MULTIVARIATE CURVE RESOLUTION
BIBLIOGRAPHY
|
|
MULTIVARIATE CURVE RESOLUTION BIBLIOGRAPHY |
|
| Theory |
| Principal
Component Analysis Applied to the Study of Successive Complex Formation
Data in the Cu(II) ethanolamine Systems. R.Tauler and E.Casassas. Journal
of Chemometrics, 1988, 3, 151-61 Application of Principal Component Analysis to the Study of Multiequilibria Systems: Study of Cu(II)-Salicylate-mono-, di- and triethanolamine Systems. R.Tauler and E.Casassas. Analytica Chimica Acta, 1989, 223, 257-268. Self-Modeling
Curve resolution applied to Spectroscopic Titration Data using Factor
Analysis.R.Tauler, E.Casassas and A.Izquierdo-Ridorsa. Analytica Chimica
Acta, 1991, 447-458. Simultaneous
analysis of several spectroscopic titrations with self-modeling curve
resolution. R.Tauler, A.Izquierdo-Ridorsa and E.Casassas. Chemometrics and
Intelligent Laboratory Systems, 1993, 18, 293-300. Multivariate
Curve resolution Applied to Spectral Data from Multiple Runs of an
Industrial Process. R.Tauler, B.R.Kowalski and S.Flemming.
Analytical Chemistry, 1993, 65, 2040 - 2047 Multivariate
Curve Resolution and Calibration Applied to Liquid Chromatography Diode
Array Detection. R. Tauler, D. Barceló. Trends
in Analytical Chemistry, 1993, 12, 319-327. Multicomponent
determination of chlorinated hydrocarbons using a reaction-based chemical
sensor. Part II Chemical speciation using multivariate curve resolution.
R.Tauler, A.K.Smilde, J.M.Henshaw, L.W.Burgess, B.R.Kowalski. Analytical
Chemistry, 1994, 66, 3337-3344. Multicomponent
determination of chlorinated hydrocarbons using a reaction-based chemical
sensor. Part III Medium-rank second-order calibration with restricted
Tucker models. A.K.Smilde, R.Tauler, J.M.Henshaw, L.W.Burgess,
B.R.Kowalski. Analytical Chemistry, 1994, 66, 3345-3351 Selectivity,
Local Rank, Three-Way Data Analysis and Ambiguity in Multivariate Curve
Resolution. R.Tauler, A.Smilde and B.R.Kowalski. Journal of Chemometrics, 1995,
9, 31 - 58 Multivariate
curve resolution applied to second order data. R.Tauler. Chemometrics and
Intelligent Laboratory Systems, 1995, 30, 133-146. Anàlisi de mescles mitjançant resolució multivariant de corbes. R.Tauler. Arxius de la Secció de Ciencies, Vol 115, Secció de Ciències i Tecnologia, Institut d’Estudis Catalans, Barcelona, 1997 Assessment of New Constraints Applied to the Alternating Least Squares (ALS) Method. A. de Juan, Y. Vander Heyden, R. Tauler, D.L.Massart. Analytica Chimica Acta, 1997, 346, 307 - 318 Second-Order
Multivariate Curve resolution Applied to Rank-Deficient Data Obtained from
Acid-Base Spectrophotometric Titrations of Mixtures of Nucleic Bases. A.
