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


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


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


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


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