Multivariate curve resolution: a review of advanced and tailored applications and challenges.

[1]  G. G. Stokes.  "J." , 1890, The New Yale Book of Quotations.

[2]  E. A. Sylvestre,et al.  Self Modeling Curve Resolution , 1971 .

[3]  Miss A.O. Penney.  (b) , 1974, The New Yale Book of Quotations.

[4]  Edmund R. Malinowski,et al.  Factor Analysis in Chemistry , 1980 .

[5]  Daniel J. Alpert,et al.  Fantasia - A program for target transformation factor analysis to apportion sources in environmental samples , 1983, Comput. Chem..

[6]  Bruce R. Kowalski,et al.  An extension of the multivariate component-resolution method to three components , 1985 .

[7]  M. Maeder.  Evolving factor analysis for the resolution of overlapping chromatographic peaks , 1987 .

[8]  W. Windig,et al.  Self-modeling mixture analysis of second-derivative near-infrared spectral data using the SIMPLISMA approach , 1992 .

[9]  Dominique Bonvin,et al.  On the Rank Deficiency and Rank Augmentation of the Spectral Measurement Matrix , 1996 .

[10]  Bruce R. Kowalski,et al.  Extension of Trilinear Decomposition Method with an Application to the Flow Probe Sensor , 1994 .

[11]  B. Kowalski,et al.  Selectivity, local rank, three‐way data analysis and ambiguity in multivariate curve resolution , 1995 .

[12]  R. Manne.  On the resolution problem in hyphenated chromatography , 1995 .

[13]  R. Tauler.  Multivariate curve resolution applied to second order data , 1995 .

[14]  D. Massart,et al.  Orthogonal projection approach applied to peak purity assessment. , 1996, Analytical chemistry.

[15]  Romà Tauler,et al.  Validation of alternating least-squares multivariate curve resolution for chromatographic resolution and quantitation , 1996 .

[16]  R. Bro.  PARAFAC. Tutorial and applications , 1997 .

[17]  Desire L. Massart,et al.  Resolution of multicomponent overlapped peaks by the orthogonal projection approach, evolving factor analysis and window factor analysis , 1997 .

[18]  Johanna Smeyers-Verbeke,et al.  Handbook of Chemometrics and Qualimetrics: Part A , 1997 .

[19]  Claus A. Andersson,et al.  PARAFAC2—Part II. Modeling chromatographic data with retention time shifts , 1999 .

[20]  Mario Winter,et al.  N-FINDR: an algorithm for fast autonomous spectral end-member determination in hyperspectral data , 1999, Optics & Photonics.

[21]  P. Gemperline,et al.  Computation of the range of feasible solutions in self-modeling curve resolution algorithms. , 1999, Analytical chemistry.

[22]  Peter D. Wentzell,et al.  Maximum likelihood principal component analysis with correlated measurement errors: theoretical and practical considerations , 1999 .

[23]  Miquel Esteban,et al.  Multivariate curve resolution with alternating least squares optimisation: a soft-modelling approach to metal complexation studies by voltammetric techniques , 2000 .

[24]  R. Tauler,et al.  Combining hard- and soft-modelling to solve kinetic problems , 2000 .

[25]  R. Tauler.  Calculation of maximum and minimum band boundaries of feasible solutions for species profiles obtained by multivariate curve resolution , 2001 .

[26]  Andrew G. Glen,et al.  APPL , 2001 .

[27]  R. Tauler,et al.  Multivariate resolution of NMR labile signals by means of hard- and soft-modelling methods , 2003 .

[28]  A. ADoefaa,et al.  ? ? ? ? f ? ? ? ? ? , 2003 .

[29]  Richard A. Harshman,et al.  Shifted factor analysis—Part III: N‐way generalization and application , 2003 .

[30]  R. Harshman,et al.  Shifted factor analysis—Part I: Models and properties , 2003 .

[31]  R. Harshman,et al.  Shifted factor analysis—Part II: Algorithms , 2003 .

[32]  Cyril Ruckebusch,et al.  Multivariate Curve Resolution Methods in Imaging Spectroscopy: Influence of Extraction Methods and Instrumental Perturbations , 2003, J. Chem. Inf. Comput. Sci..

[33]  Romà Tauler,et al.  Chemometrics applied to unravel multicomponent processes and mixtures: Revisiting latest trends in multivariate resolution , 2003 .

[34]  Romà Tauler,et al.  Local rank exploratory analysis of evolving rank-deficient systems , 2004 .