Izquierdo-Ridorsa, J. Saurina, S. Hernández-Cassou and R. Tauler. Chemometrics
and Intelligent Laboratory Systems, 1997, 38, 183-196. Multivariate
Curve Resolution Applied to Three-way Trilinear Data: Study of a
Spectrofluorimetric Acid-base Titration of Salicylic Acid at Three
Excitation Wavelengths. R. Tauler, I. Marqués, E. Casassas. Journal
of Chemometrics, 1998, 12, 55-75 Multivariate
Curve resolution of rank-deficient kinetic spectrophotometric data from
first-order kinetic kinetic decomposition reactions. J.Saurina, S.Hernández-Cassou,
R.Tauler and. A.Izquierdo-Ridorsa. J. of Chemometrics, 1998,
12, 183-203 Comparison
between the Trilinear Decomposition (TLD) and the Alternating Least
squares (ALS) methods for the resolution of three-way data sets. A.de
Juan, S.C.Rutan, R.Tauler and D.L.Massart. Chemometrics and Intelligent
Lab. Systems, 1998,1027, 40, 19-32 Calibration methods for complex second order data. A.Smilde, A. Smilde, R.Tauler, X.Saurina and R.Bro. Analytica Chimica Acta, 1999, 398, 237-251 Strategies
for solving matrix effects in second order calibration using multivariate
curve resolution. J.Saurina and R.Tauler. The
Analyst, 2000, 125, 2038-43 Combining
hard- and soft-modelling techniques to solve kinetic problems. A.de Juan,
M.Maeder, M.Martínez and R.Tauler. Chemometrics and Intelligent
Laboratory Systems, 2000, 54, 49-67 Estimation
of figures of merit using univariate statistics for quantitative second-order
multivariate curve resolution.J.Saurina,
C.Leal, R.Compaño, M.Granados, M.D.Prat and R.Tauler. Analytica Chimica
Acta, 2001, 432, 245-255. Calculation
of maximum and minimum band boundaries of feasible solutions for species
profiles obtained by multivariate curve resolution. Comparison
of three-way resolution methods for non-trilinear data sets Quantitation
of mixtures of diprotic organic acids by FTIR flow titrations and
multivariate curve resolution |
| Applications |
| Spectroscopic Studies of Biomolecules |
| Spectroscopic
resolution of macromolecular complexes using factor analysis: Cu(II)-polyethileneimine
system. R.Tauler and E.Casassas. Chemometrics and Intelligent Laboratory
Systems, 1992, 14, 305-317. Application of an evolving factor analysis-based procedure to speciation in the Copper(II)-polyuridilic acid system. E.Casassas, R.Gargallo, I.Gimenez, A.Izquierdo-Ridorsa and R.Tauler. Analytica Chimica Acta, 1993, 283, 538-547. E. Casassas, R. Tauler, I. Marqués.
Interactions of H+ and
Cu(II) Ions with Poly(adenylic) Acid: Study by Factor Analysis.
Macromolecules, 1994, 27, 1729-1737. Study
of the acid-base behaviour and Cu(II) complexing properties of uracil and
hypoxanthin- derived nucleotides in aqueous solution. E.Casassas,
R.Gargallo, I.Giménez, A.Izquierdo-Ridorsa and R.Tauler. Journal
Inorganic Biochemistry, 1994, 56, 187-199. Application
of a new multivariate curve resolution procedure to the simultaneous
analysis of several spectroscopic titrations of copper-polyinosinic acid. E.
Casassas, R. Gargallo, A. Izquierdo-Ridorsa and R. Tauler. Chemometrics
and Intelligent Laboratory Systems, 1995, 27, 163-174. Application
of a Multivariate Curve Resolution Procedure to the Analysis of the Second-Order
Melting Data of Synthetic and Natural Polynucleotides. R. Gargallo,
R. Tauler, A. Izquierdo-Ridorsa. Analytical
Chemistry , 1997, 69, 1785 - 1792 Three-Way
Curve Resolution Applied to the Study of Solvent Effect on the
Thermodynamic and Conformational Transitions Related to the Protonation of
Polycytidylic Acid.A. de Juan, A. Izquierdo-Ridorsa, R. Gargallo, R.
Tauler, G. Fonrodona, E. Casassas. Analytical Biochemistry, 1997,
249, 174 - 183 Study
of the Acid-Base and Copper(II) Complexation Equilibria of poly(Inosinic)
- Poly(Cytidylic) Acid. R. Gargallo, R. Tauler, A. Izquierdo-Ridorsa. .
Biopolymers, 1997, 42, 271 - 283 A
Soft-Modeling Approach to Interpret Thermodynamic and Conformational
Transitions of Polynucleotides. A. de Juan, A. Izquierdo-Ridorsa,
R. Tauler, G. Fonrodona, E. Casassas. Biophysical
Journal, 1997,73,2937-48 Study
of the acid-base equilibria and conformational changes of double stranded
polyadenylic acid in aquesous solution. A.Kudrev, R.Gargallo, A.
