Chemometrics

Articles and chapters

M. Pérez-Baeza, L. Escuder-Gilabert, M.J. Medina-Hernández, J.J. Baeza-Baeza, M.C. García-Álvarez-Coque, “Modified Gaussian models applied to the description and deconvolution of peaks in chiral liquid chromatography”. Journal of Chromatography 1625, 461273 (2020).

J.A. Navarro-Huerta, A. Gisbert-Alonso, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Testing experimental designs in liquid chromatography (I): Development and validation of a method for the comprehensive inspection of experimental designs”. Journal of Chromatography A 1624, 461180 (2020).

J.A. Navarro-Huerta, A.G. Vargas-García, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Interpretive search of optimal isocratic and gradient separations in micellar liquid chromatography in extended organic solvent domains”, Journal of Chromatography A 1616, 460784 (2020).

J.J. Baeza-Baeza, M.C. García-Álvarez-Coque, “Extension of the linear solvent strength retention model including a parameter that describes the elution strength changes in liquid chromatography”, Journal of Chromatography A 1615, 460757 (2020).

T. Álvarez-Segura, S. López-Ureña, J.R. Torres-Lapasió, M.C. García Álvarez-Coque, “Multi-scale optimisation vs. genetic algorithms in the gradient separation of diuretics by reversed-phase liquid chromatography”. Journal of Chromatography A 1609, 460427 (2020).

J.A. Navarro Huerta, E.J. Carrasco Correa, J.R. Torres Lapasió, J.M. Herrero Martínez, M.C. García Álvarez-Coque, “Modelling retention and peak shape of small polar solutes analysed by nano-HPLC using methacrylate monolithic columns”. Analytica Chimica Acta 1086, 142‒155 (2019).

S. López-Ureña, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Enhancement in the computation of gradient retention times in liquid chromatography using root-finding methods”. Journal of Chromatography 1600, 137‒147 (2019).

J.A. Navarro-Huerta, A. Gisbert-Alonso, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Benefits of solvent concentration pulses in retention time modelling of liquid chromatography”. Journal of Chromatography A 1597, 76‒88 (2019).

J.A. Navarro-Huerta, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Estimation of peak capacity based on peak simulation”. Journal of Chromatography A 1574, 101–113 (2018).

J.R. Torres, M.C. García-Álvarez-Coque, “Liquid chromatography: Strategies for optimization”. Encyclopedia of Analytical Chemistry (edited by P.J. Worsfold, A. Townshend, C. Poole, M. Miró), Elsevier, Waltham, MA (2019). ISBN: 978-0-0810-1983-2. Also in Reference Module in Chemistry, Molecular Sciences and Chemical Engineering Series (edited by J. Reedijk).

S. López-Ureña, J.R. Torres-Lapasió, R. Donat, M.C. García-Álvarez-Coque, “Gradient design for liquid chromatography using multi-scale optimization”. Journal of Chromatography A 1534, 32–42 (2018).

T. Álvarez-Segura, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Updating chromatographic predictions by accounting ageing for single and serially-coupled columns”. Journal of Separation Science 41, 2719–2730 (2018).

J.A. Navarro-Huerta, J.R. Torres-Lapasió, S. López-Ureña, M.C. García-ÁlvarezCoque, “Assisted baseline subtraction in complex chromatograms using the BEADS algorithm”. Journal of Chromatography A 1507, 1–10 (2017).

J.A. Navarro-Huerta, T. Álvarez-Segura, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque. “Study of the performance of a resolution criterion to characterise complex chromatograms with unknowns or without standards”. Analytical Methods 9, 4293–4303 (2017).

G. Ramis-Ramos, M.C. García-Álvarez-Coque, J.A. Navarro-Huerta, “Solvent selection in liquid chromatography”. Liquid Chromatography: Fundamentals and Instrumentation, 2nd edition (edited by S. Fanali, P. Haddad, C. Poole, M.L.Riekkola), Chapter 13 (pp. 343–373. Elsevier, Amsterdam (2017). ISBN: 978-0-12-805393-5.

