An improved weighted multiplicative scatter correction algorithm with the use of variable selection: Application to near-infrared spectra

Chemometrics and Intelligent Laboratory Systems - Tập 185 - Trang 114-121 - 2019
Yifan Wu1,2, Silong Peng1,2, Qiong Xie1, Quanjie Han1,2, Genwei Zhang3, Haigang Sun4
1Institute of Automation, Chinese Academy of Sciences, 100190, Beijing, China
2University of Chinese Academy of Sciences, 100190 Beijing, China
3State Key Laboratory of NBC Protection for Civilian, Beijing 102205, China
4GWDC Mud Logging Company, CNPC, 124010, Panjin, China

Tài liệu tham khảo

dos Santos, 2017, A review on the application of vibrational spectroscopy in the wine industry: from soil to bottle, Trac. Trends Anal. Chem., 88, 100, 10.1016/j.trac.2016.12.012 De, 2012, Critical review of near-infrared spectroscopic methods validations in pharmaceutical applications, J. Pharmaceut. Biomed. Anal., 69, 125 Wold, 2001, Pls-regression: a basic tool of chemometrics, Chemometr. Intell. Lab. Syst., 58, 109, 10.1016/S0169-7439(01)00155-1 Geladi, 1985, Linearization and scatter-correction for near-infrared reflectance spectra of meat, Appl. Spectrosc., 39, 491, 10.1366/0003702854248656 Barnes, 1989, Standard normal variate transformation and de-trending of near-infrared diffuse reflectance spectra, Appl. Spectrosc., 43, 772, 10.1366/0003702894202201 Martens, 1991, Extended multiplicative signal correction and spectral interference subtraction: new preprocessing methods for near infrared spectroscopy, J. Pharmaceut. Biomed. Anal., 9, 625, 10.1016/0731-7085(91)80188-F Martens, 2003, Light scattering and light absorbance separated by extended multiplicative signal correction. application to near-infrared transmission analysis of powder mixtures, Anal. Chem., 75, 394, 10.1021/ac020194w Helland, 1995, Related versions of the multiplicative scatter correction method for preprocessing spectroscopic data, Chemometr. Intell. Lab. Syst., 29, 233, 10.1016/0169-7439(95)80098-T Pedersen, 2002, Near-infrared absorption and scattering separated by extended inverted signal correction (eisc): analysis of near-infrared transmittance spectra of single wheat seeds, Appl. Spectrosc., 56, 1206, 10.1366/000370202760295467 Afseth, 2012, Extended multiplicative signal correction in vibrational spectroscopy, a tutorial, Chemometr. Intell. Lab. Syst., 117, 92, 10.1016/j.chemolab.2012.03.004 Chen, 2006, Extracting chemical information from spectral data with multiplicative light scattering effects by optical path-length estimation and correction, Anal. Chem., 78, 7674, 10.1021/ac0610255 Bi, 2014, Interference correction by extracting the information of interference dominant regions: application to near-infrared spectra, Spectrochim. Acta Mol. Biomol. Spectrosc., 129, 542, 10.1016/j.saa.2014.03.080 Gallagher, 2005, Application of extended inverse scatter correction to mid-infrared reflectance spectra of soil, J. Chemometr., 19, 271, 10.1002/cem.929 Shi, 2013, An adaptive wavelength interval selection by modified particle swarm optimization algorithm: simultaneous spectral or differential pulse voltammetric determination of multiple components with overlapping peaks, J. Anal. Chem., 68, 630, 10.1134/S1061934813070113 Cernuda, 2014, Enhanced genetic operators design for waveband selection in multivariate calibration based on nir spectroscopy, J. Chemometr., 28, 123, 10.1002/cem.2583 Allegrini, 2011, A new and efficient variable selection algorithm based on ant colony optimization. applications to near infrared spectroscopy/partial least-squares analysis, Anal. Chim. Acta, 699, 18, 10.1016/j.aca.2011.04.061 Deng, 2015, Model population analysis in chemometrics, Chemometr. Intell. Lab. Syst., 149, 166, 10.1016/j.chemolab.2015.08.018 Deng, 2016, A bootstrapping soft shrinkage approach for variable selection in chemical modeling, Anal. Chim. Acta, 908, 63, 10.1016/j.aca.2016.01.001 Song, 2016, A novel algorithm for spectral interval combination optimization, Anal. Chim. Acta, 948, 19, 10.1016/j.aca.2016.10.041 Deng, 2014, A novel variable selection approach that iteratively optimizes variable space using weighted binary matrix sampling, Analyst, 139, 4836, 10.1039/C4AN00730A Li, 2009, Key wavelengths screening using competitive adaptive reweighted sampling method for multivariate calibration, Anal. Chim. Acta, 648, 77, 10.1016/j.aca.2009.06.046 Barbe, 2012, vol. 98 Borggaard, 1992, Optimal minimal neural interpretation of spectra, Anal. Chem., 64, 545, 10.1021/ac00029a018 Sdteponavicius, 2011, Extraction of chemical information of suspensions using radiative transfer theory to remove multiple scattering effects: application to a model multicomponent system, Anal. Chem., 83, 1931, 10.1021/ac1024073 Kennard, 1969, Computer aided design of experiments, Technometrics, 11, 137, 10.1080/00401706.1969.10490666 Haaland, 1988, Partial least-squares methods for spectral analyses. 1. relation to other quantitative calibration methods and the extraction of quantitative information, Anal. Chem., 60, 1193, 10.1021/ac00162a020 Deng, 2015, A new method for wavelength interval selection that intelligently optimizes the locations, widths and combinations of the intervals, Analyst, 140, 1876, 10.1039/C4AN02123A Lee, 2012, Reproducibility, complementary measure of predictability for robustness improvement of multivariate calibration models via variable selections, Anal. Chim. Acta, 757, 11, 10.1016/j.aca.2012.10.025