2017

[303]

Cuicui Wang, Shuyu Wang, Wensheng Cai, Xueguang Shao

 

Silver mirror for enhancing the detection ability of near–infrared diffuse reflectance spectroscopy

 

Talanta, 2017, 162(): 123–129

[304]

 Mengli Fan, Xiuwei Liu, Xiaoming Yu, Xiaoyu Cui, Wensheng Cai, Xueguang Shao

 

 Near-infrared spectroscopy and chemometric modelling for rapid diagnosis of kidney disease

 

 Science China - Chemistry, 2017, 60(2): 299-304

[305]

Xiaoyu Cui, Xiuwei Liu, Xiaoming Yu, Wensheng Cai, Xueguang Shao

 

Water can be a probe for sensing glucose in aqueous solutions by temperature dependent near infrared spectra

 

Analytica Chimica Acta, 2017, 957: 47-54

[306]

Mengli Fan, Wensheng Cai, Xueguang Shao

 

Investigating the structural change in protein aqueous solution using temperature-dependent near-infrared spectroscopy and continuous wavelet transform

 

Applied Spectroscopy, 2017, 71(3): 472-479

[307]

Tanfeng Zhao, Haohao Fu, Tony Lehievre, Xueguang Shao, Christophe Chipot, Wensheng Cai

 

The Extended Generalized Adaptive Biasing Force Algorithm for Multidimensional Free-Energy Calculations

 

Journal of Chemical Theory and Computation, 2017, 13(4): 1566-1576

[308]

Ganghui Chu, Wensheng Cai, Xueguang Shao

 

 

Determination of bovine hemoglobin by near-infrared diffuse reflectance spectroscopy with novel adsorption preconcentration

 

 

Analytical Letters, 2017, 50(7): 1196-1208

 

[309]

Haohao Fu, Xueguang Shao, Christophe Chipot, Wensheng Cai

 

 

The lubricating role of water in the shuttling of rotaxanes

 

 

Chemical Science, 2017, 8(7): 5087-5094

 

[310]

Xiu-Wei Liu, Xiao-Yu Cui, Xiao-Ming Yu, Wen-Sheng Cai, Xue-Guang Shao

 

 

Understanding the thermal stability of human serum proteins with the related near-infrared spectral variables selected by Monte Carlo - uninformative variable elimination

 

 

Chinese Chemical Letters, 2017, 28: 1447-1452 

 

[311]

Jin Zhang, Wensheng Cai, Xueguang Shao

 

 

New algorithms for calibration transfer in near infrared spectroscopy

 

 

Progress in Chemistry, 2017, 29(8): 902-910

 

[312]

Wang Cuicui, Yu Xiaoming, Cai Wensheng, Shao Xueguang

 

 

Determination of Serum Urea by Near-infrared Diffuse Reflectance Spectroscopy Using Silver Mirror for Enhancing the Detectability

 

 

Chemical Journal of Chinese Universities-Chinese, 2017, 38(11): 1947-1952

 

[313]

Xiaoyu Cui, Jin Zhang, Wensheng Cai, Xueguang Shao

 

 

Chemometric algorithms for analyzing high dimensional temperature dependent near infrared spectra

 

 

Chemometrics and Intelligent Laboratory Systems, 2017, 170: 109-117

 

[314]

Tanfeng Zhao, Xueguang Shao, Wensheng Cai

 

 

Free-energy landscapes of the coupled conformational transition and inclusion processes of altro-cyclodextrins

 

 

Molecular Simulation 2017, 43(13-16): 977-984

 

[315]

Shuangshuang Wang, Xueguang Shao, Wensheng Cai

 

 

Solvent and structure effects on the shuttling in pillar[5]arene/triazole rotaxanes

 

 

Journal of Physical Chemistry C, 2017, 121(45): 25547-25553

 

[316]

Xueguang Shao, Xiaoyu Cui, Yan Liu, Zhenzhen Xia, Wensheng Cai

 

 

Understanding the molecular interaction in solutions by chemometric resolution of near-infrared spectra

 

 

Chemistry Select, 2017, 2(31): 10027-10032

 

[317]

Fu, H.; Cai, W. S.; Hénin, J.; Roux, B.; Chipot, C.

 

 

New Coarse Variables for the Accurate Determination of Standard Binding Free Energies

 

 

Journal of Chemical Theory and Computation, 2017, 13(11), 5173-5178

 

[318]

Wang, Yan, Cai, Wen-Sheng, Chen, Luonan, Wang, Guanyu

 

 

Molecular dynamics simulation reveals how phosphorylation of tyrosine 26 of phosphoglycerate mutase 1 upregulates glycolysis and promotes tumor growth

 

 

ONCOTARGET 2017, 8(7): 12093~12107