化学信息学实验室
2011年发表的部分论文目录
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2011
| [1] | 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 | |
| [2] | Teng Wang, Christophe Chipot, Xueguang Shao, Wensheng Cai |
| Structural characterization of micelles formed of cholesteryl-functionalized cyclodextrins | |
| Langmuir, 2011, 27 (1):91-97 | |
| [3] | 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 | |
| [4] | 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 | |
| [5] | 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 | |
| [6] | 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 | |
| [7] | Xia Qin, Huicai Wang, Xinsheng Wang, Zhiying Miao, Yuxin Fang, Qiang Chen, Xueguang Shao |
| Synthesis of dendritic silver nanostructures and their application in hydrogen peroxide electroreduction | |
| Electrochimica Acta, 2011, 56(9): 3170-3174 | |
| [8] | Xia Qin, Huicai Wang, Zhiying Miao, Xinsheng Wang, Yuxin Fang, Qiang Chen, Xueguang Shao |
| Synthesis of silver nanowires and their applications in the electrochemical detection of halide | |
| Talanta, 2011, 84(3): 673-678 | |
| [9] | 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 | |
| [10] | 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 | |
| [11] | 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 | |
| [12] | 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 | |
| [13] | 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 | |
| [14] | Jun Kang, Wensheng Cai, Xueguang Shao |
| Quantitative determination by temperature dependent near-infrared spectra: a further study | |
| Talanta, 2011, 85: 420-424 | |
| [15] | 李积慧, 杜国荣, 康俊, 蔡文生, 邵学广 |
| 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 | |
| 分析化学, 2011, 39(6): 898-901 | |
| [16] | 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 | |
| [17] | 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 | |
| [18] | Peng Wu, Lingni Miao, Hefang Wang, Xueguang Shao, Xiuping Yan |
| A multidimensional sensing device for the discrimination of proteins based on manganese-doped ZnS quantum dots | |
| Angewandte Chemie-International Edition, 2011, 50(35):8118-8121 | |
| [19] | 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 | |
| [20] | 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 | |
| [21] | 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 |