Romà Tauler´s
Publications Page
cv (spanish version); cv (short english version)
Name: Romà Tauler
Born: in
Position: Research
Professor
Institution:
IDAEA
Address: Jordi Girona
18,
Phone: +34 93
4006140
Fax: +34
93 2045904
Email:
mailto:Roma.Tauler@idaea.csic.es
PUBLICATIONS (peer reviewed)
Contact me for a copy
of pdf files
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,
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
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,
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
Multivariate Curve resolution of overlapping voltammetric peaks. Quantitative determinations of binary and quaternary metal
mixtures. M.C.Antunes, J.E.J.Simao, A,C.Duarte
and R.Tauler. The Analyst, 2002, 127, 809-817.
Multivariate resolution of coeluted peaks in
hyphenated liquid chromatography-linear sweep voltammetry. F.Berbel,
E.Kapoya, J.M.Diaz-Cruz, C.Ariño, M.Esteban and R.Tauler.
Electroanalysis, 2003, 15, 499-508
Application of a novel combination of hard- and soft-modeling for
equilibrium systems to the quantitative analysis of pH modulated mixture
samples. J. Diewok; A. de Juan; M. Marcel; R. Tauler; B. Lendl. Analytical
Chemistry, 2003, 76, 641-7
Multivariate resolution of NMR labile signals by
means of hard- and soft-modeling methods. J. Jaumot, M. Vives, R. Gargallo and
R. Tauler. Analytica Chimica Acta, 2003, 490, 253-264
Chemometrics applied to unravel multicomponent processes and mixtures.
Revisiting multivariate resolution. A.de Juan and R.Tauler. Analytica Chimica
Acta, 2003, 500,195-210.
Local rank exploratory analysis of evolving rank deficient systems. A.de
Juan, S.Navea, J.Diework and R.Tauler. Chemometrics and Intelligent laboratory
systems, 2004, 70, 11-21
Spectroscopic imaging and chemometrics: a powerful combination for
pharmaceutical product control. A. de Juan, R. Dysson, C. Marcolli, M.Rault, R.
Tauler and M.Maeder. Trends in Analytical Chemistry, 2004, 23, 70-79.
Multivariate Curve Resolution applied to the analysis and resolution of
two-dimensional [1H,15N]-NMR-reaction spectra. J.Jaumot, V.Marchán, R.Gargallo, A.Grandas and R.Tauler.
Analytical Chemistry, 2004, 76, 7094-7101
Estimation of error propagation and prediction
intervals in MCR-ALS using resampling methods. J.Jaumot, R.Gargallo and
R.Tauler. J. of Chemometrics, 2004, 18, 18, 327–340
An user friendly interface for MCR-ALS : a new
tool for Multivariate Curve Resolution in MATLAB Joaquim Jaumot, Raimundo
Gargallo, Anna de Juan and Roma Tauler
Chemometrics and Intelligent Laboratory Systems, 2005, 76(1) 101-110
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. M. Garrido, M. S. Larrechi, F. X. Rius
and R. Tauler. Chemometrics and Intelligent Laboratory Systems, 2005, 76,
111-120
Local rank
analysis for exploratory spectroscopic image analysis. Fixed Sizw Image
Window-Evolving Factor Analysis. A. de Juan, M.Maeder,
Th. Hancewicz and R.Tauler. Chemometrics and Intelligent Laboratory
Systems, 2005, 77, 64-74
Comparison of PARAFAC2 and MCR-ALS for resolution
of a liquid dilution system. Ch,B.Zachariassen, J.Larsen, F.and den Berg,
R.Bro, A.de Juan and R.Tauler. Chemometrics and Intelligent Laboratory Systems, 2006, 83, 13-25
Multi-way analysis for investigation of industrial
pectin using an analytical liquid dilution system. Christian B. Zachariassena,
Jan Larsena, Frans van den Berg, Rasmus Bro, Anna de Juan, Romà Tauler. Chemometrics and Intelligent laboratory
System, 2006, 84, 9-20
Multivariate Curve Resolution (MCR) from
2000: progress in concepts and applications. Anna de
Juan and Romà Tauler. Critical Reviews in Analytical Chemistry, 2006, 36, 163–176
Quality assessment of the results obtained by
Multivariate Curve Resolution of multiple runs of gasoline blending processes.
