Article
Spectroscopy
Gerard Dumancas, Indra Adrianto
Summary: This study developed a stacked regression ensemble approach using near infrared spectroscopic method for accurate determination of biomass compositional analyses. The performance of various machine learning techniques was compared, and the stacked regression outperformed other methods, providing a more accurate prediction of biomass compositions.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Food Science & Technology
Lei-Ming Yuan, Lifan You, Xiaofeng Yang, Xiaojing Chen, Guangzao Huang, Xi Chen, Wen Shi, Yiye Sun
Summary: A strategy of fusing consensus models based on the genetic algorithm was proposed to measure the soluble solids content in peaches. The consensus models achieved better performance in predicting the SSC of peaches compared to traditional optimized models.
Article
Agriculture, Dairy & Animal Science
Fang-Li Qin, Xin-Chun Wang, Si-Ran Ding, Guang-Sheng Li, Zhuo-Cheng Hou
Summary: This study successfully developed a fast method for measuring the fat content of Peking duck using near-infrared spectroscopy, which demonstrated good predictive abilities.
Article
Engineering, Chemical
Abdoulah Ly, Ines Esma Achouri, Ryan Gosselin, Nicolas Abatzoglou
Summary: This study converted a lab-scale fluidized bed dryer into a fluidized bed foam granulator and dryer, developed a partial least squares regression model for monitoring granules water content, and provided sufficient evidence of the feasibility of the fluidized bed foam granulation process.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Food Science & Technology
Xinxin Zhang, Shangke Li, Yang Shan, Pao Li, Liwen Jiang, Xia Liu, Wei Fan
Summary: This study uses a near-infrared diffuse reflectance spectroscopy system to accurately determine the soluble solids content of citrus without causing damage. The results show that the NIRDRS light can penetrate the thick peel to some extent, and the selection of specific characteristic variables can improve the accuracy of the quantitative analysis models with fewer variables.
JOURNAL OF FOOD PROCESSING AND PRESERVATION
(2022)
Article
Environmental Sciences
Guo Jiang, Xi Chen, Jinlin Wang, Shanshan Wang, Shuguang Zhou, Yong Bai, Tao Liao, He Yang, Kai Ma, Xianglian Fan
Summary: Rock geochemical methods are time-consuming and costly. This study explores the potential of using visible-near-infrared spectroscopy to estimate metal element content in rocks. Several factors were investigated including spectral resolution, preprocessing, band indices, and characteristic band selection. The results show that using band indices can provide a more accurate estimation of metal element content, providing a new technical method for efficient acquisition of regional mineralization indicator element content distribution.
Article
Chemistry, Applied
Ulisses F. Oliveira, Annanda M. Costa, Jussara Roque, Wilson Cardoso, Sergio Y. Motoike, Marcio H. P. Barbosa, Reinaldo F. Teofilo
Summary: A method for early quantification of unripe macaw fruits oil content using near-infrared spectroscopy and partial least squares was proposed, which could accurately predict the oil content within 30 days after fruit harvest, thus reducing the costs of quality control and storage for macaw palm.
Article
Chemistry, Multidisciplinary
Liwei Zhu, Rebecca Njeri Damaris, Yong Lv, Qianxi Du, Taoxiong Shi, Jiao Deng, Qingfu Chen
Summary: This article introduces a model established using near-infrared reflectance spectroscopy combined with quantitative partial least squares method to test the content of leucine and tyrosine in Golden Tartary buckwheat leaves, providing important scientific basis for the breeding and processing of Golden Tartary buckwheat.
APPLIED SCIENCES-BASEL
(2022)
Article
Spectroscopy
Maogang Li, Yaozhou Feng, Yan Yu, Tianlong Zhang, Chunhua Yan, Hongsheng Tang, Qinglin Sheng, Hua Li
Summary: Infrared spectroscopy combined with partial least squares (PLS) can be used for quantitative analysis of PAHs in soil, but variable selection methods are needed to extract effective information and improve predictive performance. The siPLS-GA calibration model was used in this study to extract feature variables, showing a low RMSE and high R-2, with excellent predictive performance demonstrated in external validation.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Biochemical Research Methods
Ruoyu Tang, Xinyu He, Ruiqi Wang
Summary: The study presents a general computational method for constructing maps between different cell fates and parametric conditions by systematic perturbations. The method does not require accurate parameter measurements or bifurcations. The maps obtained can help in understanding how systematic perturbations drive cell fate decisions and transitions, providing valuable information for predicting and controlling cell states.
Article
Food Science & Technology
Ya Chen, Yaoxiang Li, Roger A. Williams, Zheyu Zhang, Rundong Peng, Xiaoli Liu, Tao Xing
Summary: This study developed a rapid method for detecting the properties of packaged blueberries using near-infrared spectroscopy. Various preprocessing and optimization techniques were used to establish prediction models for the soluble solid content. Combining BP neural network and PLS algorithm improved the prediction accuracy for PE-packaged blueberries.
