Peng Liu, Xueguang Shao, Christophe Chipot, Wensheng Cai



The true nature of rotary movements in rotaxanes



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



Qi Lihua, Cai Wensheng, Shao Xueguang



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



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



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



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



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



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



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



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


Shen Wen, Shao Xueguang, Cai Wensheng



Inclusion mechanism of cyclodextrins with glutathione



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



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



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



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




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



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