Combination of chromatographic and chemometric methods to study the
interactions between DNA strands. Ruiz, S.; Checa, A.; Gargallo, R.; Jaumot,
J. Anal. Chim. Acta. 2012, en prensa
Experimental methods to study the interaction of G-quadruplex structures with
ligands. Jaumot, J., Gargallo, R. Current Pharmaceutical Design, 2012, en prensa.
Influence of pH, temperature and cationic porphyrin TMPyP4 on the stability of
the i-motif formed by the 5'-(C3TA2)4-3' sequence of the human telomere.
Fernández, S.; Jaumot, J.; Aviñó, A.; Eritja, R.; Gargallo, R. International
Journal of Biological Macromolecules 2011, 49, 729-736
Chemical equilibria studies using multivariate analysis methods. Jaumot, J.;
Eritja, R.; Gargallo, R. Anal. Bioanal. Chem. 2011, 399, 1983-1997
Spectrometric study of the folding process of i-motif-forming DNA sequences
upstream of the c-kit transcription initiation site. Bucek, P.; Gargallo, R.;
Kudrev, A. Anal. Chim. Acta, in press. DOI 10.1016/j.aca.2010.10.008
Using Principal Component Analysis to find hidden correlations between
loop-related and thermodynamic variables for G-quadruplex-forming sequences.
Jaumot, J.; Gargallo, R. Biochimie 2010, 92, 1016-1023
Synthesis and G-quadruplex binding properties of defined acridine oligomers.
Ferreira, R.; Aviñó, A.; Pérez-Tomás, R.; Gargallo, R.; Eritja, R. Journal of
Nucleic Acids, 2010, article ID 489060, doi:10.4061/2010/489060
Spectrometric study of the oligodeoxyribonucleotide protonation in aqueous
solution. Gargallo, R.; Eritja, R.; Kudrev, A. Russian Journal of General
Chemistry 2010, 3, 485. DOI: 10.1134/S1070363210030205
Structural properties of G,T-parallel duplexes carrying 8-aminopurine
residues. Aviñó, A.; Cubero, E.; Gargallo, R.; González, C.; Orozco, M.;
Eritja, R. Journal of Nucleic Acids, 2010, Article ID 763658,
doi:10.4061/2010/763658
pH-modulated Watson-Crick duplex - quadruplex equilibria of guanine-rich and
cytosine-rich DNA sequences 140 bp upstream of the c-kit transcription
initiation site. Bucek, P.; Jaumot, J.; Aviñó, A.; Eritja, R.; Gargallo,
R. Chemistry - A European Journal, 2009, 15, 12663-12671
del Toro, M.; Bucek, P.; Aviñó, A.; Jaumot, J.; González, C.; Eritja, R.;
Gargallo, R. Targeting the G-quadruplex-forming region near the P1 promoter
in the human BCL-2 gene with the cationic porphyrin TMPyP4 and with the
complementary strand. Biochimie, 2009, 91, 894 - 902
Ramos, R.; Manning, B.; Aviñó, A.; Gargallo, R.; Eritja, R. Photocleavage
of peptides and oligodeoxynucleotides carrying 2-nitrobenzyl groups. Helv.
Chim. Acta 2009, 92, 613
Jaumot, J.; Eritja, R.; Navea, S. Gargallo, R. Classification of
nucleic acids structures by means of the chemometric analysis of circular
dichroism spectra. Anal. Chim. Acta. 2009, 642, 117 - 126
del Toro, M.; Gargallo, R.; Eritja, R.; Jaumot, J.
Study of the interaction between the G-quadruplex-forming Thrombin Binding
Aptamer and the porphyrin TMPyP4. Anal. Biochem. 2008, 379, 8 - 15
Aviñó, A.; Grimau, M.G.; Alvira, M.; Eritja, R.;
Gargallo, R.; Orozco, M.; González, C. Triplex formation using
oligonucleotide clamps carrying 8-aminopurines. Nucleosides, Nucleotides,
and Nucleic Acids 2007, 26, 979 - 983
Kahn, N. Aviñó, A.; Tauler, R.;
González, C.; Eritja, R.; Gargallo, R. Solution equilibria of the
i-motif-forming region upstream of the B-cell
lymphoma-2 P1 promoter. Biochimie 2007, 89,
1562 - 1572
Vives, M.; Tauler, R.; Eritja, R.;
Gargallo, R. Spectroscopic study of the interaction of actinomycin D with
oligonucleotides carrying the central base sequences -XGCY- and -XGGCCY-
using multivariate methods. Analytical and Bioanalytical Chemistry 2007,
387, 311- 320
Jaumot, J.; Tauler, R.; Gargallo, R.
