vibratio...
• 2012, 28 (04): 799-804. DOI: 10.3866/PKU.WHXB201202012

• 6321Abstract/Metrics
• 2572 PDF(555KB)

• Structure Characteristics and Stability of Al_nO₂^± Clusters
• MAWen-Jin, LIU Jiang, SONG Xiang, ZHANG Xian-Ming, WU Hai-Shun
• The geometric configurations and electronic structures of AlnO2± (n=1-10) clusters were studied using the B3LYP d...
• 2012, 28 (04): 805-810. DOI: 10.3866/PKU.WHXB201202072

• 4897Abstract/Metrics
• 1452 PDF(1061KB)

• Electronic Structures of Group IB Metal-Ethylene Complexes [N{(Me)C(Ph)N}₂]M-C₂H₄ (M=Cu, Ag, Au)
• QIU Yi-Xiang, WANG Shu-Guang
• The geometries, electronic structures, and bonding energies of coinage metal-ethylene complexes LM-C2H4 (L=[N{(Me)C(Ph)N...
• 2012, 28 (04): 811-817. DOI: 10.3866/PKU.WHXB201202082

• 4812Abstract/Metrics
• 1245 PDF(749KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Reaction Mechanism of 1,4-Dimethoxy Benzene as an Overcharge Protection Additive
• LI Tian-Tian, WANG Chao-Yang, XING Li-Dan, LI Wei-Shan, PENG Bin, XU Meng-Qing, GU Feng-Long, HU She-Jun
• The reaction mechanism of 1,4-dimethoxybenzene (p-DMOB) as an overcharge protection additive for lithium ion batteries w...
• 2012, 28 (04): 818-822. DOI: 10.3866/PKU.WHXB201201132

• 7096Abstract/Metrics
• 2118 PDF(885KB)

• Preparation and Characterization of xLi₂MnO₃·(1-x)Li[Ni_1/3Mn_1/3Co_1/3]O₂ Cathode Materials for Lithium-Ion Batteries
• WANG Zhao, WU Feng, SU Yue-Feng, BAO Li-Ying, CHEN Lai, LI Ning, CHEN Shi
• The lithium rich cathode materials xLi2MnO3·(1-x)Li[Ni1/3Mn1/3Co1/3]O2 (x=0.4, 0.5, 0.6) were successfully synthe...
• 2012, 28 (04): 823-830. DOI: 10.3866/PKU.WHXB201202102

• 5821Abstract/Metrics
• 2442 PDF(1123KB)

• Preparation and Characterization of a Novel Bi-Doped PbO₂ Electrode
• YANG Wei-Hua, YANG Wu-Tao, LIN Xiao-Yan
• A novel high-performance PbO2 electrode modified with Bi3+ (Bi-PbO2) was prepared by electrodeposition. The microstructu...
• 2012, 28 (04): 831-836. DOI: 10.3866/PKU.WHXB201202101

• 4225Abstract/Metrics
• 1559 PDF(812KB)

• Preparation of Ordered Mesoporous Carbon/NiCo₂O₄ Electrode and Its Electrochemical Capacitive Behavior
• CHE Qian, ZHANG Fang, ZHANG Xiao-Gang, LU Xiang-Jun, DING Bing, ZHU Jia-Jia
• OMC/NiCo2O4 composite was prepared by co-precipitation with ordered mesoporous carbon (OMC) as a support. The crystallin...
• 2012, 28 (04): 837-842. DOI: 10.3866/PKU.WHXB201202074

• 4277Abstract/Metrics
• 3436 PDF(788KB)

• Pore Structures of Carbon Aerogels and Their Effects on Electrochemical Supercapacitor Performance
• LIU Dong, SHEN Jun, LI Ya-Jie, LIU Nian-Ping, LIU Bin
• Control of the pore structures of carbon aerogels (CAs) was investigated by changing the sol-gel polymerization and acti...
• 2012, 28 (04): 843-849. DOI: 10.3866/PKU.WHXB201202172