Izquierdo-Ridorsa, R.Tauler and E.Casassas. Anal. Chim.
Acta, 1998, 363, 119-132 Multivariate
Curve Resolution: A possible Tool in the Detection of the Intermediate
Structures in Protein Folding. J.Mendieta, M.S.Diaz-Cruz, M.Esteban
and R.Tauler. Biophysical J 1998, 74,2876-2888 Chemical
speciation in biomacromolecular systems \par A.Izquierdo-Ridorsa,
R.Gargallo and R.Tauler Recent Research Developments in Pure and Applied
Analytical Chemistry, 1998, 1, 249-262 Two-phase
induction of the non-native ß -lactoglobulin in the presence of
trifluoroethanol. J.Mendieta, H.Folque and R.Tauler. Biophysical J., 1999,
76, 451-57. Study
of interaction of the polyadenylic-polyuridylic acid with 2,2'-bipyridine-copper(II)
chelates in aqueous solution A.Kudrev and R.Tauler Russ.J.Inorg.Chem. 1999,
44, 60-67. Resolution
of temperature dependent conformational multiequilibria processes.
R.Tauler, R.Gargallo, M.Vives and A.Izquierdo-Ridorsa Chemometrics and
Intelligent Laboratory Systems, 1999, 46, 275-296. Study
of the intercalation equilibrium between the polynucleotide poly(adenylic)-poly(uridylic)
acid and the ethidium bromide dye by means of Multivariat Curve Resolution
and the multivariate extension of the continuous variation and mole ratio
methods. M. Vives, R. Gargallo, R. Tauler. Analytical
Chemistry, 1999, 71, 4328- 4337 Study
of the protonation equilibria of a transfer ribonucleic acid by means of a
multivariate curve resolution method Multivariate
extension of the continuous variations and mole-ratio methods for the
study of the interaction of intercalators with polynucleotides Analytical
characterization of the cooperative effects in conformational transitions
of polynucleotides by means of different molecular spectroacopies and
multivariate curve resolution Study
of the interaction of cis-dichloro-(1,2-diethyl-3-aminopyrrolidine)Pt(II)
complex with poly(I), poly(C) and poly(I)-poly(C). M.Vives,
R.Gargallo, R.Tauler and V.Moreno. Journal
Inorganic Biological Chemistry, 2001, 85(4), 279-290 Protonation
studies and Multivariate Curve Resolution on oligodesoxynucleotides
carrying the mutagenic base 2-aminopurine Study
of the interaction of a cis-dichloroaminopyrrolidine Pt(II) complex and
the polynucleotide poly(I)-poly(C) acid by means of 1H NMR and
Multivariate Curve Resolution Three-way
data analysis applied to multispectroscopic monitoring of protein folding Three-way
data analysis applied to speciation of acid-base and thermal unfolding
transitions of an alternating polynucleotide Study of the influence of metal ions on tRNAPhe thermal unfolding equilibria by UV spectroscopy and multivariate curve resolution. M.Vives, R.Tauler, R.Gargallo. Journal of Inorganic Biochemistry, 2002, 89(1-2), 115-122. Multivariate curve resolution: a powerful tool for the analysis of conformational transitions in nucleic acids. Joaquim Jaumot, Nuria Escaja, Raimundo Gargallo, Carlos Gonzalez, Enrique Pedroso, Romà Tauler. Nucleic Acids Research, 2002, 30(17), e92 Detection and Resolution of Intermediate Species in Protein Folding Processes Using Fluorescence and Circular Dichroism Spectroscopies and Multivariate Curve Resolution. Navea, Susana; de Juan, Anna; Tauler, Roma. Analytical Chemistry, 2002, 74, 6031-6039, |
| Hyphenated Cromatography and Environmental Studies |
| Deconvolution
and Quantitation of complex unresolved mixtures of pesticides in liquid
chromatography-diode array detection using evolving factor
analysis.R.Tauler, G.Durand and D.Barceló Chromatographia, 1992,
33, 244-254. Study of Acid-base Properties of Fulvic Acids Using Fluorescence Spectrometry and Multivariate Curve Resolution Methods. E. Casassas, I. Marqués, R. Tauler. Analytica Chimica Acta, 1995, 310, 473-484 Quantitation
and Validation of Trace Herbicides Using On-line Solid- phase Extraction
Followed by Liquid Chromatography Diode-Array and Multivariate Curve
Resolution. S. Lacorte, D. Barcelo, R. Tauler. Journal
of Chromatography A, 1995, 697, 345-55. Application
of Multivariate Self-Modeling Curve Resolution for the Quantitation of
Trace Levels of Organophosphorous Pesticides in Natural Waters from
Interlaboratory Studies. R. Tauler, S. Lacorte, D. Barcelo Journal of
Chromatography A, 1996, 730, 177-183 Study
of the Degradation of Benomyl and Carbendazim by Means of Liquid
Chromatography and Multivariate Curve Resolution in Environmental Samples.