Exploratory data analysis of DNA microarrays by multivariate curve
resolution. Analytical Biochemistry 2006, 358, 76 - 89
Gargallo, R.; Cedano, J.;
Mozo-Villarias, A.; Querol, E.; Oliva, B. Study of the influence of
temperature on the dynamics of the catalytic cleft in 1,3-1,4-beta-glucanase
by molecular dynamics simulations. Journal of Molecular Modeling 2006, 12,
835 - 845
Jaumot, J.; Eritja, R.; Tauler, R.;
Gargallo, R. Resolution of a structural competition involving dimeric
G-quadruplex and its C-rich complementary strand. Nucleic Acids Research
2006, 34, 206 - 216
López de la Osa, J.; González, C.;
Gargallo, R.; Rueda, M.; Cubero, E.; Orozco, M.; Aviñó, A.; Eritja, R.
Destabilization of quadruplex DNA by 8-aminoguanine. ChemBioChem 2006, 7, 46
- 48
Kumar, P.; Verma, A.; Maiti, S.;
Gargallo, R.; Chowdhury, S. Tetraplex DNA transitions within the human c-myc
promoter detected by Multivariate Curve Resolution of Fluorescence Resonance
Energy Transfer. Biochemistry 2005, 44, 16426 - 16434
Kumar, P.;Kanchan, K.; Gargallo, R.;
Chowdhury, S. Resolution of folding processes of DNA monitored by
Fluorescence Resonance Energy Transfer by Multivariate Curve Resolution.
Analytica Chimica Acta 2005, 536, 135 - 143
Jaumot, J.; Gargallo, R. ; de Juan, A.;
Tauler, R. A user friendly interface for MCR-ALS: a new tool for
Multivariate Curve Resolution in MATLAB. Chemometrics and Intelligent
Laboratory Systems 2005, 76, 101 - 110
Grimau, M.G.; Aviñó, A.; Gargallo, R.;
Eritja R. Synthesis and triplex-forming properties of cyclic
oligonucleotides with (G,A)-Antiparallel strands. Chemistry & Biodiversity
2005, 2, 275 - 285
Jaumot, J.; Gargallo, R.; Tauler, R.
Noise propagation and error estimations in multivariate curve resolution
alternating least squares using resamplig methods. Journal of Chemometrics
2004, 18, 327 - 340
Jaumot, J.; Marchán, V.; Gargallo, R.;
Grandas, A.; Tauler, R. Multivariate Curve Resolution applied to the
analysis and resolution of two-dimensional [1H,15N]-NMR data. Analytical
Chemistry 2004, 76, 7094 - 7101
Jaumot, J.; Vives, M.; Gargallo, R.
Application of multivariate resolution methods to the study of Biochemical
and Biophysical processes. Analytical Biochemistry 2004, 327, 1 - 13
Plankensteiner, K.; Righi, A.; Gargallo,
R.; Jaumot, J.; Tauler, R. ; Rode, B. M. Indications towards a
stereoselectivity of the Salt-Induced Peptide Formation reaction.