Joaquim Jaumot, José C. Menezes and Romà Tauler. J.Chemometrics,
2006, 20, 54-67
On Rotational Ambiguity in Model-Free Analyses of
Multivariate Data. Maryam Vosough, Caroline Mason, Romà Tauler, Mehdi
Jalali-Heravi, Marcel Maeder. J.of Chemometrics, 2006, 20, 1-9 (DOI:
10.1002/cem.1022)
Application of
non-linear optimization methods to the estimation of multivariate curve
resolution solutions and of their feasible band boundaries in the investigation
of chemical and environmental data sets. R. Tauler. Analytica
Chimica Acta,
Other Multivariate
Data Analysis Methods
Simultaneous
Determination of Alpha Plutonium Emitters by Liquid Scintillation Counting
using Multivariate Calibration. M. Toribio, J.F. García, A.
Izquierdo-Ridorsa, R. Tauler, G. Rauret. Analytica Chimica Acta, 1995, 310, 297
Modeling instrument differences by chemometric methods. Testing for NIR
forage analysis. A.Puigdomenech, R.Tauler, E.Casassas
and M.Aragay. Anal.Chim.Acta, 1997, 355, 181-193
Determination of
triphenyl in seea-water by excitation-emission matrix fluorescence and
multivariate curve resolution.
Preliminary results of an
interlaboratory study of chemometric software and methods on NIR data. Predicting the
content of crude protein and water in forages. I. Ruisánchez*1, F.X.
Rius, S. Maspoch, J. Coello, T. Azzouz, R. Tauler, L. Sarabia, M.C. Ortiz, J.A.
Fernández, D. Massart, A. Puigdomènech and C. García. Chemometrics and
Intelligent Laboratory Systems, 2002, 63, 93-105
Comparison between different data pre-treatment methods in the analysis
of forage samples using NIR diffuse reflectance spectroscopy and multivariate
calibration methods. T.Azzouz, A.Puigdoménech and R.Tauler. Analytica Chimica Acta,
2003, 484, 121-134.
Environmental Chemistry
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,
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
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
Multivariate exploratory data analysis of the
organic micropollutants found in the Llobregat river (
Identification of main microcontaminant sources
of non-ionic susfactants , their degradation products and linear alkylbenzene
sulfonates in coastal waters and sediments in Spain by means of principal
component analysis and multivariate resolution. E. Peré-Trepat, M.Petrovic,
D.Barceló and R.Tauler. Analytical
and Bio analytical Chemistry, 2004, 378, 642-654
Resolution of main environmental contamination
sources of semivolatile organic compounds in surface waters of Portugal using
chemometric compounds. R.Tauler, S.Lacorte, M.Guillamón, R.Cespedes, P.Viana
and D.Barceló. Environmental
Toxicology and Chemistry, 2004, 23,
565-575.
Resolution of main environmental contamination sources of semivolatile
organic compounds in surface waters of Portugal using chemometric
compounds.R.Tauler, S.Lacorte, M.Guillamón, R.Cespedes, P.Viana and D.Barceló.
Environmental Toxicology and Chemistry, 2004, 23, 565-575.
Fast determination of complex biocide mixtures
by short column LC-DAD and Multivariate Curve Resolution. E. Peré-Trepat, A.Hildebrandt,
D.Barceló, S.Lacorte and R.Tauler. Chemometrics and Intelligent Laboratory
Systems, 2004, 74, 293-303
Toxicity assays applied to waste water treatment
M. D. Hernando, A. R. Fernández-Alba, R. Tauler and D. Barceló
Talanta, 2005, 65, 358-366
Solving liquid chromatography mass spectrometry
coelution problems in the analysis of environmental samples by means of
multivariate curve resolution
J. of Chromatography,
Emma Peré-Trepat, Silvia Lacorte and Romà Tauler
Solving
liquid chromatography mass spectrometry coelution problems in the analysis of
environmental samples by means of multivariate curve resolution. Emma
Peré-Trepat, Silvia Lacorte and Romà Tauler. J. of Chromatography, 2005, 1096, 111-122
Chemometrical investigation of contamination
sources (presence and distribution) of organochlorine and polyaromatic
compounds in the Ebro River Basin. Alícia Navarro, Romà Tauler, Sílvia Lacorte
and Damià Barceló. Analytical
and Bio analytical Chemistry, 2006, 385, 1020-30
Multivariate curve resolution of multidimensional
excitation-emission quenching matrices
of a Laurentian soil fulvic acid. Joaquim C.G. Esteves da Silva, Maria J.C.G.