E. Mallat, D. Barceló, R. Tauler. Chromatographia,
1997, 46, 342-350 Input
Characterization of Sedimentary Organic Chemical Markers in the North
Western Mediterranean Sea by Exploratory Data Analysis. J. Salou,
R. Tauler, J. Bayona, I. Tolosa. Env.
Sci. Technol., 1997, 31, 3482 - 3490 Resolution
and quantitative determination of coeluted mixtures in mass spectrometry
liquid chromatography by multivariate curve resolution. J.M.Salou,
M.Honing, R.Tauler and D.Barcelo. J.of Chromatography, 1998, 795,
3-12 Correlation
between the concentration of selected herbicides and metabolites from
selected USA Midwestern reservoirs by Exploratory Data Analysis Main
findings and conclusions of the implementation of Directive 76/464/CEE
concerning the monitoring of organic pollutants in surface waters
(Portugal, April 1999-May 2000) Organic
Pollutants in Surface Waters from Portugal using Chemometric
Interpretation Multivariate
exploratory data analysis of the organic micropollutants found in the
Llobregat river (Catalonia, Spain) |
| Flow Injection Analysis |
| Continuous
Flow Titration System for the generation of multivariate
spectrophotometric data in the study of acid-base equilibria. J.Saurina,
S.Hernandez-Casou and R.Tauler. Analytica Chimica Acta 1995, 312,
189-198.
Multivariate
Curve Resolution Applied to Continous-Flow Spectrophotometric Titrations.
Reaction Between Amino Acids and 1,2-Naphthoquinone - 4 - Sulfonic acid.
J. Saurina, S. Hernández-Cassou, R. Tauler. Analytical Chemistry, 1995,
67, 3722 - 3726 Second
order calibration by multivariate curve resolution applied to the flow
injection determination of mixture of some aminoacids. \par
J.Saurina, S.Hernandez-Casou and R.Tauler. Analytica Chim. Acta
1996, 335, 41-49. Multivariate
Curve Resolution and Trilinear Decomposition Methods in the Analysis of
Stopped - Flow Kinetic Data for Binary Amino Acid Mixtures. J. Saurina, S.
Hernández-Cassou, R. Tauler. Analytical Chemistry, 1997, 69,
2329 - 2336 Continuous-flow and flow-injection pH gradients for spectrophotometric determinations of mixtures of nucleic acid components. J.Saurina, S.Hernandez-Cassou, R.Tauler and A.Izquierdo-Ridorsa. Analytical Chemistry, 1999, 71, 2215-2220 Spectrophotometric
determination of pKa values based on a pH gradient flow-injection system pH
gradient spectrophotometric data files from flow-injection and continuous-flow
systems for two- and three-way data analysis |
| Industrial Processes |
| Multivariate
curve resolution applied to spectral data from multiple runs of an
industrial process. R. Tauler, B.R. Kowalski and S. Fleming. Analytical
Chemistry 1993, 65, 2040.