• 5919Abstract/Metrics
• 2454 PDF(1393KB)

• Infection of Oxygen Vacancy at the TiO₂ Surface for Film Electrode Rup₂P/TiO₂/ITO Photo-Induced Charge Transfer
• CHENG Hui, DONG Jiang-Zhou, CHAO Hui, YAO Jiang-Hong, CAO Ya-An
• The surface properties of TiO2-X (X=5, 10, 20, X=[NaOH] (in mol·L-1)) samples prepared by modification of hydroly...
• 2012, 28 (04): 850-856. DOI: 10.3866/PKU.WHXB2012020111

• 4445Abstract/Metrics
• 1742 PDF(759KB)

• Influence of Preparation Conditions on the Properties of Cu₂S Photocathodes
• SHI Ji-Fu, FAN Ye, XU Xue-Qing, XU Gang, CHEN Li-Hua
• Cu2S nanomaterials were prepared, and the influence of preparation conditions on the morphology and catalytic reduction ...
• 2012, 28 (04): 857-864. DOI: 10.3866/PKU.WHXB201202204

• 4760Abstract/Metrics
• 2653 PDF(5959KB)

• Effects of Calcination Temperature on Morphologies and Photoelectrochemical Properties of Anodized WO₃ Nanoporous Films
• HUANG Ye, LIU Yu-Yang, LI Wen-Zhang, CHEN Qi-Yuan
• Visible-light-responsive WO3 porous films were synthesized via step-voltage anodization in NH4F/(NH4)2SO4 solution and c...
• 2012, 28 (04): 865-870. DOI: 10.3866/PKU.WHXB201202152

• 4090Abstract/Metrics
• 1471 PDF(1039KB)

• Highly Active Pd-Co₃O₄/MWCNTs Catalysts for Methanol Electrocatalytic Oxidation
• NIE Su-Lian, ZHAO Yan-Chun, FAN Jie-Wen, TIAN Jian-Niao, NING Zhen, LI Xiao-Xiao
• Nano-flocculent-Co3O4 modified multi-walled carbon nanotubes supported Pd nanoparticles (Pd-Co3O4/MWCNTs) with uniform d...
• 2012, 28 (04): 871-876. DOI: 10.3866/PKU.WHXB201202013

• 4912Abstract/Metrics
• 1982 PDF(2137KB)

• Numerical Simulation Based Accurate Models of Improved Chronoamperometry and Its Experimental Validation
• CHEN Xu-Hai, LIU Shao-Li, CHEN Jing-Hua, DU Min, LIN Xin-Hua
• Based on the empirical formula for concentration change of a detected molecule on the surface of a electrode, an approxi...
• 2012, 28 (04): 877-884. DOI: 10.3866/PKU.WHXB201202141

• 3607Abstract/Metrics
• 1758 PDF(883KB)

SOFT MATTER

• Effect of Inorganic Salts and Ureas on the Micellization Behavior of Antidepressant Drug Imipramine Hydrochloride at Various Concentrations and Temperatures
• KABIR-UD-DIN, RUB Malik Abdul, NAQVI Andleeb Z.
• In the present study we report the micellization behavior of imipramine hydrochloride (IMP) in absence and presence of d...
• 2012, 28 (04): 885-891. DOI: 10.3866/PKU.WHXB201202202

• 3272Abstract/Metrics
• 1230 PDF(429KB)

• Preparation and Formation Mechanism of Uniform Polymer Microspheres in Precipitation Polymerization of Pentaerythritol Triacrylate and Styrene
• ZHANG Zhao, GU Xiang-Ling, ZHU Xiao-Li, KONG Xiang-Zheng
• Uniform polymer microspheres were prepared through precipitation polymerization of pentaerythritol triacrylate (PETA) an...
• 2012, 28 (04): 892-896. DOI: 10.3866/PKU.WHXB201202031

