[62a] M. Woldegebriel, A. van Asten, A. Kloosterman, G. Vivó-Truyols, “Probabilistic peak detection in CE-LIF for STR DNA typing”, Electrophresis, 38 (2017) 1713-1723. View at publisher.

[61a] M. Lopatka, A.A. Sampat, S. Jonkers, L.A. Adutwum, H.G.J. Mol, G. van der Weg, J.J. Harynuk, P.J. Schoenmakers, A. van Asten, M.J. Sjerps, G. Vivó-Truyols, “Local Ion Signatures (LIS) for the examination of comprehensive two-dimensional gas chromatography applied to fire debris analysis”, Forensic Chemistry, 3 (2017) 1-13. View at publisher.

[60a] A. Barcaru, H.G.J. Mol, M. Tienstra, G. Vivó-Truyols, “Bayesian approach to peak deconvolution and library search for high resolution gas chromatography – Mass spectrometry”, Anal. Chim. Acta, 983 (2017) 76-90. View at publisher.

[59a] M. Navarro-Reig, J. Jaumot, A. Baglai, G. Vivó-Truyols, P.J Schoenmakers, R. Tauler, “Untargeted comprehensive two-dimensional liquid chromatography coupled with high-resolution mass spectrometry analysis of rice metabolome using multivariate curve resolution”, Anal. Chem. 89 (2017) 7675–7683. View at publisher.


[58a] M. Navarro-Reig, J. Jaumot, T.A. van Beek, G. Vivó-Truyols, R. Tauler, “Chemometric analysis of comprehensive LC×LC-MS data: Resolution of triacylglycerol structural isomers in corn oil”, Talanta, 160 (2016) 624-635. View at publisher.

[57a] M. Woldegebriel, G. Vivó-Truyols, “A new Bayesian approach for estimating the presence of a suspected compound in routine screening analysis”, Anal. Chem. 88 (2016) 9843-9849. View at publisher.

[56a] A.A.S. Sampat, M. Lopatka, G. Vivó-Truyols, P.J.Schoenmakers, A.C. van Asten “Towards chemical profiling of ignitable liquids with comprehensive two-dimensional gas chromatography: Exploring forensic application to neat white spirits”, Forensic Sci. Int. 267 (2016) 183-195. View at publisher.

[55a] A. Barcaru, E. Derks, G. Vivó-Truyols, “Bayesian peak tracking: A novel probabilistic approach to match GCxGC chromatograms”, Anal. Chim. Acta. 940 (2016) 46-45. View at publisher.

[54a] M. Woldegebriel, P. Zomer, H.G.J. Mol, G. Vivó-Truyols, “Application of Fragment Ion Information as Further Evidence in Probabilistic Compound Screening Using Bayesian Statistics and Machine Learning: A Leap Towards Automation”, Anal. Chem. 88 (2016) 7705-7714. View at publisher.

[53a] B.W.J. Pirok, S. Pous-Torres, C. Ortiz-Bolsico, G. Vivó-Truyols, P.J. Schoenmakers, “Program for the Interpretive Optimization of Two-dimensional Resolution”, J. Chromatogr. A, 1450 (2016) 29-37. View at publisher.

[52a] E. de Rijke, J.C. Schoorl, C. Cerli, H.B. Vonhof, S.J.A. Verdegaal, G. Vivó-Truyols, M. Lopatka, R. Dekter, D. Bakker, M.J. Sjerps, M. Ebskamp, C.G. de Koster, “The use of δ2H and δ18O isotopic analyses combined with chemometrics as a traceability tool for the geographical origin of bell peppers”, Food chemistry 204 (2016) 122–128. View at publisher.

[51a] A. Barcaru, G. Vivó-Truyols“On the use of Bayesian statistics for pair-wise comparison of mega-variate data sets: extracting meaningful differences between GCxGC-MS chromatograms using Jensen-Shannon divergence”, Anal. Chem., 88 (2016) 2096–2104. View at publisher.

[50a] M. Woldegebriel, J. Gonsalves, A. van Asten, G. Vivó-Truyols“Robust Bayesian Algorithm for Targeted Compound Screening in Forensic Toxicology”, Anal. Chem., 88 (2016) 2421–2430. View at publisher

[49a] M. Lopatka, A. Barcaru, M.J. Sjerps, G. Vivó-Truyols, “Leveraging probabilistic peak detection to estimate baseline drift in complex chromatographic samples”, J. Chromatogr. A, 1431 (2016) 122-130. View at publisher.