Inorganica Chimica Acta 2004, 357, 649 - 656
Vives, M.; Eritja, R.; Tauler, R.;
Marquez, V.E.; Gargallo, R. Synthesis, Stability, and Protonation Studies of
a Self-Complementary Dodecamer Containing the Modified Nucleoside
2'-Deoxyzebularine. Biopolymers 2003, 73, 27 - 43
Gargallo, R.; Jaumot, J.; Tauler, R.;
Vives, M. Resolución de procesos ácido-base y de desnaturalización en
sistemas macromoleculares mediante métodos quimiométricos de análisis de
factores. Industria Farmacéutica 2003, octubre, 121 - 126
Gargallo, R.; Hünenberger, P.H.;
Avilés, F.X.; Oliva, B. Molecular Dynamics simulation of highly-charged
proteins: Comparison of the particle-particle particle-mesh and reaction
field methods for the calculation of electrostatic interactions. Protein
Science 2003, 12, 2161 - 2172
Jaumot, J.; Aviñó, A.; Eritja, R.;
Tauler, R.; Gargallo, R. Resolution of parallel and antiparallel
oligonucleotide triple helices formation and melting processes by
Multivariate Curve Resolution. Journal of Biomolecular Structure & Dynamics
2003, 21, 267 - 278
Jaumot, J.; Vives, M.; Gargallo, R.;
Tauler, R. Multivariate resolution of NMR labile signals by means of hard-
and soft-modelling methods. Analytica Chimica Acta 2003, 490, 253 - 264
Vives, M.; Tauler, R.; Moreno, V.;
Gargallo, R. Study of the interaction of a cis-dichloroamino- pyrrolidine Pt(II)
complex and the polynucleotide poly(I)-poly(C) by means of H-NMR and
Multivariate Curve Resolution. Analytica Chimica Acta 2001, 446, 439 - 450
Jaumot, J.; Escaja, N.; Gargallo, R.;
Gonzalez, C.; Pedroso, E.; Tauler, R. Multivariate curve resolution: a
powerful tool for the analysis of conformational transitions in nucleic
acids. Nucleic Acids Research 2002, 30, e92
Vives, M.; Tauler, R.; Gargallo, R.
Study of the influence of metal ions on tRNAPhe thermal unfolding equilibria
by UV spectroscopy and multivariate curve resolution. Journal of Inorganic
Biochemistry 2002, 89, 115 - 122
Vives, M.; Gargallo, R.; Tauler, R.
Three-way data analysis applied to speciation of acid-base and unfolding
transitions of an alternating polynucleotide. Biopolymers 2001, 59, 477 -
488
Gargallo, R.; Vives, M.; Tauler, R.;
Eritja, R. Protonation studies and multivariate curve resolution on
oligodesoxynucleotcarrying the mutagenic base 2-aminopurine. Biophysical
Journal 2001, 81, 2886 - 2896
Vives, M.; Gargallo, R.; Tauler, R.;
Moreno, V. Study of the interaction of cis-dichloro-
-(1,2-diethyl-3-aminopyrrolidine)Pt complex with poly(I), poly(C) and poly(I)-poly(C).
Journal of Biological Inorganic Chemistry 2001, 85, 279 - 290
Vives, M.; Gargallo, R.; Tauler, R.
Analytical characterization of the cooperative effects in conformational
transitions of polynucleotides by means of different molecular spectros
copies and multivariate curve resolution. Analytical Biochemistry 2001, 291,
1 - 10
Vives, M.; Gargallo, R.; Tauler, R.
Multivariate extension of the continuous variation and mole-ratio methods
for the study of the interaction of intercalators with polynucleotides.
Analytica Chimica Acta 2000, 424, 105 - 114
Gargallo, R.; Tauler, R. Introducción
al análisis de componentes principales y a la calibración multivariante y a
sus aplicaciones en el campo de la industria farmaceútica. Industria
Farmacéutica 2000, julio, 87 - 91
Gargallo, R.; Oliva, B.; Querol, E.;
Avilés, F.X. Effect of the reaction field electrostatics term on the
dynamics of the activation domain of procarboxypeptidase B. Protein
Engineering 2000, 13, 21 - 26
Gargallo, R.; Sotriffer, C.A.; Liedl,
K.R.; Rode, B.M. Application of multivariate data analysis methods to
Comparative Molecular Field Analysis (CoMFA). Proton affinities and pKa
prediction for nucleic acids components. Journal of Computer-Aided Molecular
Design 1999, 13, 611 - 623
Gargallo, R.; Tauler, R. Aplicaciones
de la Quimiometria en el ámbito de la industria química. Química e Industria
1999, 46, 511 - 514
Gargallo, R.; Tauler, R.;
Izquierdo-Ridorsa, A. Study of the protonation equilibria of a transfer
ribonucleic acid by means of a multivariate curve resolution. Quimica
Analitica 1999, 18, 73 - 81
Tauler, R.; Gargallo, R.; Vives, M.;
Izquierdo-Ridorsa, A. Resolution of temperature dependent conformational
multiequilibria processes. Chemometrics and Intelligent Laboratory Systems
1999, 46, 275 - 296
Vives, M.; Gargallo, R.; Tauler, R.