T. Álvarez-Segura, A. Gómez-Díaz, C. Ortiz-Bolsico, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “A chromatographic objective function to characterise chromatograms with unknown compounds or without standards available”. Journal of Chromatography A 1409, 79–88 (2015).

T. Álvarez-Segura, M.C. García-Álvarez-Coque, C. Ortiz-Bolsico, J.R. Torres-Lapasió, “Interpretive approaches to optimize serially-coupled columns in reversed-phase liquid chromatography”. Current Chromatography 2,110–121 (2015).

T. Álvarez-Segura, C. Ortiz-Bolsico, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Serial versus parallel columns using isocratic elution: A comparison of multi-column approaches in mono-dimensional liquid chromatography”. Journal of Chromatography A 1390, 95–102 (2015).

J.R. Torres-Lapasió, S. Pous-Torres, C. Ortiz-Bolsico, M.C. García-Álvarez-Coque, “Optimisation of chromatographic resolution using objective functions including both time and spectral information”. Journal of Chromatography A 1377, 75–84 (2015).

M.C. García-Álvarez-Coque, G. Ramis Ramos, J.R. Torres-Lapasió, C. Ortiz Bolsico, "Modeling the retention in reversed phase liquid chromatography". Analytical Separation Science Series (edited by J.L. Anderson, A. Berthod, A. Stalcup, V. Pino-Estévez), Volume 1 (Liquid Chromatography), Chapter 9, pp. 199‒225, Wiley-VCH, New York (2015), ISBN: 978-3-527-33374-5.

J.J. Baeza-Baeza, M.C. García Álvarez-Coque, “Some insights on the description of gradient elution in reversed phase-liquid chromatography”. Journal of Separation Science 37, 2269–2277 (2014).

C. Ortiz-Bolsico, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Optimisation of gradient elution with serially-coupled columns. Part II: Multi-linear gradients”. Journal of Chromatography A 1373, 51–60 (2014).

C. Ortiz-Bolsico, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Optimization of gradient elution with serially-coupled columns. Part I: Single linear gradients”. Journal of Chromatography A 1350, 51–60 (2014).

E. Cabo-Calvet, C. Ortiz-Bolsico J.J. Baeza-Baeza, M.C. García-Álvarez-Coque, “Description of the retention and peak profile for Chromolith columns in isocratic and gradient elution using mobile phase composition and flow rate as factors”. Chromatography (Open access) 1, 194–210 (2014).

J.J. Baeza-Baeza, F.F. Pérez-Pla, “Treatment of kinetic data”. Encyclopedia of Analytical Chemistry, Wiley, New York (2014). ISBN: 9780470027318.

J.J. Baeza-Baeza, C. Ortiz-Bolsico, M.C. García-Álvarez-Coque, “New approaches based on modified Gaussian models for describing chromatographic peaks”. Analytica Chimica Acta 758, 36–44 (2013).

C. Ortiz-Bolsico, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Simultaneous optimization of mobile phase composition, column nature and length to analyse complex samples using serially coupled columns”. Journal of Chromatography A 1314, 39–48 (2013).

J.J. Baeza-Baeza, C. Ortiz-Bolsico, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Approaches to model the retention and peak profile in linear gradient liquid chromatography”. Journal of Chromatography A 1284, 28–35 (2013).

C. Ortiz-Bolsico, J.R. Torres-Lapasió, M.J. Ruiz-Ángel, M.C. García-Álvarez-Coque, “Comparison of two serially-coupled column systems and optimization software in liquid chromatography for resolving complex mixtures”. Journal of Chromatography A 1281, 94–105 (2013).

M.C. García-Álvarez-Coque, G. Ramis-Ramos, “Solvent selection in liquid chromatography”. Liquid Chromatography: Fundamentals and Instrumentation, 1st edition (edited by S. Fanali, P. Haddad, C. Poole, P. Schoenmakers, D. Lloyd), Chapter 10 (pp. 223–249. Elsevier, Amsterdam (2013). ISBN: 978-0-12-415807-8.

L. Romero, A. Ortín, B. Monrabal, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “A new calibration method for the accurate determination of ethylene content in ethylene-propylene copolymers by CRYSTEX‑IR”. Macromolecular Symposia 312, 157–166 (2012).

