化学信息学实验室
2015年发表的部分论文目录
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2015
| [1] | Ruifeng Shan, Yue Zhao, Mengli Fan, Xiuwei Liu, Wensheng Cai, Xueguang Shao |
| Multilevel analysis of temperature dependent near-infrared spectra | |
| Talanta, 2015, 131: 170-174 | |
| [2] | Haohao Fu, Jeffrey Comer, Wensheng Cai, Christophe Chipot |
| Sonoporation at small and large length scales: effect of cavitation Bubble Collapse on Membranes | |
| Journal of Physical Chemistry Letters, 2015, 6, 413-418 | |
| [3] | 何佳, 冯喜增, 邵学广, 蔡文生 |
| 疏水蛋白在云母表面的吸附 | |
| 高等学校化学学报, 2015, 36(1): 110-115 | |
| [4] | 刘言, 蔡文生, 邵学广 |
| 大数据与化学数据挖掘 | |
| 科学通报, 2015, 60(8): 694-703 | |
| [5] | 刘言, 蔡文生, 邵学广 |
| 近红外光谱分析方法研究: 从传统数据到大数据 | |
| 科学通报, 2015, 60(8): 704-713 | |
| [6] | Zhenzhen Xia, Wensheng Cai, Xueguang Shao |
| Rapid discrimination of slimming capsules based on illegal additives by electronic nose and flash gas chromatography | |
| Journal of separation science, 2015, 38( 4):621-625 | |
| [7] | Pao Li, Wensheng Cai, Xueguang Shao |
| Improved inductively coupled plasma optical emission spectroscopy analysis of trace elements in complex matrices by chemometric resolution | |
| Journal of Analytical Atomic Spectrometry, 2015, 30(4): 936-940 | |
| [8] | 樊梦丽, 赵越, 刘言, 蔡文生, 邵学广 |
| 近红外光谱水光谱组学 | |
| 化学进展, 2015, 27(2-3) : 242-250 | |
| [9] | Ganghui Chu, Wensheng Cai, Xueguang Shao |
| Preparation of 4-butylaniline-bonded attapulgite for pre-concentration of bisphenol A in trace quantity | |
| Talanta, 2015, 136:29-34 | |
| [10] | Ganghui Chu, Wensheng Cai, Xueguang Shao |
| Preparation of 4-butylaniline-bonded silica gel for the solid-phase extraction of flavone glycosides | |
| Journal of Separation Science, 2015, 38(7): 1149-1155 | |
| [11] | Zhenzhen Xia, Wensheng Cai, Xueguang Shao |
| Predicting Chromatographic Retention Time of C-10-Chlorinated Paraffins in Gas Chromatography-Mass Spectrometry Using Quantitative Structure Retention Relationship | |
| Chemical Research in Chinese Universities, 31(2): 192-197 | |
| [12] | Pao Li, Wensheng Cai, Xueguang Shao |
| Standard signal extraction for analyzing target analytes in real samples with complex matrices | |
| Journal of Chemometrics, 2015, 29(5): 300-308 | |
| [13] | Yihang Zeng, Wensheng Cai, Xueguang Shao |
| Quantitative analysis of 17 amino acids in tobacco leaves using amino acid analyzer and chemometric resolution | |
| Journal of separation sciences, 2015, 38(12): 2053-2058 | |
| [14] | Xiaoyong Li, Zhihong Xu, Wensheng Cai, Xueguang Shao |
| Filter design for molecular factor computing using wavelet functions | |
| Analytica Chimica Acta, 2015, 880: 26-31 | |
| [15] | Ying Liu, Christophe Chipot, Xueguang Shao, Wensheng Cai |
| What causes tumbling of altro-alpha-CD derivatives? Insight from computer simulations | |
| RSC Advances, 2015, 5(71): 57309-57317 | |
| [16] | Pao Li, Wensheng Cai, Xueguang Shao |
| Generalized window factor analysis for selective analysis of the target component in real samples with complex matrices | |
| Journal of Chromatography A, 2015, 1407: 203-207 | |
| [17] | Zhihong Xu, Yan Liu, Xiaoyong Li, Wensheng Cai, Xueguang Shao |
| Discriminant analysis of Chinese patent medicines based on near-infrared spectroscopy and principal component discriminant transformation | |
| Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 2015, 149 : 985-990 | |
| [18] | Zhenzhen Xia, Yan Liu, Wensheng Cai, Xueguang Shao |
| Band target entropy minimization for retrieving the information of individual components from overlapping chromatographic data | |
| Journal of Chromatography A, 2015, 1411 : 110-115 | |
| [19] | Peng Liu, Xueguang Shao, Wensheng Cai |
| Deciphering the mechanism involved in the switch on/off of molecular pistons | |
| Chinese Journal of Chemistry, 2015, 33(10): 1199-1205 | |
| [20] | Haohao Fu, Christophe Chipot, Xueguang Shao, Wensheng Cai |
| Why do the structural properties of complexes formed by glucans and carbon nanotubes differ so much? | |
| RSC Advances, 2015, 5(116): 95682-95689 | |
| [21] | 汪双双, 刘鹏, 蔡文生, 邵学广 |
| 链状结构的疏水性对溶剂控制的轮烷穿梭行为的影响 | |
| 高等学校化学学报, 2015, 36(11) : 2211-2219 | |
| [22] | Yan Liu, Wensheng Cai, Xueguang Shao |
| Designing classification filters for integrated sensing and processing using optimal discriminant vectors | |
| Chemometrics and Intelligent Laboratory Systems 149 (2015) : 22-27 | |
| [23] | Xiaoyong Li, Wensheng Cai, Xueguang Shao |
| Correcting multivariate calibration model for near infrared spectral analysis without using standard samples | |
| Journal of Near Infrared Spectroscopy, 2015, 23(5) : 285-291 | |
| [24] | 王家俊, 李正风, 王萝萍, 卞希慧, 蔡文生, 邵学广 |
| 蒙特卡洛交叉验证用于偏最小二乘建模数据质量的评价 | |
| 计算机与应用化学, 2015, 32(12) : 1530-1536 |