Works matching AU Cai, Wensheng

Results: 62

Quantitative analysis of 17 amino acids in tobacco leaves using an amino acid analyzer and chemometric resolution.

Published in:

Journal of Separation Science, 2015, v. 38, n. 12, p. 2053, doi. 10.1002/jssc.201500090

By:

Zeng, Yihang;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Preparation of 4-butylaniline-bonded silica gel for the solid-phase extraction of flavone glycosides.

Published in:

Journal of Separation Science, 2015, v. 38, n. 7, p. 1149, doi. 10.1002/jssc.201400922

By:

Chu, Ganghui;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Rapid discrimination of slimming capsules based on illegal additives by electronic nose and flash gas chromatography.

Published in:

Journal of Separation Science, 2015, v. 38, n. 4, p. 621, doi. 10.1002/jssc.201400941

By:

Xia, Zhenzhen;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Fast determination of ginsenosides in ginseng by high-performance liquid chromatography with chemometric resolution.

Published in:

Journal of Separation Science, 2014, v. 37, n. 16, p. 2126, doi. 10.1002/jssc.201400403

By:

Han, Jing;
Li, Pao;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Rapid analysis of phthalic acid esters in environmental water using fast elution gas chromatography with mass spectrometry and adaptive library spectra.

Published in:

Journal of Separation Science, 2014, v. 37, n. 13, p. 1585, doi. 10.1002/jssc.201400190

By:

Li, Pao;
Mei, Zhen;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Resolving overlapping GC-MS signals with a multistep screening chemometric approach for the fast determination of pesticides.

Published in:

Journal of Separation Science, 2014, v. 37, n. 7, p. 828, doi. 10.1002/jssc.201301268

By:

Wu, Xi;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Chemometric approach for fast analysis of prometryn in human hair by GC-MS.

Published in:

Journal of Separation Science, 2013, v. 36, n. 14, p. 2277, doi. 10.1002/jssc.201300122

By:

Yu, Weiwei;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Resolving Near-Infrared Spectra by Generalized Window Factor Analysis for Understanding Interactions in Aqueous Solution.

Published in:

Analytical Letters, 2023, v. 56, n. 14, p. 2226, doi. 10.1080/00032719.2022.2162914

By:

Wang, Mian;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Experimental and Chemometric Optimization to Enhance the Performance of Near-infrared Diffuse Reflectance Spectroscopy.

Published in:

Analytical Letters, 2018, v. 51, n. 4, p. 537, doi. 10.1080/00032719.2017.1337779

By:

Wang, Cuicui;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Determination of Bovine Hemoglobin by Near-Infrared Diffuse Reflectance Spectroscopy with Novel Adsorption Preconcentration.

Published in:

Analytical Letters, 2017, v. 50, n. 7, p. 1196, doi. 10.1080/00032719.2016.1216124

By:

Chu, Ganghui;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Chemometrics: A Vital Implement for Understanding the Water Structures by Near‐Infrared Spectroscopy.

Published in:

Journal of Chemometrics, 2024, v. 38, n. 12, p. 1, doi. 10.1002/cem.3631

By:

Wang, Haipeng;
Han, Li;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Combination of heuristic optimal partner bands for variable selection in near‐infrared spectral analysis.

Published in:

Journal of Chemometrics, 2018, v. 32, n. 11, p. N.PAG, doi. 10.1002/cem.2971

By:

Zhang, Jin;
Cui, Xiaoyu;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Standard signal extraction for analyzing target analytes in real samples with complex matrices.

Published in:

Journal of Chemometrics, 2015, v. 29, n. 5, p. 300, doi. 10.1002/cem.2697

By:

Li, Pao;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Resolution of multicomponent chromatograms by window factor analysis with wavelet transform preprocessing.

Published in:

Journal of Chemometrics, 1998, v. 12, n. 2, p. 85, doi. 10.1002/(SICI)1099-128X(199803/04)12:2<85::AID-CEM497>3.0.CO;2-0

By:

Shao, Xueguang;
Cai, Wensheng

Publication type:

Article

PGAT-ABPp: harnessing protein language models and graph attention networks for antibacterial peptide identification with remarkable accuracy.

Published in:

Bioinformatics, 2024, v. 40, n. 8, p. 1, doi. 10.1093/bioinformatics/btae497

By:

Hao, Yuelei;
Liu, Xuyang;
Fu, Haohao;
Shao, Xueguang;
Cai, Wensheng

Publication type:

Article

Determination of Extra- and Intra-Cellular pH Using Characteristic Absorption of Water by Near-Infrared Spectroscopy.