Multicomponent determination of chlorinated hydrocarbons using a reaction-based chemical sensor. 2. Chemical speciation using multivariate curve resolutionTauler,R.;Smilde,A.K.;Henshaw,J.M.;Burgess,L.W.;Kowalski,B.. Analytical Chemistry, 1994, 66, 3337 - 3344 Multicomponent determination of chlorinated hydrocarbons using a reaction-based chemical sensor. 3. Medium rank second order calibration with restricted Tucker models. A..K. Smilde, R. Tauler, H.M. Henshaw, L.W. Burgess and B.R. Kowalski. Analytical Chemistry, 1994, 66, 3345 - 3351 |
| Voltammetric Studies of metal complexation equilibria |
| Application
of Multivariate Curve resolution to the Voltammetric Data. Part 1. Study
of Zn(II) Complexation with some polyelectrolytes. Journal of
Electroanalytal Chemistry, 1995, 393, 7-16 Application
of Multivariate Curve Resolution to Voltammetric Data. Part 2: Study of
Metal-Binding Properties of the Peptides. J. Mendieta, M. S. Diaz-Cruz, R.
Tauler and M. Esteban.Analytical Biochemistry, 1996, 240, 134-141 Cadmium
Binding Properties of Gluthathione: a Chemometrical Analysis of
Voltammetric Data. M.S.Díaz-Cruz, J. Mendieta, R. Tauler, M. Esteban.
Journal of Inorganic Biochemistry, 1997, 66, 29-36 Application
of multivariate curve resolution to the voltammetric data. Part 3 Factor
analysis ambiguities in the study of weak consecutive complexation of
metal ion with ligand. B.S.Grabaric, Z.Grabaric, R.Tauler, M.Esteban and
E.Casassas. Anal. Chim. Acta, 1997, 341, 105-120. Study
of zinc-binding properties of glutathione by differential pulse
polarography and multivariate curve resolution M.S.Diaz-Cruz, J.Mendieta,
A.Monjonell, R.Tauler and M.Esteban J.Inorg. Biochem, 1998, 40,
91-98 Multivariate
curve resolution analysis of voltammetric data obtained at different time
windows: study of the system Cd(II)-Nitrilotriacetic acid M.Torres,
J.M.Diaz-Cruz, C.Arino, B.S.Grabaric, R.Tauler and M.Esteban
Anal.Chim.Acta 1998, 371, 23-37. Zinc-binding properties of the C-terminal hexapeptide Lys-Cys-Thr-Cys-Cys-Ala from mouse metallothionein: analysis by differential pulse polarography and multivariate curve resolution. \par M.S.Diaz-Cruz, J.Mendieta, A.Monjonell, R.Tauler and M.Esteban. Analytica Chimica Acta, 1999, 385, 335-363. Multivariate
curve resolution of cyclic voltammetric data: Application to the study of
Cadmium binding properties of glutathione. M. S. Díaz-Cruz,
J. Mendieta, R. Tauler and M. Esteban. Analytical
Chemistry, 1999, 71, 4629-4636. Multivariate
Curve resolution with alternating least squares optimization: a soft
modelling approach to metal complexation studies by voltammetric
techniques. M.Esteban, C.Ariño,
J.M.Diaz Cruz, M.S.Diaz-Cruz
and R.Tauler. Trends in Analytical Chemistry, 2000,
19, 49-61. Soft-
and hard-modeling approaches for the determination of stability constants
of metal-peptide systems by voltammetry, Multivariate
Curve resolution of polarographic data applied to the study of the copper-binding
ability of tannic acid Implementation
of a chemical equilibrium constraint in the multivariate curve resolution
of voltammograms from systems with successive metal complexes Soft
modelling approach applied to voltammetric data: study of
electrochemically labile metal-glycine complexes Voltammetric
soft-modeling approach for systems with both electrochemically labile and
inert complexes: the Zn(II)-glycine system Differential
Pulse Polarographic Study of the Pb(II) Complexation by Gluthathione.
B.H.Cruz, J.M.Díaz-Cruz, M.S. Diaz-Cruz, C.Ariño, E.Esteban and R.Tauler Study
of Cd2+ Complexation by the Gluthathione Fragments Cys-Gly (CG)
and y-Glu-Cus-(y-EC) by
differential pulse polarography. B.H.Cruz, J.M.Diaz, C.Ariño, M.Estebam
and R.Tauler. The Analyst, 2002, 127, 401-406 |
| comments to: Romà Tauler, Anna de Juan | |
| Main Page |
updated: February 2005 |