A. Ortín, M.D. Romero, B. Monrabal, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Filter-based IR detectors for high temperature SEC analysis of polyolefins: calibration with a small number of standards and error analysis”. Journal of Chromatography A 1257, 66–3 (2012).

C. Ortiz Bolsico J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Approaches to find complementary separation conditions for resolving complex mixtures by high-performance liquid chromatography”. Journal of Chromatography A 1229, 180–189 (2012).

J.J. Baeza-Baeza, Y. Dávila, J.J. Fernández-Navarro, M.C. García-Álvarez-Coque, “Measurement of the elution strength and peak shape enhancement at increasing modifier concentration and temperature in RPLC”. Analytical and Bioanalytical Chemistry 404, 2973–2984 (2012).

A. Ortín-Sebastián, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “A complementary mobile phase approach based on the peak count concept oriented to the full resolution of complex mixtures”. Journal of Chromatography A 1218, 5829–5836 (2011).

J.J. Baeza-Baeza, M.C. García-Álvarez-Coque, “A theoretical plate model accounting for slow kinetics in chromatographic elution”. Journal of Chromatography A 1218, 5166–5174 (2011).

J.R. Torres-Lapasió, S. Pous-Torres, J.J. Baeza-Baeza, M.C. García-Álvarez-Coque, “Optimal experimental designs in RPLC at variable solvent content and pH based on prediction error surfaces”. Analytical and Bioanalytical Chemistry 400, 1217–1230 (2011).

A. Ortín, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Finding the best separation in situations of extremely low chromatographic resolution”. Journal of Chromatography A 1218, 2240–2251 (2011).

J.J. Baeza-Baeza, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Approaches to estimate the time and height at the peak maximum in liquid chromatography based on a modified Gaussian model”. Journal of Chromatography A 1218, 1385–1392 (2011).

S. Pous-Torres, J.R. Torres-Lapasió, M.J. Ruiz-Ángel, M.C. García-Álvarez-Coque, “Correction of the deviations in the retention times with Chromolith columns associated to the flow rate: Implications in the modelling of the retention behaviour”. Journal of Separation Science 34, 931–938 (2011).

J.J. Baeza-Baeza, S. Pous-Torres, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Approaches to characterise chromatographic column performance based on global parameters accounting for peak broadening and skewness”. Journal of Chromatography A 1217, 2147–2157 (2010).

S. Pous-Torres, J.R. Torres-Lapasió, J.J. Baeza-Baeza, M.C. García-Álvarez-Coque, “Combined effect of solvent content, temperature and pH on the chromatographic behaviour of ionisable compounds. III: Considerations about robustness”. Journal of Chromatography A 1216, 8891–8903 (2009).

S. Pous-Torres, J.R. Torres-Lapasió, J.J. Baeza-Baeza, M.C. García-Álvarez-Coque, “Alternating iterative regression method for dead time estimation from experimental designs”. Analytical and Bioanalytical Chemistry 394, 625–636 (2009).

S. Pous-Torres, J.R. Torres-Lapasió, M.J. Ruiz-Ángel, M.C. García-Álvarez-Coque, “Interpretive optimisation of organic solvent content and flow-rate in the separation of β‑blockers with a Chromolith RP–18e column”. Journal of Separation Science 32, 2793–2803 (2009).

S. Pous-Torres, J.J. Baeza-Baeza, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Peak capacity estimation in isocratic elution”. Journal of Chromatography A 1205, 78–89 (2008).

S. Pous-Torres, J.R. Torres-Lapasió, J.J. Baeza-Baeza, M.C. García-Álvarez-Coque, “Combined effect of solvent content, temperature and pH on the chromatographic behaviour of ionisable compounds. II: Benefits of the simultaneous optimisation”. Journal of Chromatography A 1193, 117–128 (2008).

J.R. Torres-Lapasió, M.J. Ruiz-Ángel, M.C. García-Álvarez-Coque, “Comparative study of solvation parameter models accounting the effects of mobile phase composition in reversed-phase liquid chromatography”. Journal of Chromatography A 1166, 85–96 (2007).