[35]  Romà Tauler,et al.  Multivariate curve resolution applied to the analysis and resolution of two-dimensional [1H,15N] NMR reaction spectra. , 2004, Analytical chemistry.

[36]  Romà Tauler,et al.  Calculation of band boundaries of feasible solutions obtained by Multivariate Curve Resolution–Alternating Least Squares of multiple runs of a reaction monitored by NIR spectroscopy , 2005 .

[37]  José M. Bioucas-Dias,et al.  Vertex component analysis: a fast algorithm to unmix hyperspectral data , 2005, IEEE Transactions on Geoscience and Remote Sensing.

[38]  S. Van Huffel,et al.  On the equivalence between total least squares and maximum likelihood PCA , 2005 .

[39]  Chemometric strategies for the study of the complexation of Al(III) ions with model molecule of humic substances from UV-vis data sets , 2005 .

[40]  Lorenzo J. Vega-Montoto,et al.  Methods for systematic investigation of measurement error covariance matrices , 2005 .

[41]  Romà Tauler,et al.  On rotational ambiguity in model‐free analyses of multivariate data , 2006 .

[42]  Margaret Werner-Washburne,et al.  BMC Bioinformatics BioMed Central Methodology article Multivariate curve resolution of time course microarray data , 2006 .

[43]  Romà Tauler,et al.  Multivariate Curve Resolution (MCR) from 2000: Progress in Concepts and Applications , 2006 .

[44]  M. P. Callao,et al.  Sequential injection analysis linked to multivariate curve resolution with alternating least squares , 2006 .

[45]  Jean Pierre Huvenne,et al.  Hybrid hard-and soft-modeling applied to difference spectra , 2007 .

[46]  Anna de Juan,et al.  pH- and time-dependent hemoglobin transitions: a case study for process modelling. , 2007, Analytica chimica acta.

[47]  C. Ruckebusch,et al.  Multivariate curve resolution of rapid-scan FTIR difference spectra of quinone photoreduction in bacterial photosynthetic membranes , 2007, Analytical and bioanalytical chemistry.

[48]  M. Esteban,et al.  Potential shift correction in multivariate curve resolution of voltammetric data. General formulation and application to some experimental systems. , 2008, The Analyst.

[49]  F. Rius,et al.  Multivariate curve resolution–alternating least squares (MCR-ALS) applied to spectroscopic data from monitoring chemical reactions processes , 2008, Analytical and bioanalytical chemistry.

[50]  M. Galera,et al.  Solving matrix-effects exploiting the second order advantage in the resolution and determination of eight tetracycline antibiotics in effluent wastewater by modelling liquid chromatography data with multivariate curve resolution-alternating least squares and unfolded-partial least squares followed b , 2008, Journal of chromatography. A.

[51]  Valeria A. Lozano,et al.  Second-order advantage from kinetic-spectroscopic data matrices in the presence of extreme spectral overlapping A multivariate curve resolution--alternating least-squares approach. , 2008, Analytica chimica acta.

[52]  R. Tauler,et al.  Application of multivariate curve resolution alternating least squares (MCR-ALS) to the quantitative analysis of pharmaceutical and agricultural samples. , 2008, Talanta.

[53]  Alejandro C Olivieri,et al.  Chemometric resolution of fully overlapped CE peaks: Quantitation of carbamazepine in human serum in the presence of several interferences , 2008, Electrophoresis.

[54]  Romà Tauler,et al.  Photodegradation study of decabromodiphenyl ether by UV spectrophotometry and a hybrid hard- and soft-modelling approach. , 2008, Analytica chimica acta.

[55]  C. Ruckebusch,et al.  Contribution Made by Multivariate Curve Resolution Applied to Gel Permeation Chromatography—Fourier Transform Infrared Data for an In-Depth Characterization of Styrene—Butadiene Rubber Blends , 2008, Applied spectroscopy.

[56]  M. Esteban,et al.  Combined use of the potential shift correction and the simultaneous treatment of spectroscopic and electrochemical data by multivariate curve resolution: analysis of a Pb(II)-phytochelatin system. , 2008, The Analyst.

[57]  Marcel Maeder,et al.  Use of local rank‐based spatial information for resolution of spectroscopic images , 2008 .

[58]  Romà Tauler,et al.  Calculation and meaning of feasible band boundaries in multivariate curve resolution of a two-component system. , 2009, Analytical chemistry.

[59]  Sungjin Hong,et al.  Warped factor analysis , 2009 .

[60]  Diane S Lidke,et al.  Hyperspectral Confocal Fluorescence Imaging: Exploring Alternative Multivariate Curve Resolution Approaches , 2009, Applied spectroscopy.