Study of the intercalation equilibria between the polynucleotide poly(ade-
nylic)-poly(uridylic) acid and the ethidium bromide dye by means of
Multivariate Curve Resolution and the multivariate extension of the con-
tinuous variation and mole-ratio methods. Analytical Chemistry 1999, 71,
4328- 4337
Kudrev, A.; Gargallo, R.;
Izquierdo-Ridorsa, A.; Tauler, R.; Casassas, E. Study of the acid-base
equilibria and conformational changes of double stranded
polyadenylic-polyuridylic acid in aqueous solution. Analytica Chimica Acta
1998, 363, 119 - 132
De Juan, A.; Izquierdo-Ridorsa, A.;
Gargallo, R.; Tauler, R.; Fondrodona, G.; Casassas, E. Three-way curve
resolution applied to the study of solvent effect on the thermodynamic and
conformational transitions related to the protonation of polycytidylic acid.
Analytical Biochemistry 1997, 249, 174 - 183
Gargallo, R.; Tauler, R.;
Izquierdo-Ridorsa, A. Application of a multivariate curve resolution
procedure to the analysis ofsecond-order melting data of synthetic and
natural polynucleotides. Analytical Chemistry 1997, 69, 1785 - 1792
Gargallo, R.; Tauler, R.;
Izquierdo-Ridorsa, A. Acid-base and copper(II) complexation equilibria of
poly(inosinic)- poly(cytidylic) acid. Biopolymers 1997, 42, 271 - 283
Izquierdo-Ridorsa, A.; Casassas, E.;
Gargallo, R.; Marqués, I.; Tauler, R. A comparative study of polyelectrolyte
effects and conformational changes in several purine and pyrimidine
homopolyribonucleotides. Reactive & Functional Polymers 1996, 28, 127 - 137
de Juan, A.; Fonrodona, G.; Gargallo,
R.; Izquierdo-Ridorsa, A.; Tauler, R.; Casassas, E. Application of a
self-modeling curve resolution approach to the study of solvent effects on
the acid-base and Cooper(II) complexing behaviour of polyuridylic acid.
Journal of Inorganic Biochemistry 1996, 63, 155 - 173
Gargallo, R.; Tauler, R.;
Izquierdo-Ridorsa, A. Influence of selectivity and polyelectrolite effects
on the performance of soft modelling and hard-modelling aproaches applied to
the study of acid-base equilibria of polyelectrolites by spectrometric
titrations. Analytica Chimica Acta 1996, 331, 195 - 205
Gargallo, R.; Cuesta-Sánchez, F.;
Massart, D.L.; Tauler, R. Validation of alternating least squares
multivariate curve resolution for the chromatographic resolution and
quantitation. Trac-Trends in Analytical Chemistry 1996, 15, 279 - 286
Gargallo, R.; Cuesta-Sánchez, F.;
Izquierdo-Ridorsa, A.; Massart, D. L. Application of Eigenstructure Tracking
Analysis and SIMPLISMA to the study of the protonation equilibria of cCMP
and several polynucleotides. Analytical Chemistry 1996, 68, 2241 - 2247
Casassas, E.; Gargallo, R.;
Izquierdo-Ridorsa, A.; Tauler, R. Application of a multivariate curve
resolution procedure to the study of the acid-base and cooper(II)
complexation equilibria of polycytidylic acid. Reactive Polymers 1995, 27, 1
- 14
Tauler, R.; Izquierdo-Ridorsa, A.;
Gargallo, R.; Casassas, E. Application of a new multivariate curve
resolution procedure to the simultaneous analysis of several spectroscopic
titrations of the copper (II)-polynosinic acid system. Chemometrics and
Intelligent Laboratory Systems 1995, 27, 163 - 174
Casassas, E.; Gargallo, R.; Giménez,
I.; Izquierdo, A.; Tauler, R. Study of the Acid-Base Behaviour and Copper (II)
Complexing Properties of Uracil- and Hypoxanthine-Derived Nucleotides in
Aqueous Solution. Journal of Inorganic Biochemistry 1994, 56, 187 - 199
Casassas, E.; Gargallo, R.; Giménez,
I.; Izquierdo-Ridorsa, A.; Tauler, R.; Application of an evolving factor
analysis-based procedure to speciation in the Copper (II) polyrudilic acid
system; Analytica Chimica Acta 1993, 283, 538 - 547