[48a] A. Sampat, M. Lopatka, M.J. Sjerps, G. Vivó-Truyols, P. Schoenmakers, A. van Asten, “The forensic potential of comprehensive two-dimensional gas chromatography”, TrAC, Trends in Analytical Chemistry, 80 (2016) 345-363. View at publisher.


[47a] B. Wouters, E. Davydova, S. Wouters, G. Vivó-Truyols, P.J. Schoenmakers, S. Eeltink “Towards ultra-hihgh peak capacities and peak-production rates using spatial three-dimensional liquid chromatography”, Lab on a Chip, 15 (2015) 4415-4422. View at publisher

[46a] M. Woldegebriel, G. Vivó-Truyols“Probabilistic model for untargeted peak detection in LC–MS using Bayesian statistics”, Anal. Chem., 87 (2015) 7345–7355. View at publisher

[45a] M. Lopatka, M.E. Sigman, M. Sjerps, M.R. Williams, G. Vivó-Truyols“Class-conditional feature modelling for ingnitable liquid classification with substantial substrate contribution in fire debris analysis”, Forensic Sci. Int., 252 (2015) 177-186. View at publisher

[44a] R.J. Vonk, S. Wouters, A. Barcaru, G. Vivó-Truyols, S. Eeltink, L.J. de Koning, P.J. Schoenmakers, “Post-polymerization photografting on methacrylate-based monoliths for separation of intact proteins and protein digests with comprehensive two-dimensional liquid chromatography hyphenated with high-resolution mass spectrometry”, Anal. Bioanal. Chem., 407 (2015) 3817-3829. View at publisher

[43a] H. Brust, M. Koeberg, A. van der Heijden, W. Wiarda, I. Mügler, M. Schrader, G. Vivó-Truyols, P.J. Schoenmakers, A. van Asten, “Isotopic and elemental profiling of ammonium nitrate in forensic explosives investigations”, Forensic Sci. Int., 248 (2015) 101–112. View at publisher


[42a] A. Barcaru, A. Anroedh-Sampat, H.-G. Janssen, G. Vivó-Truyols, “Retention time prediction in temperature-programmed, comprehensive two-dimensional gas chromatography: Modelling and error assessment”, J. Chromatogr. A, 1368 (2014) 190-198. View at publisher

[41a] M. Lopatka, G. Vivó-Truyols, M. Sjerps, “Probabilistic peak detection for first-order chromatographic data”, Anal. Chim. Acta, 817 (2014) 9-16. View at publisher


[40a] S. Peters, H.-G. Janssen, G. Vivó-Truyols, “A new method for the automated selection of the number of components for deconvolving overlapping chromatographic peaks”, Anal. Chim. Acta, 799 (2013) 29–35. View at publisher

[39a] N.A. Dang, S. Kuijper, E. Walters, M. Claassens, D. van Soolingen, G. Vivó-Truyols, H.-G.  Janssen, A.H.J. Kolk, “Validation of biomarkers for distinguishing Mycobacterium tuberculosis from non-tuberculous mycobacteria using gas chromatography-mass spectrometry and chemometrics”, PLoS ONE 8(10): e76263. doi:10.1371/journal.pone.0076263. View at publisher.

[38a] N.A. Dang, A.H.J. Kolk, S. Kuijper, H.-G. Janssen, G.Vivo-Truyols, “The identification of biomarkers differentiating Mycobacterium tuberculosis and non-tuberculous mycobacteria via thermally assisted hydrolysis and methylation gas chromatography–mass spectrometry and chemometrics”, Metabolomics, (2013) DOI 10.1007/s11306-013-0531-z. View at publisher

[37a] E. Davydova, G. Vivó-Truyols, P.J. Schoenmakers, “Study on the performance of different types of three-dimensional chromatographic systems”, J. Chromatogr. A 1271 (2013) 137-143. View at publisher


[36a] D.J.D. Vanhoutte, G. Vivó-Truyols, P.J. Schoenmakers, “Pareto-optimality study into the comparison of the separation potential of comprehensive two-dimensional liquid chromatography in the column and spatial modes”, J. Chromatogr. A, 1235 (2012) 39-48. View at publisher

[35a] G. Vivó-Truyols, “Bayesian Approach for Peak Detection in Two-Dimensional Chromatography”, Anal. Chem. 84 (2012), 2622–2630. View at publisher


[34a] S. Peters, H.G. Janssen, G. Vivó-Truyols, “Untargeted metabolite discovery in kinetic data from multi-dose intervention studies”, J. Chromatogr. A 1218 (2011), 3337-3344. View at publisher