J.J. Baeza-Baeza, M.J. Ruiz-Ángel, M.C. García-Álvarez-Coque, “Prediction of peak shape in hydro‑organic and micellar-organic liquid chromatography as a function of mobile phase composition”. Journal of Chromatography A 1163, 119–127 (2007).

S. Pous-Torres, J.R. Torres-Lapasió, J.J. Baeza-Baeza, M.C. García-Álvarez-Coque, “Combined effect of solvent content, temperature and pH on the chromatographic behaviour of ionisable compounds”. Journal of Chromatography A 1163, 49–62 (2007).

G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, P.J. Schoenmakers, “Towards unsupervised analysis of second-order chromatographic data: Automated selection of number of components in multivariate curve-resolution methods”. Journal of Chromatography A 1158, 258–272 (2007).

J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Levels in the interpretive optimisation of selectivity in high-performance liquid chromatography: A magical mystery tour”(review). Journal of Chromatography A 1120, 308–321 (2006).

M.C. García-Álvarez-Coque, J.R. Torres-Lapasió, J.J. Baeza-Baeza, “Models and objective functions for the optimisation of selectivity in reversed-phase liquid chromatography” (review). Analytica Chimica Acta 579, 125–145 (2006).

M.C. García-Álvarez-Coque, E.F. Simó-Alfonso, J.M. Sanchis-Mallols, J.J. Baeza-Baeza, “A new mathematical function for describing electrophoretic peaks”. Electrophoresis 26, 2076–2085 (2005).

J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, E. Bosch, M. Rosés, “Considerations on the modelling and optimisation of resolution of ionisable compounds in extended pH-range columns”. Journal of Chromatography A 1089, 170–186 (2005).

V. Concha-Herrera, G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Limits of multi-linear gradient optimisation in reversed-phase liquid chromatography”. Journal of Chromatography A 1063, 79–88 (2005).

G. Vivó-Truyols, J.R. Torres-Lapasió, A.M. van Nederkassel, Y. vander Heyden, D.L. Massart, “Automatic program for peak detection and deconvolution of multi–overlapped chromatographic signals. Part II: Peak model and deconvolution algorithms”. Journal of Chromatography A 1096, 146–155 (2005).

G. Vivó-Truyols, J.R. Torres-Lapasió, A.M. van Nederkassel, Y. vander Heyden, D.L. Massart, “Automatic program for peak detection and deconvolution of multi–overlapped chromatographic signals. Part I: Peak detection”. Journal of Chromatography A 1096, 133–145 (2005).

G. Vivó-Truyols, V. Concha-Herrera, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Robust interpretive optimisation in high-performance liquid chromatography considering uncertainties in peak position”. Journal of Chromatography A 1096, 123–132 (2005).

G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Estimation of significant solvent concentration ranges and its application to the enhancement of the accuracy of gradient predictions”. Journal of Chromatography A 1057, 31–39 (2004).

V. Bernabé-Zafón, J.R. Torres-Lapasió, S. Ortega Gadea, E.F. Simó-Alfonso, G. Ramis-Ramos, “Resolution of overlapped non–absorbing and absorbing solutes using either an absorption null‑balance detection window or multivariate deconvolution applied to capillary electrophoresis of anionic surfactants”. Journal of Chromatography A 1036, 205–216 (2004).

M.J. Ruiz-Ángel, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Effect of pH and the presence of micelles on the resolution of diuretics by reversed-phase liquid chromatography”. Journal of Chromatography A 1022, 51–65 (2004).

J.J. Baeza-Baeza, M.C. García-Álvarez-Coque, “Prediction of peak shape as a function of retention in reversed-phase liquid chromatography”. Journal of Chromatography A 1022, 17–24 (2004).

J.J. Baeza-Baeza, M.C. García-Álvarez-Coque, “Some observations on the prediction of retention in reversed-phase liquid chromatography using the pH as main factor”. Analytica Chimica Acta 521, 61–68 (2004).

V. Concha-Herrera, G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Enhancement of retention predictions in reversed-phase liquid chromatography using reference compounds”. Analytica Chimica Acta 518, 191–197 (2004).

J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, M. Rosés, E. Bosch, A.M. Zissimos, M.H. Abraham, “Analysis of a solute polarity parameter in reversed-phase liquid chromatography on a linear solvation relationship basis”. Analytica Chimica Acta 515, 209–227 (2004).

