化学信息学实验室
2013年发表的部分论文目录
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2013
| [1] | 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 | |
| [2] | 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 | |
| [3] | Yan Liu, Wensheng Cai, Xueguang Shao |
| Intelligent background correction using an adaptive lifting wavelet | |
| Chemometrics and Intelligent Laboratory Systems, 2013, 125:11-17 | |
| [4] | 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 | |
| [5] | 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 | |
| [6] | 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 | |
| [7] | Liu Peng, Shao Xueguang, Cai Wensheng |
| Application of pesudorotaxanes / rotaxanes in drug carriers | |
| Progress in Chemistry, 2013, 25(5): 692-697 | |
| [8] | 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 | |
| [9] | 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 | |
| [10] | 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 | |
| [11] | 梅桢, 蔡文生, 邵学广 |
| 一种新型交替迭代算法用于农药GC-MS信号快速分析 | |
| 化学学报, 2013, 71: 729-732 | |
| [12] | 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 | |
| [13] | 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 | |
| [14] | 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 | |
| [15] | 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 | |
| [16] | Jiarun Tu, Wensheng Cai, Xueguang Shao |
| Direct separation of faradaic and double layer charging current in potential step voltammetry | |
| Talanta, 2013, 116: 575-580 |