化学信息学实验室
2011年发表的部分论文目录
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2005
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1996
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1995
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Books
2011
[1] |
Teng Wang, Xueguang Shao, Wensheng Cai, Yonglai Xue, Shuai Wang, Xizeng Feng |
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Predicting the coordination geometry for Mg2+ in the p53 DNA-binding domain: insights from computational studies |
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Physical Chemistry Chemical Physics, 2011, 13:1140-1151 |
[2] |
Teng Wang, Christophe Chipot, Xueguang Shao, Wensheng Cai |
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Structural characterization of micelles formed of cholesteryl-functionalized cyclodextrins |
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Langmuir, 2011, 27 (1):91-97 |
[3] |
Lingni Miao, Wensheng Cai, Xueguang Shao |
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Rapid analysis of multicomponent pesticide mixture by GC-MS with the aid of chemometric resolution |
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Talanta, 2011, 83:1247-1253 |
[4] |
Wensheng Cai, Teng Wang, Yingzhe Liu, Peng Liu, Christophe Chipot, Xueguang Shao |
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Free energy calculations for cyclodextrin inclusion complexes |
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Current Organic Chemistry, 2011, 15:839-847 |
[5] |
Yingzhe Liu, Christophe Chipot, Xueguang Shao, Wensheng Cai |
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Free-energy landscape of the helical wrapping of a carbon nanotube by a polysaccharide |
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Journal of Physical Chemistry C, 2011, 115:1851-1856 |
[6] |
Yan Zhang, Yong Hao, Wensheng Cai, Xueguang Shao |
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Simultaneous determination of phenol and p-nitrophenol in wastewater using near-infrared diffuse reflectance spectroscopy with adsorption preconcentration |
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Analytical Methods, 2011, 3:703-708 |
[7] |
Xia Qin, Huicai Wang, Xinsheng Wang, Zhiying Miao, Yuxin Fang, Qiang Chen, Xueguang Shao |
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Synthesis of dendritic silver nanostructures and their application in hydrogen peroxide electroreduction |
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Electrochimica Acta, 2011, 56(9):3170-3174 |
[8] |
Xia Qin, Huicai Wang, Zhiying Miao, Xinsheng Wang, Yuxin Fang, Qiang Chen, Xueguang Shao |
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Synthesis of silver nanowires and their applications in the electrochemical detection of halide |
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Talanta, 2011, 84(3):673-678 |
[9] |
Jihui Li, Yan Zhang, Wensheng Cai, Xueguang Shao |
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Simultaneous determination of mercury, lead and cadmium ions in water using near-infrared spectroscopy with preconcentration by thiol-functionalized magnesium phyllosilicate clay |
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Talanta, 2011, 84(3):679-683 |
[10] |
Xueguang Shao, Lingni Miao, Zhichao Liu, Huili Liu, Wensheng Cai |
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Simultaneous identification and quantitative determination of amino acids in mixture by NMR spectroscopy using chemometric resolution |
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Spectroscopy Letters: An International Journal for Rapid Communication, 2011, 44(4):244-250 |
[11] |
Jingjing Liu, Wensheng Cai, Xueguang Shao |
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Cancer classification based on microarray gene expression data using a principal component accumulation method |
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Science China Chemistry, 2011, 54(5):802-811 |
[12] |
Yan Li, Guorong Du, Wensheng Cai, Xueguang Shao |
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Classification and quantitative analysis of Azithromycin tablets by Raman spectroscopy and chemometrics |
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American Journal of Analytical Chemistry, 2011, 2:135-141 |
[13] |
Jingjing Liu, Xiang Ma, Yadong Wen, Yi Wang, Wensheng Cai, Xueguang Shao |
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On-line near-infrared spectroscopy combined with alternating trilinear decomposition for process analysis of industrial production and quality assurance |
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Industrial & Engineering Chemistry Research, 2011, 50(12):7677-7681 |
[14] |
Jun Kang, Wensheng Cai, Xueguang Shao |
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Quantitative determination by temperature dependent near-infrared spectra: a further study |
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Talanta, 2011, 85: 420-424 |
[15] |
李积慧, 杜国荣, 康俊, 蔡文生, 邵学广 |
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阴离子交换树脂结合近红外漫反射光谱测定碳酸饮料中日落黄 |
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分析化学, 2011, 39(6):898-901 |
[16] |
Yingzhe Liu, Christophe Chipot, Xueguang Shao, Wensheng Cai |
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The effects of 7-dehydrocholesterol on the structural properties of membranes |
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Physical Biology, 2011, 8(5):056005 |
[17] |
Jingjing Liu, Heng Xu, Wensheng Cai, Xueguang Shao |
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Discrimination of industrial products by on-line near infrared spectroscopy with an improved dendrogram |
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Chinese Chemical Letters, 2011, 22(10):1241-1244 |
[18] |
Peng Wu, Lingni Miao, Hefang Wang, Xueguang Shao, Xiuping Yan |
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A multidimensional sensing device for the discrimination of proteins based on manganese-doped ZnS quantum dots |
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Angewandte Chemie-International Edition, 2011, 50(35):8118-8121 |
[19] |
Min Zhang, Wensheng Cai, Xueguang Shao |
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Wavelet unfolded partial least squares for near-infrared spectral quantitative analysis of blood and tobacco powder samples |
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Analyst, 2011, 136(20):4217-4221 |
[20] |
Zhinan Ma, Wensheng Cai, Xueguang Shao |
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Impact of different potentials on the structures and energies of clusters |
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Journal of Computational Chemistry, 2011, 32(14):3075-3080 |
[21] |
Bian Xihui, Chen Da, Cai Wensheng, Grant Edward, Shao Xueguang |
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Rapid determination of metabolites in bio-fluid samples by Raman spectroscopy and optimum combinations of chemometric methods |
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Chinese Journal of Chemistry, 2011, 29:2525-2532 |