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


 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


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


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


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


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



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



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 



Jin Zhang, Wensheng Cai, Xueguang Shao



New algorithms for calibration transfer in near infrared spectroscopy



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



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



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



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



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



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



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



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