化学信息学实验室
2012年发表的部分论文目录

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2012

[1] Xueguang Shao, Min Zhang, Wensheng Cai
Multivariate calibration of near-infrared spectra by using influential variables
Analytical Methods, 2012, 4:467-473
[2] Peng Liu, Christophe Chipot, Xueguang Shao, Wensheng Cai
Solvent-controlled shuttling in a molecular switch
Journal of Physical Chemistry C, 2012, 116:4471-4476
[3] Xia Qin, Zhiying Miao, Yuxin Fang, Di Zhang, Jia Ma, Lu Zhang, Qiang Chen, Xueguang Shao
Preparation of dendritic nanostructures of silver and their characterization for electroreduction
Langmuir, 2012, 28 (11):5218-5226
[4] Yingzhe Liu, Christophe Chipot, Xueguang Shao, Wensheng Cai
Edge effects control helical wrapping of carbon nanotubes by polysaccharides
Nanoscale, 2012, 4:2584-2589
[5] Xueguang Shao , Guorong Du, Ming Jing, Wensheng Cai
Application of latent projective graph in variable selection for near infrared spectral analysis
Chemometrics and Intelligent Laboratory Systems, 2012, 114:44-49
[6] Yanjun Ma, Ruoshi Bai, Guorong Du, Li Ma, Aijun He, Na Li, Xiaoli Yi, Wensheng Cai, Jun Zhou, Xueguang Shao
Rapid determination of four tobacco specific nitrosamines in burley tobacco by near-infrared spectroscopy
Analytical Methods, 2012, 4 (5):1371-1376
[7] Yu Ning, Wensheng Cai, Xueguang Shao
Simultaneous determination of mercury (II) and silver (I) ions in water by near-infrared spectroscopy with preconcentration by thiol-functionalized polysilsesquioxane microspheres
Chemical Journal of Chinese Universities, 2012, 33 (4):673-677
[8] Yu Ning, Jihui Li, Wensheng Cai, Xueguang Shao
Simultaneous determination of heavy metal ions in water using near-infrared spectroscopy with preconcentration by nano-hydroxyapatite
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2012, 96:289-294
[9] Chunying Gao, Yuanyuan Guo, Jia He, Ming Wu, Yang Liu, Zhongliang Chen, Wensheng Cai, Yanlian Yang , Chen Wang, Xizeng Feng
L-3,4-dihydroxyphenylalanine-collagen modified PDMS surface for controlled cell culture
Journal of Materials Chemistry, 2012, 22(21):10763-10770
[10] Yi Wang, Xiang Ma, Yadong Wen, Jingjing Liu, Wensheng Cai, Xueguang Shao
Discrimination of plant samples using near-infrared spectroscopy with a principal component accumulation method
Analytical Methods, 2012, 4(9):2893-2899
[11] Yafei Yang, Jiarun Tu, Wensheng Cai, Xueguang Shao
Feasibility for quantitative determination of deoxyribonucleic acid by using near-infrared diffuse reflectance spectroscopy
Talanta, 2012, 99: 871-874
[12] Pao Li, Guorong Du, Wensheng Cai, Xueguang Shao
Rapid and nondestructive analysis of pharmaceutical products using near-infrared diffuse reflectance spectroscopy
Journal of Pharmaceutical and Biomedical Analysis, 2012, 70: 288-294
[13] GuoRong Du, Wensheng Cai, Xueguang Shao
A variable differential consensus method for improving the quantitative near-infrared spectroscopic analysis
Science China Chemistry, 2012, 55(9): 1946-1952
[14] Yingzhe Liu, Ming Wu, Xizeng Feng, Xueguang Shao, Wensheng Cai
Adsorption Behavior of Hydrophobin Proteins on Polydimethylsiloxane Substrates
Journal of Physical Chemistry B, 2012, 116(40): 12227-12234
[15] 刘英哲, 蔡文生, 邵学广
疏水蛋白吸附碳纳米管的分子动力学模拟
高等学校化学学报, 2012, 33(9): 2013-2018
[16] 邵学广, 宁宇, 刘凤霞, 李积慧, 蔡文生
近红外光谱在无机微量成分分析中的应用
化学学报, 2012, 70(20): 2109-2114
[17] Peng Liu, François Dehez, Wensheng Cai, and Christophe Chipot
A Toolkit for the Analysis of Free-Energy Perturbation Calculations
Journal of Chemical Theory and Computation, 2012, 8(8): 2606–2616
[18] Peng Liu, Christophe Chipot, Xueguang Shao, and Wensheng Cai
How Do alpha-Cyclodextrins Self-Organize on a Polymer Chain?
Journal of Physical Chemistry C, 2012, 116(33): 17913–17918
[19] Yun-Fang Jia, Chun-Ying Gao, Jia He, Dao-Fu Feng, Ke-Li Xing, Ming Wu, Yang Liu, Wen-Sheng Cai and Xi-Zeng Feng
Unlabeled multi tumor marker detection system based on bioinitiated light addressable potentiometric sensor
Analyst, 2012, 137: 3806-3813