[61]  P. Wentzell,et al.  Characterization of the measurement error structure in 1D 1H NMR data for metabolomics studies. , 2009, Analytica chimica acta.

[62]  M. Viant,et al.  Analysis of time course 1H NMR metabolomics data by multivariate curve resolution , 2009, Magnetic resonance in chemistry : MRC.

[63]  Romà Tauler,et al.  Chemometrics description of measurement error structure: study of an ultrafast absorption spectroscopy experiment. , 2009, Analytica chimica acta.

[64]  Bahram Hemmateenejad,et al.  MCR-NAS: A combined hard-soft multivariate curve resolution method based on net analyte signal concept for modeling kinetic data with inert interference and baseline drift , 2009 .

[65]  Valeria A. Lozano,et al.  Standard addition analysis of fluoroquinolones in human serum in the presence of the interferent salicylate using lanthanide-sensitized excitation-time decay luminescence data and multivariate curve resolution. , 2009, Talanta.

[66]  T. Uwada,et al.  Multiscale Approach of Photochromism: Synthesis and Photochromic Properties of a Diarylethene in Solution, in Nanoparticles, and in Bulk Crystals , 2009 .

[67]  Peter D. Wentzell,et al.  Comparison of the results obtained by four receptor modelling methods in aerosol source apportionment studies , 2009 .

[68]  Mark Berman,et al.  ICE: a new method for the multivariate curve resolution of hyperspectral images , 2009 .

[69]  C. Ruckebusch,et al.  Hybrid hard- and soft-modelling applied to analyze ultrafast processes by femtosecond transient absorption spectroscopy: study of the photochromism of salicylidene anilines. , 2009, Analytica chimica acta.

[70]  Cristina Ariño,et al.  Non-linear multivariate curve resolution analysis of voltammetric pH titrations. , 2010, The Analyst.

[71]  M. Alexander,et al.  Surface characterization of carbohydrate microarrays. , 2010, Langmuir : the ACS journal of surfaces and colloids.

[72]  Romà Tauler,et al.  Application of multivariate curve resolution to the analysis of yeast genome-wide screens , 2010 .

[73]  G. Absalan,et al.  Estimating the rate constant in second-order kinetics using hard-soft-net analyte signal (HS-NAS) method , 2010 .

[74]  Deconvolution of femtosecond time‐resolved spectroscopy data in multivariate curve resolution. Application to the characterization of ultrafast photo‐induced intramolecular proton transfer , 2010 .

[75]  R. Tauler,et al.  Multivariate curve resolution of organic pollution patterns in the Ebro River surface water-groundwater-sediment-soil system. , 2010, Analytica chimica acta.

[76]  Gabriela A Ibañez,et al.  Second-order analyte quantitation under identical profiles in one data dimension. A dependency-adapted partial least-squares/residual bilinearization method. , 2010, Analytical chemistry.

[77]  Howland D. T. Jones,et al.  Accurate Detection of Low Levels of Fluorescence Emission in Autofluorescent Background: Francisella-Infected Macrophage Cells , 2010, Microscopy and Microanalysis.

[78]  Romà Tauler,et al.  Investigation of the source composition and temporal distribution of volatile organic compounds (VOCs) in a suburban area of the northwest of Spain using chemometric methods , 2010 .

[79]  H. Goicoechea,et al.  Determination of pharmaceuticals in river water by column switching of large sample volumes and liquid chromatography-diode array detection, assisted by chemometrics: an integrated approach to green analytical methodologies. , 2010, Journal of chromatography. A.

[80]  Romà Tauler,et al.  MCR-BANDS: A user friendly MATLAB program for the evaluation of rotation ambiguities in Multivariate Curve Resolution , 2010 .

[81]  M. Jalali-Heravi,et al.  Recent trends in application of multivariate curve resolution approaches for improving gas chromatography-mass spectrometry analysis of essential oils. , 2011, Talanta: The International Journal of Pure and Applied Analytical Chemistry.

[82]  Max Diem,et al.  Spectral unmixing and clustering algorithms for assessment of single cells by Raman microscopic imaging , 2011 .

[83]  Hadi Parastar,et al.  Resolution and quantification of complex mixtures of polycyclic aromatic hydrocarbons in heavy fuel oil sample by means of GC × GC-TOFMS combined to multivariate curve resolution. , 2011, Analytical chemistry.

[84]  Ivana Stanimirova,et al.  A comparison of positive matrix factorization and the weighted multivariate curve resolution method. Application to environmental data. , 2011, Environmental science & technology.