• 4935Abstract/Metrics
• 2026 PDF(853KB)

• Characterization of Chitosan Polymeric Ethosomes Capable of Encapsulating Hydrophobic and Hydrophilic Drugs Prepared by a Microemulsion Method
• LIANG Xiao-Fei, HU Jing-Ying, CHEN Fu-Hua, LI Zong-Hai, CHANG Jin
• Polymeric ethosomes, formed from amphiphilic octadecyl quaternized carboxymethyl chitosan (OQCMC) with different degrees...
• 2012, 28 (04): 897-902. DOI: 10.3866/PKU.WHXB201202091

• 5443Abstract/Metrics
• 1887 PDF(2046KB)

• Self-Assembly Behavior of Hydrophobically Associating Polyacrylamide in Salt Solution
• CHEN Hong, WU Xiao-Yan, YE Zhong-Bin, HAN Li-Juan, LUO Ping-Ya
• The self-assembly behavior of hydrophobically associating polyacrylamide (HAPAM) in salt solution was studied by static ...
• 2012, 28 (04): 903-908. DOI: 10.3866/PKU.WHXB201202171

• 4466Abstract/Metrics
• 1559 PDF(903KB)

• Dissipative Particle Dynamics Simulations on Mesoscopic Structures of Nafion and PVA/Nafion Blend Membranes
• SUN De-Lin, ZHOU Jian
• Dissipative particle dynamics simulations were performed to study the mesoscopic structures of both humidified Nafion an...
• 2012, 28 (04): 909-916. DOI: 10.3866/PKU.WHXB201201164

• 5388Abstract/Metrics
• 2308 PDF(8288KB)

• Preparation and Tribological Properties of Self-Assembled Composite Films on Silicon Surface
• PAN He, TENG Shu-Hua, DING Cui-Cui
• Composite films of 3-aminopropyltriethoxysilane (APTES)-SiO2-APTES were prepared on single-crystal silicon substrates us...
• 2012, 28 (04): 917-922. DOI: 10.3866/PKU.WHXB201201172

• 4159Abstract/Metrics
• 1738 PDF(1041KB)

CATALYSIS AND SURFACE SCIENCE

• Selective Hydrogenation of Cinnamaldehyde with Efficient Assembled Pt-Fe/C Catalysts
• ZHAO Lei, XU Xiang-Sheng, ZHANG Kai-Chao, YAN Xin-Huan
• Platinum nanoparticles (d=2.0 nm) were obtained by decomposition of Pt2(dba)3 (dba: dibenzalacetone) and captured by act...
• 2012, 28 (04): 923-927. DOI: 10.3866/PKU.WHXB201202081

• 5175Abstract/Metrics
• 1515 PDF(1101KB)

• Effects of Mg Addition on Catalytic Performance of PtNa/Sn-ZSM-5 in Propane Dehydrogenation
• XUE Meng-Wei, ZHOU Yu-Ming, ZHANG Yi-Wei, HUANG Li, LIU Xuan, DUAN Yong-Zheng
• The effects of Mg addition on the catalytic performance of PtNa/Sn-ZSM-5 in propane dehydrogenation was investigated usi...
• 2012, 28 (04): 928-934. DOI: 10.3866/PKU.WHXB201202073

• 5531Abstract/Metrics
• 1768 PDF(680KB)

• Reaction Pathway for Reforming Coke Oven Gas over NiO/MgO Catalyst in an Oxygen Permeation Membrane Reactor
• YANG Zhi-Bin, DING Wei-Zhong
• The reaction pathway for reforming coke oven gas (COG) in an oxygen permeation membrane was analyzed. Through the reform...
• 2012, 28 (04): 935-941. DOI: 10.3866/PKU.WHXB201202133

• 3235Abstract/Metrics
• 1356 PDF(1457KB)

