A Publication List of the Laboratory Since 1995

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2006

[1]	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

[2]	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 http://dx.doi.org/doi:10.1016/j.aca.2006.01.002

[3]	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 http://dx.doi.org/doi:10.1016/j.theochem.2005.12.006

[4]	Xueguang Shao, Guoqing Wang, Yu’an Sun, Rongjie Zhang, Kui Xie, Hongli Liu
	Determination and characterization of the pyrolysis products of isoprocarb by GC–MS
	Journal of Chromatographic Science, 2006, 44(3):141-147

[5]	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

[6]	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 http://dx.doi.org/doi:10.1021/jp056751a

[7]	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 http://dx.doi.org/10.1016/j.chemolab.2005.05.009

[8]	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 http://dx.doi.org/10.1016/j.chemolab.2005.05.010

[9]	Xueguang Shao, Wei Wang, Zhenyu Hou, Wensheng Cai
	A new regression method based on independent component analysis
	Talanta, 2006, 69(3):676-680 http://dx.doi.org/10.1016/j.talanta.2005.10.039

[10]	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 http://dx.doi.org/10.1016/j.cplett.2006.02.084

[11]	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

[12]	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

[13]	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

[14]	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

[15]	Yi Lin, Wensheng Cai, Xueguang Shao
	Formation and stability of parallel carbon nanotube junctions
	Journal of Molecular Structure: THEOCHEM, 2006, 767:87-93 doi:10.1016/j.theochem.2006.05.003

[16]	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 doi:10.1021/jp057181h

[17]	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

[18]	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 doi:10.1007/s00894-006-0109-z

[19]	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 doi:10.1007/s10847-006-9088-z

[20]	Yi Lin, Wensheng Cai, Xueguang Shao
	Fullerenes connected nanotubes: an approach to build multidimensional carbon nanocomposites
	Chemical Physics, 2006, 331, 85-91 doi:10.1016/j.chemphys.2006.09.03

[21]	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