A Publication List of the Laboratory Since 1995

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Jinchao Shen, Zhixiu Xu, Jibao Cai, Xueguang Shao


Determination of pyrethroid residues in tobacco by means of spme and GC/MS with the aid of ultrasonic assisted extraction using water as extracting solvent

Analytical Sciences, 2006, 22(2):241-144



Jinchao Shen, Xueguang Shao


Determination of tobacco alkaloids by GC-MS using cloud point extraction as a preconcentration step

Analytica Chimica Acta, 2006, 561(1-2):83-87



Yi Lin, Wensheng Cai, Xueguang Shao


Comparison studies of fullerenes C72, C74, C76 and C78 by tight-binding Monte Carlo and quantum chemical methods

Journal of Molecular Structure: THEOCHEM, 2006, 760(1-3):153-158



Xueguang Shao, Guoqing Wang, Yuan Sun, Rongjie Zhang, Kui Xie, Hongli Liu


Determination and characterization of the pyrolysis products of isoprocarb by GCMS

Journal of Chromatographic Science, 2006, 44(3):141-147



Hou Zhenyu, Wang Wei, Cai Wensheng, Shao Xueguang


A local regression method based on independent component analysis and its application in near infrared spectral analysis

Computers and Applied Chemistry, 2006, 23(3):224-226



Yanmin Yu, Christophe Chipot, Wensheng Cai, and Xueguang Shao


Molecular dynamics study of the inclusion of cholesterol into cyclodextrins

Journal of Physical Chemistry B, 2006, 110(12):6372-6378



Guoqing Wang, Wensheng Cai, Xueguang Shao


A primary study on resolution of overlapping GC-MS signal using mean-field approach independent component analysis

Chemometrics and Intelligent Laboratory Systems, 2006, 82(1-2):137-144



Wensheng Cai, Yanmin Yu, Xueguang Shao


Studies on the Interaction of α-cyclodextrin with phospholipid by a flexible docking algorithm

Chemometrics and Intelligent Laboratory Systems, 2006, 82(1-2):260-268



Xueguang Shao, Wei Wang, Zhenyu Hou, Wensheng Cai


A new regression method based on independent component analysis

Talanta, 2006, 69(3):676-680



Huan Zhan, Longjiu Cheng, Wensheng Cai, Xueguang Shao


Structural optimization of silver clusters from Ag61 to Ag120 by dynamic lattice searching method

Chemical Physics Letters, 2006, 422:358-362



Shen Jinchao, Shao Xueguang


Cloud point extraction and its applications to the separation and analysis of organic compounds

Progress in Chemistry, 2006, 18(4):482-487



Wu Ronghui, Shao Xueguang


Application of near-infrared spectra in the determination of water soluble chloride ion in plant samples

Spectroscopy and Spectral Analysis, 2006, 26 (4): 617-619



Hou Zhenyu, Cai Wensheng, Shao Xueguang


Principal component analysis-support vector regression and its application in near infrared spectral analysis

Chinese Journal of Analytical Chemistry, 2006, 34(5):617-620



Zhenqiang Su, Weida Tong, Leming Shi, Xueguang Shao, Wensheng Cai


A partial least squares-based consensus regression method for the analysis of near-infrared complex spectral data of plant samples

Analytical Letters, 2006, 39 (9):2073-2083



Yi Lin, Wensheng Cai, Xueguang Shao


Formation and stability of parallel carbon nanotube junctions

Journal of Molecular Structure: THEOCHEM, 2006, 767:87-93




Lei Xu, Wensheng Cai, Xueguang Shao


Prediction of Low-Energy Isomers of Large Fullerenes from C132 to C160

Journal of Physical Chemistry A, 2006, 110:9247-9253




Ding Houqiang, Cai Wensheng, Shao Xueguang


Chiral recognition of amino acids by a-cyclodextrin using free energy perturbation calculation

Computers and Applied Chemistry, 2006, 23(7):584-586



Michel E. B. Yamagishi, Natália F. Martins, Goran Neshich, Wensheng Cai, Xueguang Shao, Alexandre Beautrait, Bernard Maigret


A fast surface-matching procedure for protein-ligand docking

Journal of Molecular Modeling, 2006, 12 (6): 965-972




Yanmin Yu, Wensheng Cai, Xueguang Shao


A simulation on the complexation of cyclodextrins with phospholipid headgroups

Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2006, 56 (1-2): 225-235




Yi Lin, Wensheng Cai, Xueguang Shao


Fullerenes connected nanotubes: an approach to build multidimensional carbon nanocomposites

Chemical Physics, 2006, 331, 85-91




Li Shiyong, Wang Fang, Shao Xueguang


Comparison of tobacco totoal sugar NIR prediction models developed with least square support vector regression and partial leat squre regression

Tobacco Science & Technology, 2006, (11):45-48