Multivariate curve resolution alternating least square (MCR-ALS) analysis on total synchronous fluorescence spectroscopy (TSFS) data sets: Comparing certain ways of arranging TSFS-based three-way array
作者： Keshav Kumar , Ashok Kumar Mishra
DOI: 10.1016/J.CHEMOLAB.2015.08.007
关键词: Data set 、 Bilinear interpolation 、 Excitation 、 Biological system 、 Combinatorics 、 Spectroscopy 、 Offset (computer science) 、 Synchronous fluorescence 、 Multivariate curve resolution 、 Complex data type 、 Mathematics
摘要: Abstract Total synchronous fluorescence spectroscopy (TSFS)-based three-way array sample × excitation wavelength × Δλ has inherently complex data structure. Multivariate curve resolution alternating least square (MCR-ALS) analysis is a soft mathematical modelling technique that can be used to retrieve pure spectral and contribution profile of the fluorophores multifluorophoric mixture provided it applied bilinear sets. In present work, possibilities generating two-way arrays by (i) unfolding (ii) augmenting TSFS-based were studied. Bilinear characteristics obtained tested subjecting them MCR-ALS analysis. It was found lack analytical–mathematical relationship between along excitation wavelength mode offset do not allow application on augmented TSFS set. Moreover, augmentation procedure chemical-mathematical rank subsequently sets ‘not independent’ each other. Two-way sample × (excitation wavelength × Δλ) sample have symmetrical structure, i.e., both equal chemical making highly attuned
elsevier.com
sci-hub.se 参考文章(44)
Tuan Vo-Dinh, Multicomponent analysis by synchronous luminescence spectrometry Analytical Chemistry. ,vol. 50, pp. 396- 401 ,(1978) , 10.1021/AC50025A010
Radu Constantin Groza, Amandine Calvet, Alan G. Ryder, A fluorescence anisotropy method for measuring protein concentration in complex cell culture media Analytica Chimica Acta. ,vol. 821, pp. 54- 61 ,(2014) , 10.1016/J.ACA.2014.03.007
Golnar Ahmadi, Roma Tauler, Hamid Abdollahi, Multivariate calibration of first-order data with the correlation constrained MCR-ALS method Chemometrics and Intelligent Laboratory Systems. ,vol. 142, pp. 143- 150 ,(2015) , 10.1016/J.CHEMOLAB.2014.11.010
Romà Tauler, Damià Barceló, Multivariate curve resolution applied to liquid chromatography—diode array detection Trends in Analytical Chemistry. ,vol. 12, pp. 319- 327 ,(1993) , 10.1016/0165-9936(93)88015-W
Keshav Kumar, Ashok Kumar Mishra, Analysis of dilute aqueous multifluorophoric mixtures using excitation–emission matrix fluorescence (EEMF) and total synchronous fluorescence (TSF) spectroscopy: A comparative evaluation Talanta. ,vol. 117, pp. 209- 220 ,(2013) , 10.1016/J.TALANTA.2013.09.002
J. Saurina, C. Leal, R. Compañó, M. Granados, R. Tauler, M.D. Prat, Determination of triphenyltin in sea-water by excitation–emission matrix fluorescence and multivariate curve resolution Analytica Chimica Acta. ,vol. 409, pp. 237- 245 ,(2000) , 10.1016/S0003-2670(99)00848-X
Roma. Tauler, Bruce. Kowalski, Sydney. Fleming, Multivariate curve resolution applied to spectral data from multiple runs of an industrial process Analytical Chemistry. ,vol. 65, pp. 2040- 2047 ,(1993) , 10.1021/AC00063A019
M. Garrido, F. X. Rius, M. S. Larrechi, Multivariate curve resolution–alternating least squares (MCR-ALS) applied to spectroscopic data from monitoring chemical reactions processes Analytical and Bioanalytical Chemistry. ,vol. 390, pp. 2059- 2066 ,(2008) , 10.1007/S00216-008-1955-6
Nicolás Spegazzini, Itziar Ruisánchez, M. Soledad Larrechi, MCR–ALS for sequential estimation of FTIR–ATR spectra to resolve a curing process using global phase angle convergence criterion Analytica Chimica Acta. ,vol. 642, pp. 155- 162 ,(2009) , 10.1016/J.ACA.2009.02.037
R. G. D. Steel, J. H. Torrie, Principles and procedures of statistics. Principles and procedures of statistics.. ,(1960)