JOURNAL OF FOOD SCIENCE
(2023)
Article
Spectroscopy
Yong Hao, Yuanhang Lu, Xiyan Li
Summary: In this study, a stability monitor model was established using the multivariate statistical process control (MSPC) method, and a mixed modeling approach combining robust regression (Rob-Reg) and partial least squares regression (PLSR) was employed to eliminate the variability influence of sample and instrument states. The results showed that MSPC effectively monitored the consistency of the same batch samples measured at different times or different batches, and the Rob-Reg method outperformed the PLSR method in predicting the different batches of samples.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Agronomy
Puneet Mishra, Ernst Woltering, Bastiaan Brouwer, Esther Hogeveen-van Echtelt
Summary: Combining variable selection and model updating with recalibration approaches significantly improved the predictive models for quality parameters of pear fruit. Variable selection reduced bias and enhanced accuracy compared to standard partial least-squares regression.
POSTHARVEST BIOLOGY AND TECHNOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Claudia Scappaticci, Stella Spera, Alessandra Biancolillo, Federico Marini
Summary: In this study, a fast and environmentally friendly analytical strategy using near-infrared spectroscopy and chemometrics was developed to identify and quantify the addition of a drug in alcoholic drinks. The approach showed high accuracy in detecting the presence of the drug and quantifying its concentration.
Article
Chemistry, Physical
Peng Li, Junchao Ma, Nan Zhong
Summary: This study attempted to determine the storage time and freshness of salmon fillets using Fourier transform near-infrared (FT-NIR) spectroscopy and advanced variable selection methods. The results showed that the prediction models based on variable selection methods exhibited good performance in predicting the freshness of salmon fillets stored at different temperatures.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Analytical
Ganghui Chu, Wensheng Cai, Xueguang Shao
ANALYTICAL LETTERS
(2017)
Article
Chemistry, Applied
Cuicui Wang, Wensheng Cai, Xueguang Shao
JOURNAL OF NEAR INFRARED SPECTROSCOPY
(2016)
Article
Chemistry, Physical
Ying Liu, Christophe Chipot, Xueguang Shao, Wensheng Cai
JOURNAL OF PHYSICAL CHEMISTRY C
(2016)
Article
Chemistry, Physical
Shuangshuang Wang, Tanfeng Zhao, Xueguang Shao, Christophe Chipot, Wensheng Cai
JOURNAL OF PHYSICAL CHEMISTRY C
(2016)
Article
Chemistry, Multidisciplinary
Mengli Fan, Xiuwei Liu, Xiaoming Yu, Xiaoyu Cui, Wensheng Cai, Xueguang Shao
SCIENCE CHINA-CHEMISTRY
(2017)
Article
Chemistry, Physical
Tanfeng Zhao, Haohao Fu, Tony Lehievre, Xueguang Shao, Christophe Chipot, Wensheng Cai
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2017)
Article
Chemistry, Physical
Tanfeng Zhao, Xueguang Shao, Wensheng Cai
MOLECULAR SIMULATION
(2017)
Article
Chemistry, Analytical
Cuicui Wang, Shuyu Wang, Wensheng Cai, Xueguang Shao
Article
Chemistry, Multidisciplinary
Haohao Fu, Xueguang Shao, Christophe Chipot, Wensheng Cai
Review
Chemistry, Analytical
Mian Wang, Hongle An, Wensheng Cai, Xueguang Shao
Summary: Wavelet transform (WT) is a powerful chemometric method for processing analytical data. This review summarizes the application of WT in processing near-infrared (NIR) spectrum, with a focus on the structural analysis of water in aqueous systems. By utilizing the advantages of WT in resolution enhancement and the sensitivity of NIR spectroscopy for water, the spectral features of different water structures can be obtained, making water a potential NIR spectroscopic probe for detecting structural information. The spectral changes of the NIR spectrum with temperature were found to reflect the structural changes of biomolecules or polymers in analyzing systems.
Article
Chemistry, Multidisciplinary
Cheng Guo, Jin Zhang, Wensheng Cai, Xueguang Shao
Summary: This study investigates the transferability of NIR models between different fruits using two case studies. A model for predicting strawberry soluble solids content (SSC) was established with acceptable accuracy, but directly applying this model to grape and apple spectra led to degraded performance. Spectral preprocessing improved predictions, but bias remained. Calibration transfer using SS-PFCE and PLS correction was found to effectively improve the prediction of grape and apple spectra. Therefore, calibration transfer may be a feasible way to improve the transferability of NIR models for multiple fruits.
APPLIED SCIENCES-BASEL
(2023)
Article
Automation & Control Systems
Xiaoyu Cui, Jin Zhang, Wensheng Cai, Xueguang Shao
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2017)
Article
Chemistry, Analytical
Li Pao, Cai Wensheng, Shao Xueguang
CHINESE JOURNAL OF CHROMATOGRAPHY
(2017)
Article
Chemistry, Multidisciplinary
Xiu-Wei Liu, Xiao-Yu Cui, Xiao-Ming Yu, Wen-Sheng Cai, Xue-Guang Shao
CHINESE CHEMICAL LETTERS
(2017)
Article
Chemistry, Analytical
Xiaoyu Cui, Xiuwei Liu, Xiaoming Yu, Wensheng Cai, Xueguang Shao
ANALYTICA CHIMICA ACTA
(2017)
Article
Automation & Control Systems
Haifei Peng, Jian Long, Cheng Huang, Shibo Wei, Zhencheng Ye
Summary: This paper proposes a novel multi-modal hybrid modeling strategy (GMVAE-STA) that can effectively extract deep multi-modal representations and complex spatial and temporal relationships, and applies it to industrial process prediction.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2024)