J.J. Baeza-Baeza, G. Ramis-Ramos, “Analysis of the sensitivity to the systematic error in least‑squares regression models”. Analytica Chimica Acta 515, 15–21 (2004).

G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Enhanced calculation of optimal gradient programs in reversed-phase liquid chromatography”. Journal of Chromatography A 1018, 183–196 (2003).

G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Error analysis and performance of different retention models in the transference of data from/to isocratic/gradient elution”. Journal of Chromatography A 1018, 169–181 (2003).

G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Net analyte signal as a deconvolution-oriented resolution criterion in the optimisation of chromatographic techniques”. Journal of Chromatography A 991, 47–59 (2003).

R. Bosque, J. Sales, E. Bosch, M. Rosés, M.C. García-Álvarez-Coque, J.R. Torres-Lapasió, “A QSPR study of the p solute polarity parameter to estimate retention in HPLC”. Journal of Chemical Information and Computer Sciences 43, 1240–1247 (2003).

E. Fuguet, C. Ràfols, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, E. Bosch, M. Rosés, “Solute‑solvent interactions in micellar electrokinetic chromatography. 6. Optimization of the selectivity of lithium dodecyl sulfate-lithium perfluorooctanesulfonate mixed micellar buffers”. Analytical Chemistry 74, 4447–4455 (2002).

G. Vivó-Truyols, J.R. Torres-Lapasió, R.D. Caballero, M.C. García-Álvarez-Coque, “Peak deconvolution in one-dimensional chromatography using a two-way data approach”. Journal of Chromatography A 958, 35–49 (2002).

J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, M. Rosés, E. Bosch, “Prediction of the retention in reversed-phase liquid chromatography using solute-mobile phase-stationary phase polarity parameters”. Journal of Chromatography A 955, 19–34 (2002).

R.D. Caballero, M.C. García-Álvarez-Coque, J.J. Baeza-Baeza, “Parabolic-Lorentzian modified Gaussian model for describing and deconvolving chromatographic peaks”. Journal of Chromatography A 954, 59–76 (2002).

G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Towards the optimization of complementary systems in reversed-phase liquid chromatography”. Chromatographia 56, 699–707 (2002).

A. Detroyer, Y. vander Heyden, S. Carda-Broch, M.C. García-Álvarez-Coque, D.L. Massart, “Quantitative structure-retention and retention-activity relationships of b-blocking agents by micellar liquid chromatography”. Journal of Chromatography A 912, 211–221 (2001).

S.J. López-Grío, G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Resolution assessment and performance of several organic modifiers in hybrid micellar liquid chromatography”. Analytica Chimica Acta 433, 187–198 (2001).

R.D. Caballero, S.J. López-Grío, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Single-peak resolution criteria for optimization of mobile phase composition in liquid chromatography”. Journal of Liquid Chromatography and Related Technologies 24, 1895–1919 (2001).

G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “A hybrid genetic algorithm with local search. I. Discrete variables: Optimisation of complementary mobile phases”. Chemometrics and Intelligent Laboratory Systems 59, 89–106 (2001).

G. Vivó-Truyols, J.R. Torres-Lapasió, A. Garrido-Frenich, M.C. García-Álvarez-Coque, “A hybrid genetic algorithm with local search. II. Continuous variables: Multibatch peak deconvolution”. Chemometrics and Intelligent Laboratory Systems 59, 107–120 (2001).

J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, J.J. Baeza-Baeza, “Modelling and optimisation strategies in reversed-phase liquid chromatography”. Recent Research Developments in Pure and Applied Analytical Chemistry, 3, pp. 169–184 (2001), Transworld Research Network, Trivandrum (India). ISBN: 81-86846-97-2.

J.R. Torres-Lapasió, M. Rosés, E. Bosch, M.C. García-Álvarez-Coque, “Interpretive optimisation strategy applied to the isocratic separation of phenols by reversed-phase liquid chromatography with acetonitrile-water and methanol-water mobile phases”. Journal of Chromatography A 886, 31–46 (2000).

