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 |