[33a] A. Greiderer, L. Steeneken, T. Aalbers, G. Vivó-Truyols, P. Schoenmakers, “Characterization of hydroxypropylmethylcellulose (HPMC) using comprehensive two-dimensional liquid chromatography”, J. Chromatogr. A, 1218 (2011) 5787–5793. View at publisher


[32a] G. Vivó-Truyols, S. van der Wal, P.J. Schoenmakers, “Comprehensive study on the optimization of online two-dimensional liquid chromatographic systems considering losses in theoretical peak capacity in first- and second-dimensions: a Pareto-optimality approach, Anal. Chem. 82 (2010) 8525–8536. View at publisher

[31a] S. Eeltink, S. Dolman, G. Vivó-Truyols, P. Schoenmakers, R. Swart, M. Ursem, G. Desmet, “Selection of Column Dimensions and Gradient Conditions to Maximize the Peak-Production Rate in Comprehensive Off-Line Two-Dimensional Liquid Chromatography Using Monolithic Columns”, Anal. Chem. 82 (2010) 7015–7020. View at publisher

[30a] S. Peters, H.G. Janssen, G. Vivó-Truyols, “Trend analysis of time-series data: a novel method for untargeted metabolite discovery”, Anal. Chim. Acta, 663 (2010), 98-104. View at publisher

[29a] G. Vivó-Truyols, H.G. Janssen, “Probability of failure of the watershed algorithm for peak detection in comprehensive two-dimensional chromatography”, J. Chromatogr. A, 1217 (2010) 1375–1385. View at publisher

[28a] G. Vivó-Truyols, B. Staal, P.J. Schoenmakers, “Strip-based regression: a method to obtain comprehensive co-polymer architectures from Matrix-Assisted Laser Dessorption Ionisation- Mass-Spectrometry data, J. Chromatogr. A 1217 (2010) 4150-4159. View at publisher



[27a] G. Vivó-Truyols, M. Ziari, P.C.M.M. Magusin, P.J. Schoenmakers, “Effect of initial estimates and constraints selection in multivariate curve resolution—Alternating least squares. Application to low-resolution NMR data”, Anal. Chim. Acta 641 (2009) 37-45. View at publisher


[26a] E.J.C. van der Klift, G. Vivó-Truyols, F.W. Claassen, F.L. van Holthoon, T.A. van Beek, “Comprehensive two-dimensional liquid chromatography with ultraviolet, evaporative light scattering and mass spectrometric detection of triacylglycerols in corn oil”, J. Chromatogr. A  1178 (2008) 43-55. View at publisher


[25a] S.R. Wilson, M. Jankowski, M. Pepaj, A. Mihailova, F. Boix, G. Vivó-Truyols, E. Lundanes, T.  Greibrokk, “2D LC separation and determination of bradykinin in rat muscle tissue dialysate with on-line SPE-HILIC-SPE-RP-MS”, Chromatographia 66 (2007) 469-474. View at publisher

[24a] G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Alvarez-Coque, P.J. Schoenmakers, “Towards unsupervised analysis of two-dimensional data: Automated selection of number of components in multivariate curve-resolution methods”, J. Chromatogr. A, 1158 (2007), 258-272. View at publisher

[23a] S. Peters, G. Vivó-Truyols, P. Marriott, P.J. Schoenmakers, “Development of an algorithm for peak detection in comprehensive two-dimensional chromatography”, J. Chromatogr. A 1156 (2007) 14-24. View at publisher

[22a] S. Peters, G. Vivó-Truyols, P. Marriott, P.J. Schoenmakers, “Development of a resolution metric for two-dimensional chromatography”, J. Chromatogr. A. 1146 (2007), 232-241. View at publisher 

[21a] V. Concha Herrera, J.R. Torres Lapasió, G. Vivó-Truyols, M.C. García-Álvarez-Coque, “A comparative study of the performance of acetonitrile and methanol in the multi–linear gradient separation of proteic primary amino acids” Anal. Chim. Acta 582 (2007) 250-258. View at publisher


[20a] V. Concha Herrera, J.R. Torres Lapasió, G. Vivó-Truyols, M.C. García-Álvarez-Coque,  “Separation of proteic primary amino acids in several reversed phase liquid chromatographic conditions”. J. Liq. Chromatogr. & Rel. Technol. 29 (2006) 2521-2536. View at publisher 