G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Complementary mobile-phase optimisation for resolution enhancement in high-performance liquid chromatography”. Journal of Chromatography A 876, 17–35 (2000).

A. Garrido-Frenich, M. Martínez-Galera, J.L. Martínez-Vidal, D.L. Massart, J.R. Torres-Lapasió, K. de Braekeleer, Ji-Hong Wang, P.K. Hopke, “Resolution of multicomponent peaks by orthogonal projection approach, positive matrix factorization and alternating least squares”. Analytica Chimica Acta 411, 145–155 (2000).

K. de Braekeleer, J.R. Torres-Lapasió, D.L. Massart, “Improved purity assessment of high‑performance liquid chromatography diode array detection data for overcoming the presence of the non‑linearity artefact”. Chemometrics and Intelligent Laboratory Systems 52, 45–59 (2000).

J.R. Torres-Lapasió, D.L. Massart, J.J. Baeza-Baeza, M.C. García-Álvarez-Coque, “A three-factor optimisation strategy for micellar liquid chromatography”. Chromatographia 51, 101– 110 (2000).

M. Arhoun, E. Barreno, S. Fos, J.R. Torres-Lapasió, G. Ramis-Ramos, “Injury symptoms and releasing rates of inorganic ions from pine needles as indicators of atmospheric pollution in the Canary Islands forests”. Water, Air and Soil Pollution 117, 105–122 (2000).

J.J. Baeza-Baeza, F.F. Pérez-Pla, “Data treatment and error analysis in kinetics”. Encyclopedia of Analytical Chemistry, pp. 11095–11115 (2000).

A. Garrido-Frenich, J.R. Torres-Lapasió, K. de Braekeleer, D.L. Massart, J.L. Martínez-Vidal, M. Martínez-Galera, “Application of several modified peak purity assays to real complex multicomponent mixtures by high-performance liquid chromatography with diode-array detection”. Journal of Chromatography A 855, 487–499 (1999).

S. Carda-Broch, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, “Evaluation of several global resolution functions for liquid chromatography”. Analytica Chimica Acta 396, 61–74 (1999).

S. López-Grío, J.J. Baeza-Baeza, M.C. García-Álvarez-Coque, “Modelling of the elution behaviour in hybrid micellar eluents with different organic modifiers”. Analytica Chimica Acta 381, 275–285 (1999).

J.R. Torres-Lapasió, J.J. Baeza-Baeza, M.C. García-Álvarez-Coque, “A model for the description, simulation and deconvolution of skewed chromatographic peaks”. Analytical Chemistry 69, 3822–3831 (1997).

J.R. Torres-Lapasió, J.J. Baeza-Baeza, M.C. García-Álvarez-Coque, “Description of the retention behaviour in micellar liquid chromatography as a function of pH, surfactant and modifier concentration”. Journal of Chromatography A 769, 155–168 (1997).

J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, J.J. Baeza-Baeza, “Global treatment of chromatographic data with MICHROM”. Analytica Chimica Acta 348, 187–196 (1997).

M.C. García-Álvarez-Coque, J.R. Torres-Lapasió, J.J. Baeza-Baeza, “Description of the partitioning behaviour of solutes and data treatment in micellar liquid chromatography with modifiers”. Analytica Chimica Acta 324, 163–173 (1996).

Y.L. Xie, J.J. Baeza-Baeza, G. Ramis-Ramos, “A comparative study of several chemometric methods applied to the treatment of two way kinetic-spectral data for mixture resolution”. Analytica Chimica Acta 321, 75–95 (1996).

Y.L. Xie, J.J. Baeza-Baeza, G. Ramis-Ramos, “Second-order tensorial calibration for kinetic spectrophotometric determination”. Chemometrics and Intelligent Laboratory Systems 32, 215–232 (1996).

J.J. Baeza-Baeza, G. Ramis-Ramos, “A series expansion of the extended Debye-Hückel equation and application to linear prediction of stability constants”. Talanta 43, 1579–1587 (1996).

Y.L. Xie, J.J. Baeza-Baeza, G. Ramis-Ramos, “Asessment of peak purity in liquid chromatography using condition index and singular value evolving profiles”. Analytica Chimica Acta 317, 17–32 (1995).

