化学信息学实验室
2014年发表的部分论文目录

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2014

[1] Jiarun Tu, Wensheng Cai, Xueguang Shao
Enhancing the sensitivity of potential step voltammetry using chemometric resolution
Analyst, 2014, 139: 1016-1022
[2] Ruifeng Shan, Wensheng Cai, Xueguang Shao
Variable selection based on locally linear embedding mapping for near-infrared spectral analysis
Chemometrics and Intelligent Laboratory Systems, 2014, 131: 31-36
[3] Jia He, Ming Wu, Xizeng Feng, Xueguang Shao, Wensheng Cai
Immobilization of papain on nanoporous silica
RSC Advances, 2014, 4(26): 13304-13312
[4] Xi Wu, Wensheng Cai and Xueguang Shao
Resolving overlapping GC-MS signal with a multistep screening chemometric approach for the fast determination of pesticides
Journal of Separation Science, 2014, 37(7): 828-834
[5] Ruifeng Shan, Zhiyi Mao, Lihui Yin, Wensheng Cai, Xueguang Shao
Discrimination of Chinese patent medicines using near-infrared spectroscopy and principal component accumulation method
Analytical Methods, 2014, 6(13): 4692–4697
[6] Zhiyi Mao, Ruifeng Shan, Jiajun Wang, Wensheng Cai, Xueguang Shao
Optimizing the models for rapid determination of chlorogenic acid, scopoletin and rutin in plant samples by near-infrared diffuse reflectance spectroscopy
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014, 128: 711-715
[7] Peng Liu, Christophe Chipot, Wensheng Cai, Xueguang Shao
Unveiling the underlying mechanism for compression and decompression strokes of a molecular engine
Journal of Physical Chemistry C, 2014, 118(23):12562-12567
[8] Jiarun Tu, Wensheng Cai, Xueguang Shao
Direct quantitative analysis from the current curve data of pulse voltammetric techniques
Journal of Electroanalytical Chemistry, 2014, 725: 25-31
[9] Pao Li, Zhen Mei, Wensheng Cai, Xueguang Shao
Rapid analysis of phthalic acid esters in environmental water using fast elution gas chromatography with mass spectrometry and adaptive library spectra
Journal of Separation Science, 2014, 37(13): 1585-1590
[10] Yan Liu, Wensheng Cai, Xueguang Shao
Standardization of near infrared spectra measured on multi-instrument
Analytica Chimica Acta, 2014, 836: 18-23
[11] Jing Han, Pao Li, Wensheng Cai; Xueguang Shao
Fast determination of ginsenosides in ginseng by high-performance liquid chromatography with chemometric resolution
Journal of Separation Science, 2014, 37(16): 2126-2130
[12] Han Jing, Wu Xi, Cai Wensheng, Shao Xueguang
Rapid Determination of Amino Acids in Ginseng by High Performance Liquid Chromatography and Chemometric Resolution
Chemical Research in Chinese Universities, 2014, 30(4): 578-581
[13] Ying Liu, Christophe Chipot, Xueguang Shao, Wensheng Cai
Threading or Tumbling? Insight into the Self-Inclusion Mechanism of an altro-alpha-Cyclodextrin Derivative
Journal of Physical Chemistry C, 2014, 118(33): 19380-19386
[14] Haohao Fu, Yingzhe Liu, Ferran Adria, Xueguang Shao, Wensheng Cai, Christophe Chipot
From Material Science to Avant-Garde Cuisine. The Art of Shaping Liquids into Spheres
Journal of Physical Chemistry B, 2014, 118(40): 11747-11756
[15] Jia He, Christophe Chipot, Xueguang Shao, Wensheng Cai
Cooperative Recruitment of Amphotericin B Mediated by a Cyclodextrin Dimer
Journal of Physical Chemistry C, 2014, 118(41): 24173-24180
[16] Peng Liu, Xueguang Shao, Christophe Chipot, Wensheng Cai
Complexation mechanism of cucurbit[6]uril with hexamethylene diammonium cations in saline solution
Physical Chemistry Chemical Physics, 2014, 16(44): 24169-24172