Tavares and Romá Tauler. Chemosphere, 2006, 64,1939-1948
Identification and distribution of contamination
sources in the Ebro river basin by chemometrics modelling coupled to
geographical information systems. Marta Terrado, Damià Barceló, Romà Tauler.
Talanta, 2006, 70, 691-704
Geographical and temporal disrtribution of
tropospheric ozone in Catalonia (Nort-east Spain) during the period 2000-
Analysis of environmental samples by
application of multivariate curve resolution on fused high-performance liquid
chromatography–diode array detection mass spectrometry data. E.Peré-Trepat
and R.Tauler. J.of
Chromatography, 2006, 1131, 85-96
Chemometrics modelling of organic contaminats in
fish and sediment river samples. E.Peré-Trepat, L.Olivella, A. Ginebreda, Josep
Caixach, Romà Tauler. Science
of the Total Environment, 2006,
371,223-237.
Multivariate Curve Resolution of Synchronous
Fluorescence Spectra Matrices of Fulvic Acids Obtained as Function of the pH.
Joaquim C.G. Esteves da Silva(1)*, Sandra L.R.R.S. Bastos(1) and Romá
Tauler(2). Applied Spectroscopy, 2006, 60, 1315-1321
Temporal characterisation of river waters in
urban and semi-urban areas using physico-chemical parameters and chemometric
methods. M. Felipe-Sotelo, J.M. Andrade, A. Carlosena and R. Tauler. Analytica Chimica
Acta, 2007, 583, 128–137
Investigation of main contamination sources of
heavy metal ions in fish, sediments and waters from Catalonia rivers using
different multiway data analysis methods. Emma Peré-Trepat and Romà Tauler.
Chemometrics and Intelligent Laboratory Systems,
Evaluation of pesticides pollution in the
irrigation and drainage channels of the Ebro river delta during the growing
season of rice using chemometric and geostatistical methods. Marta
Terrado, Marina Kuster, Demetrio Raldúa, Miren Lopez de Alda, Damià Barceló and
Romà Tauler. Analytical
and Bioanalytical Chemistry, in press
Spectroscopic studies of Biomolecules (Polynucleotides,
Proteins and their constituents)
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,
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 tRNAP
thermal unfolding equilibria by UV spectroscopy and multivariate curve
resolution. M.
Vives, R. Tauler, R. Gargallo. J. of Inorg.
Biochemistry, 2002, 89, 115-122
Resolution of conformational transitions
induced by temperature and salt changes of a cyclic oligonucleotide using UV
absorption and CD spectroscopies and Multivariate Curve Resolution. J. Jaumot, R.Gargallo, N. Escaja,
C.Gonzalez, E. Pedroso and R. Tauler. Nucleic Acid Research, 2002, 30
Detection and resolution of intermediate
species in protein folding processes using fluorescence and circular dichroism
spectroscopies and multivariate curve resolution S.Navea, A. de Juan and
R.Tauler.
