Teng Wang, Xueguang Shao, Wensheng Cai, Yonglai Xue, Shuai Wang, Xizeng Feng



Predicting the coordination geometry for Mg2+ in the p53 DNA-binding domain: insights from computational studies

Physical Chemistry Chemical Physics, 2011, 13:1140-1151

doi: 10.1039/C0CP00678E


Teng Wang, Christophe Chipot, Xueguang Shao, Wensheng Cai



Structural characterization of micelles formed of cholesteryl-functionalized cyclodextrins

Langmuir, 2011, 27 (1):91-97

doi: 10.1021/la103288j


Lingni Miao, Wensheng Cai, Xueguang Shao



Rapid analysis of multicomponent pesticide mixture by GC-MS with the aid of chemometric resolution

Talanta, 2011, 83:1247-1253

doi: 10.1016/j.talanta.2010.07.001


Wensheng Cai, Teng Wang, Yingzhe Liu, Peng Liu, Christophe Chipot, Xueguang Shao



Free energy calculations for cyclodextrin inclusion complexes

Current Organic Chemistry, 2011, 15:839-847

doi: 10.2174/138527211794518853


Yingzhe Liu, Christophe Chipot, Xueguang Shao, Wensheng Cai



Free-energy landscape of the helical wrapping of a carbon nanotube by a polysaccharide

Journal of Physical Chemistry C, 2011, 115:1851-1856

doi: 10.1021/jp111981y


Yan Zhang, Yong Hao, Wensheng Cai, Xueguang Shao



Simultaneous determination of phenol and p-nitrophenol in wastewater using near-infrared diffuse reflectance spectroscopy with adsorption preconcentration

Analytical Methods, 2011, 3:703-708

doi: 10.1039/C0AY00775G


Jihui Li, Yan Zhang, Wensheng Cai, Xueguang Shao



Simultaneous determination of mercury, lead and cadmium ions in water using near-infrared spectroscopy with preconcentration by thiol-functionalized magnesium phyllosilicate clay

Talanta, 2011, 84(3):679-683

doi: 10.1016/j.talanta.2011.01.072


Xueguang Shao, Lingni Miao, Zhichao Liu, Huili Liu, Wensheng Cai



Simultaneous identification and quantitative determination of amino acids in mixture by NMR spectroscopy using chemometric resolution

Spectroscopy Letters: An International Journal for Rapid Communication, 2011, 44(4):244-250

doi: 10.1080/00387010.2010.509881


Jingjing Liu, Wensheng Cai, Xueguang Shao



Cancer classification based on microarray gene expression data using a principal component accumulation method

Science China Chemistry, 2011, 54(5):802-811

doi: 10.1007/s11426-011-4263-5


Yan Li, Guorong Du, Wensheng Cai, Xueguang Shao



Classification and quantitative analysis of Azithromycin tablets by Raman spectroscopy and chemometrics

American Journal of Analytical Chemistry, 2011, 2:135-141

doi: 10.4236/ajac.2011.22015


Jingjing Liu, Xiang Ma, Yadong Wen, Yi Wang, Wensheng Cai, Xueguang Shao



On-line near-infrared spectroscopy combined with alternating trilinear decomposition for process analysis of industrial production and quality assurance

Industrial & Engineering Chemistry Research, 2011, 50(12):7677-7681

doi: 10.1021/ie200543v


Jun Kang, Wensheng Cai, Xueguang Shao



Quantitative determination by temperature dependent near-infrared spectra: a further study

Talanta, 2011, 85:420-424

doi: 10.1016/j.talanta.2011.03.089


Jihui Li, Guorong Du, Jun Kang, Wensheng Cai, Xueguang Shao



Determination of sunset yellow in carbonated drinks by anion exchange resin in combination

with near-infrared diffuse reflectance spectroscopy

Chinese Journal of Analytical Chemistry, 2011, 39(6):898-901


Yingzhe Liu, Christophe Chipot, Xueguang Shao, Wensheng Cai



The effects of 7-dehydrocholesterol on the structural properties of membranes

Physical Biology, 2011, 8(5): 056005

doi: 10.1088/1478-3975/8/5/056005


Jingjing Liu, Heng Xu, Wensheng Cai, Xueguang Shao



Discrimination of industrial products by on-line near infrared spectroscopy with an improved dendrogram

Chinese Chemical Letters, 2011, 22(10):1241-1244

doi: 10.1016/j.cclet.2011.04.019


Min Zhang, Wensheng Cai, Xueguang Shao



Wavelet unfolded partial least squares for near-infrared spectral quantitative analysis of blood and tobacco powder samples

Analyst, 2011, 136(20):4217-4221

doi: 10.1039/C1AN15222J


Zhinan Ma, Wensheng Cai, Xueguang Shao



Impact of different potentials on the structures and energies of clusters

Journal of Computational Chemistry, 2011, 32(14):3075-3080

doi: 10.1002/jcc.21891


Bian Xihui, Chen Da, Cai Wensheng, Grant Edward, Shao Xueguang



Rapid determination of metabolites in bio-fluid samples by Raman spectroscopy and optimum combinations of chemometric methods

Chinese Journal of Chemistry, 2011, 29:2525-2532

doi: 10.1002/cjoc.201180425