A Publication List of the Laboratory Since 1995

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2016

[1]

Peng Liu, Xueguang Shao, Christophe Chipot, Wensheng Cai

 

The true nature of rotary movements in rotaxanes

 

Chemical Science, 2016, 7(1) : 457-462

[2]

Qi Lihua, Cai Wensheng, Shao Xueguang

 

Effect of Temperature on Near-infrared Spectra of n-Alkanes

 

Acta Chimica Sinica, 2016, 74 (2) : 172-178

[3]

LI Zheng-Feng, XU Guang-Jin, WANG Jia-Jun, DU Guo-Rong , CAI Wen-Sheng, SHAO Xue-Guang

 

Outlier detection for multivariate calibration in near infrared spectroscopic analysis by model diagnostics

 

Chinese Journal of Analytical Chemistry, 2016, 44(2) : 305 - 309

[4]

Ying Liu, Christophe Chipot, Xueguang Shao, Wensheng Cai

 

How does the solvent modulate shuttling in a pillararene/imidazolium [2] rotaxane? Insights from free energy calculations

 

Journal of Physical Chemistry C, 2016, 120(11): 6287-6293

[5]

Jiajun Wang, Zhengfeng Li, Yi Wang, Yan Liu, Wensheng Cai, Xueguang Shao

 

A dual model strategy to transfer multivariate calibration models for near-infrared spectral analysis

 

Spectroscopy Letters, 2016, 48(5): 348-354

[6]

Cuicui Wang, Wensheng Cai, Xueguang Shao

 

Determination of bilirubin using near infrared diffuse reflectance spectroscopy with selective concentration on beta-cyclodextrin

 

Journal of Near Infrared Spectroscopy, 2016, 24(4): 345-352

[7]

Yan Liu, Wensheng Cai, Xueguang Shao

 

Linear model correction: a method for transferring a near-infrared multivariate calibration model without standard samples

 

Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 2016, 169: 197-201

[8]

Shuangshuang Wang, Tanfeng Zhao, Xueguang Shao, Christophe Chipot, Wensheng Cai

 

Complex movements in rotaxanes: shuttling coupled with conformational transition of cyclodextrins

 

Journal of Physical Chemistry C, 2016, 120(34): 19479-19486

[9]

Haohao Fu, Xueguang Shao, Christophe Chipot, Wensheng Cai

 

Extended adaptive biasing force algorithm. an on-the-fly implementation for accurate free-energy calculations

 

Journal of Chemical Theory and Computation, 2016, 12(8): 3506-3513

[10]

Shen Wen, Shao Xueguang, Cai Wensheng

 

Inclusion mechanism of cyclodextrins with glutathione

 

Chemical Journal of Chinese Universities, 2016, 37(10): 1809-1816

[11]

Ma Xiao-Xu, Wang Cui-Cui, Cai Wen-Sheng, Shao Xue-Guang

 

Quantification of albumin in urine using preconcentration and near-infrared diffuse reflectance spectroscopy

 

Chinese Chemical Letters, 2016, 27(10): 1597-1601

[12]

Xiaoyu Cui, Wensheng Cai, Xueguang Shao

 

Glucose induced variation of water structure from temperature dependent near infrared spectra

 

RSC Advances, 2016, 6(107): 105729-105736

[13]

Zhiyou Zong, Ronglin He, Haohao Fu, Tanfeng Zhao, Shulin Chen, Xueguang Shao, Dongyuan Zhang, Wensheng Cai

 

Pretreating cellulases with hydrophobins for improving bioconversion of cellulose: an experimental and computational study

 

Green Chemistry, 2016, 18(24) : 6666-6674

[14]

Zhang Yi-ting, Wang Cui-cui, Fan Meng-li, Cai Wen-sheng, Shao Xue-guang

 

Quantitative analysis of heavy metal ion based on portable nir spectrometer

 

Spectroscopy and Spectral Analysis, 2016, 36(12): 4100-4104

[15]

Xihui Bian, Shujuan Li, Xueguang Shao, Peng Liu

 

Variable space boosting partial least squares for multivariate calibration of near-infrared spectroscopy

 

Chemometrics and Intelligent Laboratory Systems, 2016, 158(): 174-179

[16]

Cuicui Wang, Wensheng Cai, Xueguang Shao

 

Determination of cysteine using near-infrared diffuse reflectance spectroscopy with enrichment via thiol-maleimide click reaction

 

Chemical Research in Chinese Universities, 2016, 32(6):912-916