PHOTOCHEMISTRY AND RADIATION CHEMISTRY

• Third-Order Nonlinear Optical Properties of 1,3-Dithiole-2-thione- 4,5-dithiolate Compounds at Different Wavelengths
• CHEN Jing-Wei, REN Quan, WANG Xin-Qiang, YANG Xu-Dong, LI Ting-Bin, YANG Hong-Liang, ZHU Lu-Yi, ZHANG Jing-Nan, LI Guo-Chao
• Two novel 1,3-dithiole-2-thione-4,5-dithiolate compounds, benzyltriethylamine bis(2-thioxo-1,3- dithiole-4,5-dithiolato)...
• 2012, 28 (04): 942-948. DOI: 10.3866/PKU.WHXB201202201

• 4264Abstract/Metrics
• 1575 PDF(1304KB)

• Luminescence Characteristics of Blue Emission Phosphorescent Material Firpic
• WANG Jian, ZHANG Fu-Jun, XU Zheng, WANG Yong-Sheng
• The luminescent properties of bis[(4,6-difluorophenyl)-pyridinato-N,C2']c(picolinate)iridium(III) (FIrpic) dependence on...
• 2012, 28 (04): 949-956. DOI: 10.3866/PKU.WHXB201201163

• 7702Abstract/Metrics
• 2920 PDF(1776KB)

• Laser Flash Photolysis Mechanism of Pyrenetetrasulfonate in Aqueous Solution
• YUAN Hai-Xia, PAN Hu-Xiang, WU Yan-Lin, ZHAO Jian-Feng, DONG Wen-Bo
• The mechanism of photochemical reactions of pyrenetetrasulfonate (PyTS) in aqueous solution was studied using laser flas...
• 2012, 28 (04): 957-962. DOI: 10.3866/PKU.WHXB201202203

• 4907Abstract/Metrics
• 1425 PDF(728KB)

• Photodissociation Spectra of OCS⁺ via A²П←X²П Transitions
• ZHOU Dan-Na, CHEN Lin, WU Dan, ZHANG Li-Min
• In the wavelength range 260-325 nm, we obtained mass-resolved dissociation spectra of OCS+ via A2П3/2←X2П3/2 (000) ...
• 2012, 28 (04): 963-970. DOI: 10.3866/PKU.WHXB201202162

• 3811Abstract/Metrics
• 1182 PDF(1005KB)

BIOPHYSICAL CHEMISTRY

• Effect of Alkali Metal Ions on the Dissociation of Glycine Pentapeptide in the Gas Phase
• WANG Qing, CHU Yan-Qiu, ZHANG Kai, DAI Xin-Hua, FANG Xiang, DING Chuan-Fan
• To obtain more structural information of polypeptides, glycine pentapeptide (simplified as GGGGG or G5) was chosen as a ...
• 2012, 28 (04): 971-977. DOI: 10.3866/PKU.WHXB201112201

• 4286Abstract/Metrics
• 1455 PDF(520KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Simulating Patterned Structures in Block Copolymer Nanodroplets Using Explicit Solvent Model
• WU Shao-Gui, SUN Ting, ZHOU Ping, ZHOU Jun
• Dissipative particle dynamics (DPD) simulation technique is used to elucidate the microphase separation behavior of bloc...
• 2012, 28 (04): 978-984. DOI: 10.3866/PKU.WHXB201202142

• 3915Abstract/Metrics
• 1538 PDF(2027KB)

• Adsorption Capacity of Carbon Dioxide on Amine Modified Mesoporous Materials with Larger Pore Sizes
• ZHAO Hui-Min, LIN Dan, YANG Gang, CHUN Yuan, XU Qin-Hua
• Mesoporous silica SBA-15-like materials with large pores were synthesized using tri-block copolymer P123 as a structure-...
• 2012, 28 (04): 985-992. DOI: 10.3866/PKU.WHXB201202071

• 4937Abstract/Metrics
• 2110 PDF(1006KB)