Published in:

Chemosensors, 2023, v. 11, n. 8, p. 425, doi. 10.3390/chemosensors11080425

By:

Li, Jiani;
Liang, Fanfan;
Han, Li;
Yu, Xiaoxuan;
Liu, Dingbin;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Wavelet Transform Makes Water an Outstanding Near-Infrared Spectroscopic Probe.

Published in:

Chemosensors, 2023, v. 11, n. 1, p. 37, doi. 10.3390/chemosensors11010037

By:

Wang, Mian;
An, Hongle;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Mechanism and biomass association of glucuronoyl esterase: an α/β hydrolase with potential in biomass conversion.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-28938-w

By:

Zong, Zhiyou;
Mazurkewich, Scott;
Pereira, Caroline S.;
Fu, Haohao;
Cai, Wensheng;
Shao, Xueguang;
Skaf, Munir S.;
Larsbrink, Johan;
Lo Leggio, Leila

Publication type:

Article

SHEF: a vHTS geometrical filter using coefficients of spherical harmonic molecular surfaces.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 5, p. 393, doi. 10.1007/s00894-008-0286-z

By:

Wensheng Cai;
Jiawei Xu;
Xueguang Shao;
Vincent Leroux;
Alexandre Beautrait;
Bernard Maigret

Publication type:

Article

Multiple-step virtual screening using VSM-G: overview and validation of fast geometrical matching enrichment.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 2, p. 135, doi. 10.1007/s00894-007-0257-9

By:

Alexandre Beautrait;
Vincent Leroux;
Matthieu Chavent;
LÃ©o Ghemtio;
Marie-Dominique Devignes;
Malika SmaÃ¯l-Tabbone;
Wensheng Cai;
Xuegang Shao;
Gilles Moreau;
Peter Bladon;
Jianhua Yao;
Bernard Maigret

Publication type:

Article

A Conformational Analysis Method for Understanding the Energy Landscapes of Clusters.

Published in:

ChemPhysChem, 2007, v. 8, n. 4, p. 569, doi. 10.1002/cphc.200600604

By:

Cheng, Longjiu;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Geometry Optimization and Conformational Analysis of (C60)N Clusters Using a Dynamic Lattice-Searching Method.

Published in:

ChemPhysChem, 2005, v. 6, n. 2, p. 261, doi. 10.1002/cphc.200400425

By:

Longjiu Cheng;
Wensheng Cai;
Xueguang Shao

Publication type:

Article

Understanding the Molecular Interaction in Solutions by Chemometric Resolution of Near−Infrared Spectra.

Published in:

ChemistrySelect, 2017, v. 2, n. 31, p. 10027, doi. 10.1002/slct.201700939

By:

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

Publication type:

Article

Avoiding non-equilibrium effects in adaptive biasing force calculations.

Published in:

Molecular Simulation, 2021, v. 47, n. 5, p. 390, doi. 10.1080/08927022.2020.1775222

By:

Miao, Mengyao;
Fu, Haohao;
Zhang, Hong;
Shao, Xueguang;
Chipot, Christophe;
Cai, Wensheng

Publication type:

Article

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

Published in:

Molecular Simulation, 2017, v. 43, n. 13, p. 977, doi. 10.1080/08927022.2017.1297533

By:

Tanfeng Zhao;
Xueguang Shao;
Wensheng Cai

Publication type:

Article

Rapid Determination of Metabolites in Bio-fluid Samples by Raman Spectroscopy and Optimum Combinations of Chemometric Methods.

Published in:

Chinese Journal of Chemistry, 2011, v. 29, n. 11, p. 2525, doi. 10.1002/cjoc.201180425

By:

Bian, Xihui;
Chen, Da;
Cai, Wensheng;
Grant, Edward;
Shao, Xueguang

Publication type:

Article

Quantitative Analysis of Chromium(VI) in Dilute Solution by Using Adsorption and Diffuse Reflectance Near-infrared Spectroscopy.

Published in:

Chinese Journal of Chemistry, 2010, v. 28, n. 10, p. 2009, doi. 10.1002/cjoc.201090335

By:

Shao, Xueguang;
Chen, Nan;
Cai, Wensheng

Publication type:

Article

Improving the Robustness and Stability of Partial Least Squares Regression for Near-infrared Spectral Analysis.