J.J. Baeza-Baeza, G. Ramis-Ramis, “Reduction of the relative standard deviation in the least‑squares fitting of linearized equations by using sensitivity weights”. Analytica Chimica Acta 316, 173–184 (1995).

Y.L. Xie, J.J. Baeza-Baeza, G. Ramis-Ramos, “Kinetic-spectrophotometric resolution of binary mixtures using three-way partial least squares”. Chemometrics and Intelligent Laboratory Systems 27, 211–220 (1995).

Y.L. Xie, J.J. Baeza-Baeza, J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, G. Ramis-Ramos, “Modelling and prediction of retention in high-performance liquid chromatography by using neural networks”. Chromatographia 41, 435–444 (1995).

J.R. Torres-Lapasió, M.J. Medina-Hernández, R.M. Villanueva-Camañas, M.C. García-Álvarez-Coque, “Description of the retention behaviour of solutes in micellar liquid chromatography with organic modifiers: Comparison of two methods”. Chromatographia 40, 279–286 (1995).

J.R. Torres-Lapasió, R.M. Villanueva-Camañas, J.M. Sanchis-Mallols, M.J. Medina-Hernández, M.C. García-Álvarez-Coque, “Interpretive strategy for optimization of surfactant and alcohol concentration in micellar liquid chromatography”. Journal of Chromatography A 677, 239–253 (1994).

G. Ramis-Ramos, J.J. Baeza-Baeza, E.F. Simó-Alfonso, “A model for optical saturation thermal lens spectrometry”. Analytica Chimica Acta 296, 107–113 (1994).

J.R. Torres-Lapasió, R.M. Villanueva-Camañas, J.M. Sanchis-Mallols, M.J. Medina-Hernández, M.C. García-Álvarez-Coque, “Modelling of the retention behaviour of solutes in micellar liquid chromatography with organic modifiers”. Journal of Chromatography 639, 87–96 (1993).

J.J. Baeza-Baeza, K. Matsumoto, H.A. Mottola, “Comparative studies on data collection and data treatment in kinetic-based determinations with two rotating bioreactor/amperometric detection systems”. Analytica Chimica Acta 283, 785–793 (1993).

J.J. Baeza-Baeza, G. Ramis-Ramos, C. Mongay-Fernández, “Pointwise resolutive significance of data and applications in experimental design and data treatment”. Analytica Chimica Acta 266, 133–143 (1992).

J.J. Baeza-Baeza, F. Pérez-Pla, G. Ramis-Ramos, “On the integration of kinetic models using a higher-order Taylor series method”. Journal of Chemometrics 6, 231–246 (1992).

J.J. Baeza-Baeza, F. Pérez-Pla, G. Ramis-Ramos, “A stiffness-adaptive Taylor method for the integration of non-stiff and stiff kinetic models”. Journal of Computational Chemistry 13, 810–820 (1992).

F. Pérez-Pla, J.J. Baeza-Baeza, G. Ramis-Ramos, J. Palou, “OPKINE, a multipurpose program for kinetics”. Journal of Computational Chemistry 12, 283–291 (1991).

F. Pérez-Pla, R. Valero-Molina, J.J. Baeza-Baeza, G. Ramis-Ramos, “OPKINE: Non-linear analysis of kinetic data. User's guide”. Quantum Chemistry Program Exchange Bulletin Agosto (1991).

J.J. Baeza-Baeza, G. Ramis-Ramos, C. Mongay-Fernández, “Information content of data and variables and types of weighing in least-squares regression analysis”. Analytica Chimica Acta 237, 473–484 (1990).

J.J. Baeza-Baeza, G. Ramis-Ramos, F. Pérez Pla, R. Valero-Molina, “Multi-component analysis using OPKINE, a program for the non-linear treatment of kinetic problems”. Analyst 115, 721–724 (1990).

F.J. Andrés Alemany, J.J. Baeza-Baeza, “Simulation model for a textil industry”. Confección española, revista técnica de las industrias del vestir Marzo/Abril, 78–86 (1990).