Analytical Chemistry, 2002, 74, 6031-9
Resolution of prallel and antiparallel
oligonucleotide triple helices formation and melting processes by means of
Multivariate Curve Resolution. J.Jaumot, R.Gargallo, R.Eritja and R.Tauler. Journal of Biomolecular Structure & Dynamics, 2003, 21, 267-277
Modelling temperature-dependent protein structural
transitions by combined NIR and MIR spectroscopies and multivariate curve
resolution. S.Navea, A. de Juan and R.Tauler. Analytical Chemistry, 2003, 75, 5592-5601
Sinthesis and protonation studies of a dodecamer
containing the modified nucleoside 2'-desoxyzebularine. M.Vives, R.Eritja,
R.Tauler and R.Gargallo. Biopolymers, 2004, 73, 27-43
Aplication of the local regression method interval Partial Least Squares
for the elucidation of protein secondary structure
Susana Navea, Romà Tauler and Anna de Juan
Analytical Biochemistry, 2005, 336(2), 231-242
Application of multivariate curve resolution to
the temperature-induced unfolding of alpha-chymotrypsin. Anna Borges; Romà Tauler;
A. Borges, Analytica Chimica Acta, 2005, 544 159–166
Resolution of a structural
competition involving dimeric G-quadruplex and its C-rich complementary strand.
Joaquim Jaumot, Ramon Eritja, Romà Tauler and Raimundo Gargallo.Nucleic Acid Research, 2006, 34, 206–216
Chemometrics tools for classification and
elucidation of protein secondary structure from infrared and circular dichroism
spectroscopic measurements Susana Navea, Roma´ Tauler, Erik Goormaghtigh and
Anna de Juan. Protein:
Structure, Function and Bioinformatics,
2006, 63, 527–541
Monitoring and modelling of protein processes
using Mass Spectrometry, Circular Dichroism and multivariate curve resolution
methods. Susana Navea, Romà Tauler and Anna de Juan. Analytical Chemistry. 2006, 78, 4768-4778
Exploratory data analysis of DNA microarrays by
Multivariate Curve Resolution. Joaquim Jaumot, Romà Tauler and Raimundo
Gargallo. Analytical Biochemistry, 2006, 358, 76–89
Spectroscopic study of the interaction of
actinomycin D with oligonucleotides car6ying the central base sequences -XGCY-
and -XGGCCY-using multivariate methods Montse Vives; Ramón Eritja; Romà Tauler,
Raimundo Gargallo. Analytical
and Bioanalytical Chemistry, 2007,
387, 311–320
Voltammetric
studies of metal complexation equilibria
A pplication 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
Application of multivariate curve resolution to
the voltammetric study of the complexation of fulvic acids with cadmium(II)
ion. M.C.Antunes, J.E.Simao, A.C.Duarte, M.Esteban and R.Tauler. Analytica
Chimica Acta, 2002, 459, 291-304
Multivariate
resolution of coeluted peaks in hyphenated liquid chromatography-linear sweep
voltammetry. F.Berbel, E.Kapoya,
J.M.Diaz-Cruz, C.Ariño, M.Esteban and R.Tauler. Electroanalysis, 2003, 15, 499-508
Voltammetry
assisted by multivariate analysis as a tool for complexation studies of protein
domains: competitive complexation of
a and
b-metallothionein domains by cadmium and zinc. M.J.López, C.Ariño, S.Diaz-Cruz, J.M.Díaz-Cruz, R.Tauler and
M.Esteban. Environmental Science and Technology, 2003, 37, 5609-5616
Solution
equilibria studies
Mixed Ligand Complex Formation in the Copper(II)-Salicylate Ion-Ethilenediamine
System. E.Casassas and R.Tauler Journal Chimie Physique, 1984, 81, 233-41
Mixed Ligand Complex Formation in the Copper(II)-Salicylate
Ion-Picolinate Ion System. E.Casassas and R.Tauler. Journal Chimie Physique,
1984, 81, 558-67
Mixed Ligand Complex Formation in the Copper(II)-Salicylate-Ammonia and
in the Copper(II)-Salicylate-Pyridine Systems. E.Casassas and R.Tauler Journal
Chimie Physique, 1985, 82, 1067-77
The Complex Formation of Cu(II) with Triethanolamine in Aqueous Solution.