[19a] S. Eeltink, G. Desmet, G. Vivó-Truyols, G.P. Rozing, P.J.Schoenmakers, W. Kok, “Performance limits of monolithic and packed capillary columns in high-performance liquid chromatography and capillary electrochromatography”, J. Chromatogr. A 1104 (2006) 256-262. View at publisher

[18a] G. Vivó-Truyols, P.J. Schoenmakers, “Chemical Variance: a useful tool for the interpretation and analysis of multidimensional chromatograms”, J. Chromatogr. A 1120 (2006) 273-281. View at publisher

[17a] P.J. Schoenmakers, G. Vivó-Truyols, W.M.C. Decrop, “A protocol for designing comprehensive two-dimensional liquid chromatography (LCxLC) separation systems”, J. Chromatogr. A 1120 (2006) 282-290. View at publisher

[16a] G. Vivó-Truyols, P.J. Schoenmakers, “Automatic selection of optimal Savitzky-Golay smoothing”, Anal. Chem. 78 (2006) 4598-4608. View at publisher


[15a] V. Concha-Herrera, G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Alvarez-Coque, “Limits of multi-linear gradient optimisation in reversed-phase liquid chromatography”, J. Chromatogr. A 1063 (2005) 79-88. View at publisher

[14a] G. Vivó-Truyols, J.R. Torres-Lapasió, A.M. van Nederkassel, Y. Vander Heyden, D.L. Massart, “An automated program for deconvolution of chromatographic signals. Part II: peak deconvolution”, J. Chromatogr. A 1096 (2005) 146-155. View at publisher

[13a] 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”, J. Chromatogr. A 1096 (2005) 133-145. View at publisher

[12a] G. Vivó-Truyols, V. Concha-Herrera, J.R. Torres-Lapasió, M.C. García-Alvarez-Coque, “Robust interpretive optimisation in high-performance liquid chromatography considering uncertainties in peak position”, J. Chromatogr. A 1096 (2005) 123-132. View at publisher


[11a] V. Concha-Herrera, G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Alvarez-Coque, “Enhancement of retention predictions in reversed-phase liquid chromatography using reference compounds”, Anal. Chim. Acta 518 (2004) 191-197. View at publisher

[10a] G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Alvarez-Coque, “Estimation of significant solvent concentration ranges and its application to the enhancement of the accuracy of gradient predictions”, J. Chromatogr. A 1057 (2004) 31-39. View at publisher


[9a] G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Alvarez-Coque, “Net Analite Signal as deconvolution-oriented criterion in the optimisation of chromatographic techniques”, J. Chromatogr. A 991 (2003) 47-59. View at publisher 

[8a] G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Alvarez-Coque, “Error analysis and performance of different retention models in the transference of data from/to isocratic/gradient elution”, J. Chromatogr. A 1018 (2003) 169-181. View at publisher

[7a] G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Alvarez-Coque, “Enhanced calculation of optimal gradients in reversed-phase liquid chromatography”, J. Chromatogr. A 1018 (2003) 183-196. View at publisher


[6a] G. Vivó-Truyols, J.R. Torres-Lapasió, R.D. Caballero-Farabello, M.C. García-Alvarez-Coque, “Peak deconvolution in one-dimensional chromatography using a two-way data approach”, J. Chromatogr. A 958 (2002) 35-49. View at publisher 

[5a] G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Alvarez-Coque, “Towards the Optimization of Complementary Systems in Reversed-Phase Liquid Chromatography”, Chromatographia, 56 (2002) 699-707. View at publisher


[4a] S.J. López-Grío, G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Alvarez-Coque, “Resolution assessment and performance of several organic modifiers in hybrid micellar liquid chromatography”, Anal. Chim. Acta 433 (2001) 187-198. View at publisher

[3a] G. Vivó-Truyols, J.R. Torres-Lapasió, A. Garrido-Frenich, M.C. García-Alvarez-Coque, “A hybrid algorithm with local search: II. Continuous variables: multibatch peak deconvolution”, Chemom. Intell. Lab. Syst. 59 (2001) 107-120. View at publisher 

[2a] G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Alvarez-Coque, “A hybrid algorithm with local search: I. Discrete variables: optimisation of complementary mobile phases”, Chemom. Intell. Lab. Syst. 59 (2001) 89-106. View at publisher


[1a] G. Vivó-Truyols, J.R. Torres-Lapasió, M.C. García-Alvarez-Coque, “Complementary mobile-phase optimization for resolution enhancement in high-performance liquid chromatography”, J. Chromatogr. A 876 (2000) 17-35. View at publisher