Cai Wensheng, Christophe Chipot




Frontiers in High-Performance, Large-Scale Molecular Dynamics. 35 Years of Molecular-Dynamics Simulations of Biological Systems


Acta Chimica Sinica, 2013, 71(02):159-168

doi: 10.1039/10.6023/A12110930



Cai-Jing Cui, Wen-Sheng Cai, Xue-Guang Shao




Near-infrared diffuse reflectance spectroscopy with sample spots and chemometrics for fast determination of bovine serum albumin in micro-volume samples


Chinese Chemical Letters, 2013, 24:67-69

doi: 10.1016/j.cclet.2012.12.012



Yan Liu, Wensheng Cai, Xueguang Shao




Intelligent background correction using an adaptive lifting wavelet


Chemometrics and Intelligent Laboratory Systems, 2013, 125:11-17

doi: 10.1016/j.chemolab.2013.03.010



Weiwei Yu, Wensheng Cai, Xueguang Shao




Fast determination of phenanthrene in soil by gas chromatography - mass spectrometry using chemometric resolution and standard addition method


Chinese Journal of Chemistry, 31(4): 545-550

doi: 10.1002/cjoc.201300004



Mei Zhen, Cai Wen-sheng, Shao Xue-guang




Rapid analysis of complex samples by GC-MS with immune algorithm


Chemical Journal of Chinese Universities, 2013, 34(4):819-822

doi: 10.7503/cjcu20120991



Wang Yi, Ma Xiang, Wen Yadong, Zou Quan, Wang Jun, Tu Jiarun, Cai Wensheng, Shao Xueguang




Near infrared spectroscopy and multivariate statistical process analysis for real-time monitoring of production process


Spectroscopy and spectral analysis, 2013, 33(5):1226-1229

doi: 10.3964/j.issn.1000-0593(2013)05-1226-04



Liu Peng, Shao Xueguang, Cai Wensheng




Application of pesudorotaxanes / rotaxanes in drug carriers


Progress in Chemistry, 2013, 25(5): 692-697



Xi Wu, Weiwei Yu, Xiangyu Luo, Wensheng Cai, Xueguang Shao




Chemometric Resolution for Rapid Determination of Prometryn in Leek Samples Using GC–MS


Chromatographia, 2013, 76: 849–855

doi: 10.1007/s10337-013-2487-6



Jia He, Christophe Chipot, Xueguang Shao, and Wensheng Cai




Cyclodextrin-Mediated Recruitment and Delivery of Amphotericin B


Journal of Physical Chemistry C, 2013, 117(22): 11750–11756

doi: 10.1021/jp3128324



Zhen Mei, Guorong Du, Wensheng Cai, Xueguang Shao




A chemometric method to identify selective ion for resolution of overlapping gas chromatography-mass spectrometry signal


Science China Chemistry, 2013, 56(5): 656-663



Mei Zhen, Cai Wensheng, Shao Xueguang




Rapid analysis of pesticide mixture by gas chromatography-mass spectrometry with a new alternative iterative algorithm


Acta Chimica Sinica, 2013, 71: 729-732



Weiwei Yu, Wensheng Cai, Xueguang Shao

Chemometric approach for fast analysis of prometryn in human hair by GC-MS

Journal of Separation Science, 2013, 36(14): 2277-2282


Zhiyi Mao, Wensheng Cai, Xueguang Shao

Selecting significant genes by randomization test for cancer classification using gene expression data

Journal of Biomedical Informatics, 2013, 46(4): 594-601

doi: 10.1016/j.jbi.2013.03.009


Yan Liu, Yu Ning, Wensheng Cai, Xueguang Shao

Micro-analysis by near-infrared diffuse reflectance spectroscopy with chemometric method

Analyst, 2013, 138(21): 6617 – 6622

doi: 10.1039/c3an01232h


Fengxia Liu, Wensheng Cai, Xueguang Shao

Selective determination of mercury (II) ion in water by near-infrared diffuse reflectance spectroscopy with the aids of preconcentration and multivariate calibration

Vibrational Spectroscopy, 2013, 68: 104-108

doi: 10.1016/j.vibspec.2013.05.014


Jiarun Tu, Wensheng Cai, Xueguang Shao

Direct separation of faradaic and double layer charging current in potential step voltammetry

Talanta, 2013, 116: 575-580

doi: 10.1016/j.talanta.2013.07.021