R.Tauler, E.Casassas, M.J.A.Rainer and B.M.Rode Inorganica Chimica Acta, 1985,
105, 165-70
The Interaction of H+, Zn(II) and Cu(II) with Adenine and 9-Methyladenine
in Aqueous Solution.R.Tauler, M.J.A.Rainer and B.M.Rode Inorganica Chimica
Acta, 1986, 123, 75-82
The Complex Formation of Cu(II) with Mono- and Diethanolamine in Aqueous
Solution. R.Tauler, E.Casassas and B.M.Rode. Inorganica Chimica Acta, 1986,
114, 203-209
Potentiometric Study of Mixed Ligand Complex Formation in the
Copper(II)-Salicylate-Mono-, Di- and Triethanolamine Systems; E.Casassas and
R.Tauler. Journal Chimie Physique, 1986, 83, 409-17
A Critical Comparison of Computer Programs for the Potentiometric
Determination of Stability Constants. E.Casassas, R.Tauler and M.Filella.
Analytica Chimica Acta, 1986, 191, 399-411
Assesment of the Results Obtained from Different Computer Programs
Applied to Potentiometric Complexation Data. E.Casassas, M.Filella and
R.Tauler. Analytica Chimica Acta, 1986, 191, 413-423
Potentiometric Study of the Co(II), Ni(II), Zn(II), and Cd(II) Complexes
with 3-Hydroxy-2-Naphtalene Carboxylic Acid. E.Casassas, G.Fonrodona and
R.Tauler. Polyhedron, 1987, 6, 1517-21
L'estudi dels Equilibris de Formació de Complexos Metàl.lics: Un Aspecte
Bàsic de
Mixed Ligand Complex Formation of Copper(II) and Zinc(II) Ions with
3-Hydroxynaphtoate and Picolinate ions in Dioxane-Water Mixtures. E.Casassas,
R.Tauler and G.Fonrodona Polyhedron, 1988, 7, 1335-40.
A Simplex Search for Conditions Giving Maximal and/or Minimal
Concentrations of Species in Distribution Plots. R.Tauler and E.Casassas.
Analytica Chimica Acta, 1988, 206, 189-202
Spectrophotometric Study of Complex Formation in Copper(II)-Mono-, Di-
and Triethanolamine Systems. E.Casassas, LL.Gustems and R.Tauler. Journal
Chemical Society Dalton Transactions, 1989, 569-573.
Estudio Comparativo de las Propiedades ácido-base y complejantes de
algunos ácidos orto-hidroxicardoxílicos aromáticos: ácido salicílico, ácido
3-hidroxi-2-naftoico y ácido pamoico. E.Casassas, G.Fonrodona,
A.Izquierdo-Ridorsa y R.Tauler. Anales de Química, serie B, 1990, 86, 257.
Reactions of Cu(II) with glycine and glycylglycine in aqueous solution at
high concentrations of sodium chloride. R.Tauler and B.M.Rode. Inorganica
Chimica Acta, 1990, 173, 93-98.
Acid-Base and Complex-Forming Properties of Uracil and Uridine in Aqueous
Solution. E.Casassas, A-Izquierdo-Ridorsa and R.Tauler. Journal of Inorganic
Biochemistry, 1990, 39, 327-336.
Potentiometric and 1H NMR study of the interaction of hypoxanthine and
inosine with H+, Cu2+ and Zn2+ ions.R.Tauler, J.F.Cid and E.Casassas. Journal
of Bioniorganic Chemistry, 1990, 39, 277-285.
Assesment of Solvent Parameters and Their Correlation with Protonation
Constants in Dioxane-Water Mixtures Using Factor Analysis; E.Casassas,
G.Fonrodona, A.de Juan and R.Tauler. Chemometrics and Intelligent Laboratory
Systems, 1991, 29-38.
ESR and VIS Spectrocopic Studies of Mixed Ligand Complexes of Copper(II)
Ion, Salicylate and Ammonia, Mono-, Di-, or Triethanolamine in Aqueous
Solution. E.Casassas, A.Izquierdo-Ridorsa and R.Tauler. Journal Chemical Society
Dalton Transactions, 1990, 2341-2345.
Assessment of Solvent Parameters and Their Correlation with Protonation
Constants in Dioxane-Water Mixtures Using Factor Analysis. E. Casassas, G.
Fonrodona, A. de Juan, R. Tauler. Chemometrics and Intelligent Laboratory
Systems, 1991, 12, 29.
Application of factor analysis to speciation in multiequilibria systems.
R.Tauler and E.Casassas. Analusis, 1992, 20, 255-268.