Published in:

Chinese Journal of Chemistry, 2009, v. 27, n. 7, p. 1328, doi. 10.1002/cjoc.200990222

By:

SHAO, Xueguang;
CHEN, Da;
XU, Heng;
LIU, Zhichao;
CAI, Wensheng

Publication type:

Article

New approach for representation of molecular surface.

Published in:

Journal of Computational Chemistry, 1998, v. 19, n. 16, p. 1805, doi. 10.1002/(SICI)1096-987X(199812)19:16<1805::AID-JCC2>3.0.CO;2-P

By:

Cai, Wensheng;
Zhang, Maosen;
Maigret, Bernard

Publication type:

Article

Simultaneous Identification and Quantitative Determination of Amino Acids in Mixture by NMR Spectroscopy Using Chemometric Resolution.

Published in:

Spectroscopy Letters, 2011, v. 44, n. 4, p. 244, doi. 10.1080/00387010.2010.509881

By:

Shao, Xueguang;
Miao, Lingni;
Liu, Zhichao;
Liu, Huili;
Cai, Wensheng

Publication type:

Article

Uncertainty and the predictability of stock returns.

Published in:

Journal of Forecasting, 2022, v. 41, n. 4, p. 765, doi. 10.1002/for.2832

By:

Cai, Wensheng;
Pan, Zhiyuan;
Wang, Yudong

Publication type:

Article

Enhancing Transferability of Near-Infrared Spectral Models for Soluble Solids Content Prediction across Different Fruits.

Published in:

Applied Sciences (2076-3417), 2023, v. 13, n. 9, p. 5417, doi. 10.3390/app13095417

By:

Guo, Cheng;
Zhang, Jin;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Computer-Assisted Rational Modifications to Improve the Thermostability of β-Glucosidase from Penicillium piceum H16.

Published in:

BioEnergy Research, 2015, v. 8, n. 3, p. 1384, doi. 10.1007/s12155-015-9603-4

By:

Zong, Zhiyou;
Gao, Le;
Cai, Wensheng;
Yu, Liang;
Cui, Chao;
Chen, Shulin;
Zhang, Dongyuan

Publication type:

Article

Accurate determination of protein:ligand standard binding free energies from molecular dynamics simulations.

Published in:

Nature Protocols, 2022, v. 17, n. 4, p. 1114, doi. 10.1038/s41596-021-00676-1

By:

Fu, Haohao;
Chen, Haochuan;
Blazhynska, Marharyta;
Goulard Coderc de Lacam, Emma;
Szczepaniak, Florence;
Pavlova, Anna;
Shao, Xueguang;
Gumbart, James C.;
Dehez, François;
Roux, Benoît;
Cai, Wensheng;
Chipot, Christophe

Publication type:

Article

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

Published in:

Spectroscopy Letters, 2016, v. 49, n. 5, p. 348, doi. 10.1080/00387010.2016.1167087

By:

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

Publication type:

Article

An adaptive strategy for selecting representative calibration samples in the continuous wavelet domain for near-infrared spectral analysis.

Published in:

Analytical & Bioanalytical Chemistry, 2007, v. 387, n. 3, p. 1041, doi. 10.1007/s00216-006-0967-3

By:

Da Chen;
Wensheng Cai;
Xueguang Shao

Publication type:

Article

Impact of different potentials on the structures and energies of clusters.

Published in:

Journal of Computational Chemistry, 2011, v. 32, n. 14, p. 3075, doi. 10.1002/jcc.21891

By:

Ma, Zhinan;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Optimization of bimetallic Cu–Au and Ag–Au clusters by using a modified adaptive immune optimization algorithm.

Published in:

Journal of Computational Chemistry, 2009, v. 30, n. 13, p. 1992, doi. 10.1002/jcc.21197

By:

XIA WU;
WENSHENG CAI;
XUEGUANG SHAO

Publication type:

Article

A dynamic lattice searching method with interior operation for unbiased optimization of large Lennard-Jones clusters.

Published in:

Journal of Computational Chemistry, 2008, v. 29, n. 11, p. 1772, doi. 10.1002/jcc.20938

By:

Xueguang Shao;
Xiaoli Yang;
Wensheng Cai

Publication type:

Article

A dynamic lattice searching method with constructed core for optimization of large lennard-jones clusters.