J.J. Baeza-Baeza, G. Ramis-Ramos, C. Mongay-Fernández, “Comparative study of several programs used in the potentiometric evaluation of equilibrium constants including an error sensitivity analysis”. Analytica Chimica Acta 223, 419–427 (1989).

G. Ramis-Ramos, M.C. García-Álvarez-Coque, “Examination of the least-squares method applied to the evaluation of physicochemical parameters with linearized equations”. Analytica Chimica Acta 220, 145–153 (1989).

G. Ramis-Ramos, M.C. García-Álvarez-Coque, “Experimental errors, sampling theory and significance assays”. Cuadernos de Ciencias y Técnicas ambientales, Serie Química Analítica 1, pp. 1−36 (edited by M. Blanco, V. Cerdá), Publicacions de la Universitat Autònoma de Barcelona, Bellaterra, 1988. ISBN: 0‑12-764100-9.

G. Ramis-Ramos, M.C. García-Álvarez-Coque, R.M. Villanueva-Camañas, C. Mongay-Fernández, “Spectrophotometric determination of binary mixtures of compounds with very close absorption maxima”. Spectrochimica Acta Part A 42, 771–774 (1986).

G. Ramis-Ramos, R. Ibáñez-Tomás, M.C. García-Álvarez-Coque, C. Mongay-Fernández, “Thermometric determination of reaction enthalpies using a polypropylene cell in an isothermic air bath”. Thermochimica Acta 98, 213–219 (1986).

C. Mongay-Fernández, M.C. García-Álvarez-Coque, G. Ramis-Ramos, “Error propagation in the spectrophotometric determination of protonation constants in monoprotic systems”. Química Analítica 4, 378–386 (1985).

M.C. García, G. Ramis, C. Mongay, “A comparative study of the application of the method of least‑squares in the potentiometric determination of protonation constants”. Talanta 29, 435–439 (1982).

M.C. García, G. Ramis, C. Mongay, “Spectrophotometric determination of protonation constants of monoprotic systems in strong acid and strong basic media”. Spectrochimica Acta Part A 38, 1005–1009 (1982).

C. Mongay, G. Ramis, M.C. García, “A critical study of the linear least-squares method applied to the spectrophotometric determination of protonation constants of diprotic acids”. Spectrochimica Acta Part A 38, 247–252 (1982).

C. Mongay, M.C. García, G. Ramis, “Calculation of neutralization enthalpies from thermometric titrations of diprotic and triprotic acids using a linear least-squares method”. Thermochimica Acta 56, 307–323 (1982).

Book

G. Ramis-Ramos, M.C. García-Álvarez-Coque, "Quimiometría (Chemometrics)". Serie Biblioteca de Química, Síntesis, Madrid, 2001 (Vol. 1, 238 pages, ISBN: 84-7738-904-7).

Book chapters

J.J. Baeza-Baeza, F.F. Pérez-Pla, “Treatment of kinetic data”. Encyclopedia of Analytical Chemistry, Wiley, New York (2014). ISBN: 9780470027318.

J.R. Torres-Lapasió, M.C. García-Álvarez-Coque, J.J. Baeza-Baeza, “Modelling and optimisation strategies in reversed-phase liquid chromatography”. Recent Research Developments in Pure and Applied Analytical Chemistry, 3, pp. 169–184 (2001), Transworld Research Network, Trivandrum (India). ISBN: 81-86846-97-2.

J.J. Baeza-Baeza, F.F. Pérez-Pla, “Data treatment and error analysis in kinetics”. Encyclopedia of Analytical Chemistry, pp. 11095–11115 (2000).

G. Ramis-Ramos, M.C. García-Álvarez-Coque, “Experimental errors, sampling theory and significance assays”. Cuadernos de Ciencias y Técnicas ambientales, Serie Química Analítica 1, pp. 1−36 (edited by M. Blanco and V. Cerdá), Publicacions de la Universitat Autònoma de Barcelona, Bellaterra (1988). ISBN: 0-12-764100-9.

Software

J.R. Torres-Lapasió, “MICHROM Software” in “Micellar Liquid Chromatography” (Serie Chromatographic Science), (Appendix I and CD–ROM), Marcel Dekker, New York, 2000. ISBN: 0-8247-9993-3.