Salt induced peptide formation. On the selectivity of the copper induced
peptide formation under possible prebiotic conditions. M.G.Scwendinger,
R.Tauler, S.Saetia, K.R.Liedl, R.T.Kroemer and B.M.Rode. Inorganica Chimica
Acta. 1995, 228, 207-14
Indications towards a stereoselectivity of thea salt-induced peptide
formation reaction. K.Plankensteiner, A. Righi, B.M.Rode, R.Gargallo, J.Jaumot
and R.Tauler. Inorganica Chimica Acta, 2004, 357, 649-656.
Analytical
Chemistry
Paràmetres de
Qualitat en l'avaluació dels Procediments Analítics; R.Tauler Butlletí Societat
Catalana de Ciències, 1991, 321-4.
Comparación de Metodos de Calibración Multivariante aplicados al estudio espectrofotométrico de mezclas de bases purínicas y pirimidínicas. R.Tauler, A.Izquierdo y E.Casassas. Anales de Química, 1991, 87, 571.
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. J.Saurina, S.Hernandez-Cassou,
A.Izquierdo-Ridorsa and R.Tauler Chemometrics
and Intelligent Laboratory Systems,
2000, 50, 263-271
Determinarion of polyphenolic acids in strawberry
samples by a fast liquid chromatography and multivariate curve resolution
methods. Sílvia Mas, Gemma Fonrodona, Jose Barbosa, Romà Tauler. Talanta,
Books and chapter books
Anàlisi de mescles mitjançant resolució
multivariant de corbes.
Introducció a la
modelització en els estudis d'especiació química d'ions metàl.lics en els
sistemes biològics.
El Calibratge dels
instruments de mesura: Calibratge univariant
El Calibratge dels
instruments de mesura: La instrumentació moderna i els mètodes de calibratge multivariant
Interpretation of environmental data using
chemometrics
Soft Modeling of Analytical Data.
A.de Juan, E.Casassas and R.Tauler, Encyclopedia of Analytical Chemistry:
Instrumentation and Applications. Edited by R.A.Meyers, John Wiley & Sons,
2000, Vol 11, 9800-9837
Soft Modelling Techniques. A Tool for Studying Solvent
Extraction Processes. J.L.Cortina, M.Aguilar, M.El
Gharbi and R.Tauler. Solvent extraction for the 21st Century (ISEC'99),
M.Cox, M.Hidalgo and M.Valiente Eds. Society of Chemical Industry,
Chemometrics Modelling of Environmental Data Sets. Roma Tauler, Emma Pere,Trepat, Silvia Lacorte, Damia Barcelo. In Pahl, C.,
Schmidt, S. and Jakeman, T. (eds) iEMSs 2004
International Congress: "Complexity and Integrated Resources
Management". International Environmental Modelling and Software Society,
Society,
Preliminary results in the determination of meat and bone meal in
feedingstuffs. S.Termes, R. Tauler, A. Puigdomènech. In
NearInfrared Spectroscopy: Proceedings of the 11th NIRS International
Conference. Edited by A.M.C. Davies and A. Garrido-Varo.
NIR Publications,
PCA and PLS modeling and prediction of trihalomethane formation in
Barcelona's suply system. X.Puig, J.Martín and R.Tauler.
Proceedings of the PLS'05 International Symposium: PLS and related
methods. Edited by: T.Aluja, J.Casanovas, V.Esposito-Vinzi, A.Morineau and
M.Tennehaus. SPAD publications,
http://www.testandgo.comGroupe
Test&GoPCA, Vol 1, 2005 p 77-86
Multivariate Curve Resolution.
R.Tauler and A. de Juan
Practical
Guide to Chemometrics, Chapter 11, 2nd Edition. Taylor & Francis Group,
LLC, 2006
State
of the art in methods and software for the identification, resolution and
apportionment of contamination sources, R. Tauler, P. Paatero, Ph.Hopke R. C.
Henry4, C. Spiegelman, E. Sug Park, and R. L. Poirot In: Voinov, A., Jakeman,
A., Rizzoli, A. (eds). Proceedings of the iEMSs Third Biennial Meeting: "
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Last update: October 2005