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南开大学化学系
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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 and Wensheng Cai

 

Multivariate calibration of near-infrared spectra by using influential variables

 

Analytical Methods, 2012, 4:467-473

doi: 10.1039/C2AY05609G

[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

doi: 10.1021/jp2114169

[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

doi: 10.1021/la300311v

[4]

Yingzhe Liu, Christophe Chipot, Xueguang Shao, Wensheng Cai

 

Edge effects control helical wrapping of carbon nanotubes by polysaccharides

 

Nanoscale, 2012, 4:2584-2589

doi: 10.1039/C2NR11979J

[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

doi: 10.1016/j.chemolab.2012.03.003

[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

doi: 10.1039/C2AY25038A

[7]

宁宇, 蔡文生, 邵学广

 

巯基微球富集用于近红外光谱同时定量分析微量汞(II)和银(I)离子

 

高等学校化学学报, 2012, 33 (4):673-677

doi: 10.3969/j.issn.0251-0790.2012.04.006

[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

doi: 10.1016/j.saa.2012.05.034

[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

doi: 10.1039/c2jm00104g

[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

doi: 10.1039/C2AY25508A

[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

doi: 10.1016/j.talanta.2012.07.049

[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

doi: 10.1016/j.jpba.2012.07.013

[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

doi: 10.1007/s11426-011-4475-8

[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

doi: 10.1021/jp304796p

[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

doi: 10.3969/j.issn.0251-0790.2012.09.024

[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

doi: 10.6023/A12080570

[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

doi: 10.1021/ct300242f

[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

doi: 10.1021/jp304035q

[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

doi: 10.1039/C2AN35188A