[85]  R Tauler,et al.  Resolution and segmentation of hyperspectral biomedical images by multivariate curve resolution-alternating least squares. , 2011, Analytica chimica acta.

[86]  R. Tauler,et al.  Chemometric Analysis of Excitation Emission Matrices of Fluorescent Nanocomposites , 2011, Journal of Fluorescence.

[87]  M. Esteban,et al.  Asymmetric logistic peak as a suitable function for the resolution of highly asymmetric voltammograms in non-bilinear systems. , 2011, The Analyst.

[88]  Angle-Constrained Alternating Least Squares , 2011, Applied spectroscopy.

[89]  M. Vosough,et al.  Fast liquid chromatography-diode array detection assisted by chemometrics for quantification of seven ultraviolet filters in effluent wastewater. , 2011, Talanta.

[90]  C. Ruckebusch,et al.  Effects of a self-assembled molecular capsule on the ultrafast photodynamics of a photochromic salicylideneaniline guest. , 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

[91]  Peter W Carr,et al.  Factors that affect quantification of diode array data in comprehensive two-dimensional liquid chromatography using chemometric data analysis. , 2011, Journal of chromatography. A.

[92]  S. Rutan,et al.  Chemometric Resolution and Quantification of Four-Way Data Arising from Comprehensive 2D-LC-DAD Analysis of Human Urine. , 2011, Chemometrics and intelligent laboratory systems : an international journal sponsored by the Chemometrics Society.

[93]  Graciela M. Escandar,et al.  Second-order and higher-order multivariate calibration methods applied to non-multilinear data using different algorithms , 2011 .

[94]  Background correction and multivariate curve resolution of online liquid chromatography with infrared spectrometric detection. , 2011, Analytical chemistry.

[95]  Xinwei Feng,et al.  Determination and resolution of non-UV–visible absorptive component during a kinetic process with modified soft modeling methods , 2011 .

[96]  C. Ruckebusch,et al.  Ubiquinol formation in isolated photosynthetic reaction centres monitored by time-resolved differential FTIR in combination with 2D correlation spectroscopy and multivariate curve resolution , 2011, Analytical and Bioanalytical Chemistry.

[97]  Pascal Pernot,et al.  Comprehensive data analysis of femtosecond transient absorption spectra: A review , 2012 .

[98]  Yvan Vander Heyden,et al.  Bilinear decomposition based alignment of chromatographic profiles. , 2012, Analytical chemistry.

[99]  K. Neymeyr,et al.  Model‐free multivariate curve resolution combined with model‐based kinetics: algorithm and applications , 2012 .

[100]  M. P. Callao,et al.  Evaluation of the adsorption and rate constants of a photocatalytic degradation by means of HS-MCR-ALS. Study of process variables using experimental design , 2012 .

[101]  Marcio Pozzobon Pedroso,et al.  Multivariate curve resolution combined with gas chromatography to enhance analytical separation in complex samples: a review. , 2012, Analytica chimica acta.

[102]  Seungjin Choi,et al.  Independent Component Analysis , 2009, Handbook of Natural Computing.

[103]  Hadi Parastar,et al.  Is independent component analysis appropriate for multivariate resolution in analytical chemistry , 2012 .

[104]  Romà Tauler,et al.  Maximum Likelihood Principal Component Analysis as initial projection step in Multivariate Curve Resolution analysis of noisy data , 2012 .

[105]  M. Esteban,et al.  Electroanalytical and isothermal calorimetric study of As(III) complexation by the metal poisoning remediators, 2,3-dimercapto-1-propanesulfonate and meso-2,3-dimercaptosuccinic acid. , 2012, Analytica chimica acta.

[106]  A. Campiglia,et al.  Multi-way partial least-squares and residual bi-linearization for the direct determination of monohydroxy-polycyclic aromatic hydrocarbons on octadecyl membranes via room-temperature fluorescence excitation emission matrices. , 2012, Analytica chimica acta.

[107]  Y. Heyden,et al.  Resolution of spectrally rank‐deficient multivariate curve resolution: alternating least squares components in comprehensive two‐dimensional liquid chromatographic analysis , 2012 .

[108]  M. Kompany‐Zareh,et al.  Study of neutral red interaction with DNA by resolution of rank deficient multi-way fluorescence data. , 2012, Journal of pharmaceutical and biomedical analysis.

[109]  David J Scurr,et al.  Use of imaging multivariate analysis to improve biochemical and anatomical discrimination in desorption electrospray ionisation mass spectrometry imaging. , 2012, The Analyst.