Published in:

Journal of Computational Chemistry, 2007, v. 28, n. 8, p. 1427, doi. 10.1002/jcc.20668

By:

Xiaoli Yang;
Wensheng Cai;
Xueguang Shao

Publication type:

Article

A dynamic lattice searching method for fast optimization of Lennard-Jones clusters.

Published in:

Journal of Computational Chemistry, 2004, v. 25, n. 14, p. 1693, doi. 10.1002/jcc.20096

By:

Shao, Xueguang;
Cheng, Longjiu;
Cai, Wensheng

Publication type:

Article

A fast annealing evolutionary algorithm for global optimization.

Published in:

Journal of Computational Chemistry, 2002, v. 23, n. 4, p. 427, doi. 10.1002/jcc.10029

By:

Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

Development and clinical application of a rapid IgM‐IgG combined antibody test for SARS‐CoV‐2 infection diagnosis.

Published in:

Journal of Medical Virology, 2020, v. 92, n. 9, p. 1518, doi. 10.1002/jmv.25727

By:

Li, Zhengtu;
Yi, Yongxiang;
Luo, Xiaomei;
Xiong, Nian;
Liu, Yang;
Li, Shaoqiang;
Sun, Ruilin;
Wang, Yanqun;
Hu, Bicheng;
Chen, Wei;
Zhang, Yongchen;
Wang, Jing;
Huang, Baofu;
Lin, Ye;
Yang, Jiasheng;
Cai, Wensheng;
Wang, Xuefeng;
Cheng, Jing;
Chen, Zhiqiang;
Sun, Kangjun

Publication type:

Article

Application of the wavelet transform method in quantitative analysis of Raman spectra.

Published in:

Journal of Raman Spectroscopy, 2001, v. 32, n. 3, p. 207, doi. 10.1002/jrs.688

By:

Cai, Wensheng;
Wang, Liya;
Pan, Zhongxiao;
Zuo, Jian;
Xu, Cunyi;
Shao, Xueguang

Publication type:

Article

Preparation of a Pyrazosulfuron-Ethyl Imprinted Polymer with Hydrophilic External Layers by Reversible Addition-Fragmentation Chain Transfer Precipitation and Grafting Polymerization.

Published in:

Analytical Letters, 2011, v. 44, n. 16, p. 2617, doi. 10.1080/00032719.2011.553007

By:

Yang, Lixia;
Fan, Zhijin;
Wang, Teng;
Cai, Wensheng;
Yang, Meixian;
Jiang, Ping;
Zhang, Min;
Dong, Xiangchao

Publication type:

Article

Quantitative Determination of the Components in Corn and Tobacco Samples by Using Near-Infrared Spectroscopy and Multiblock Partial Least Squares.

Published in:

Analytical Letters, 2010, v. 43, n. 12, p. 1910, doi. 10.1080/00032711003686973

By:

Jing, Ming;
Cai, Wensheng;
Shao, Xueguang

Publication type:

Article

A Partial Least Squares‐Based Consensus Regression Method for the Analysis of Near‐Infrared Complex Spectral Data of Plant Samples.

Published in:

Analytical Letters, 2006, v. 39, n. 9, p. 2073, doi. 10.1080/00032710600724088

By:

Su, Zhenqiang;
Tong, Weida;
Shi, Leming;
Shao, Xueguang;
Cai, Wensheng

Publication type:

Article

Resolution of Overlapping Chromatographic Peaks Using a Genetic Algorithm.

Published in:

Analytical Letters, 2000, v. 33, n. 2, p. 373, doi. 10.1080/00032710008543059

By:

Cai, Wensheng;
Yu, Fang;
Shao, Xueguang;
Pan, Zhongxiao

Publication type:

Article

A Wavelet-Based Genetic Algorithm for Compression and De-Noising of Chromatograms.

Published in:

Analytical Letters, 1999, v. 32, n. 9, p. 1899, doi. 10.1080/00032719908542941

By:

Shao, Xueguang;
Yu, Fang;
Kou, Hongbing;
Cai, Wensheng;
Pan, Zhongxiao

Publication type:

Article

A Novel Algorithm of the Wavelet Packets Transform and its Application to DE-Noising of Analytical Signals.

Published in:

Analytical Letters, 1999, v. 32, n. 4, p. 743, doi. 10.1080/00032719908542853

By:

Shao, Xueguang;
Cai, Wensheng

Publication type:

Article