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Advanced Data Mining Procedures Applied to Raman Spectroscopy Investigations of Interactions between Drugs and Cells.

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Publications

Discriminant analysis and feature selection in mass spectrometry imaging using constrained repeated random sampling - Cross validation (CORRS-CV)

Author(s): David Pérez-Guaita, Guillermo Quintás, Julia Kuligowski
Published in: Analytica Chimica Acta, Issue 1097, 2020, Page(s) 30-36, ISSN 0003-2670
DOI: 10.1016/j.aca.2019.10.039

Toward Rapid Screening of Liver Grafts at the Operating Room Using Mid-infrared Spectroscopy

Author(s): David Pérez-Guaita, Marta Moreno-Torres, Ramiro Jover, Eugenia Pareja, Bernhard Lendl, Julia Kuligowski, Guillermo Quintás, Jose Vicente Castell
Published in: Analytical Chemistry, Issue 92/21, 2020, Page(s) 14542-14549, ISSN 0003-2700
DOI: 10.1021/acs.analchem.0c02735

Data mining Raman microspectroscopic responses of cells to drugs in vitro using multivariate curve resolution-alternating least squares

Author(s): David Perez-Guaita, Guillermo Quintas, Zeineb Farhane, Roma Tauler, Hugh J. Byrne
Published in: Talanta, Issue 208, 2020, Page(s) 120386, ISSN 0039-9140
DOI: 10.1016/j.talanta.2019.120386

Quantification and Identification of Microproteinuria Using Ultrafiltration and ATR-FTIR Spectroscopy

Author(s): David Perez-Guaita, Zack Richardson, Philip Heraud, Bayden Wood
Published in: Analytical Chemistry, Issue 92/3, 2020, Page(s) 2409-2416, ISSN 0003-2700
DOI: 10.1021/acs.analchem.9b03081

Empirical study on the effects of acquisition parameters for FTIR hyperspectral imaging of brain tissue

Author(s): J. Sacharz, D. Perez-Guaita, Mustafa Kansiz, Shaiju S. Nazeer, A. Wesełucha-Birczyńska, S. Petratos, B. R. Wood, P. Heraud
Published in: Analytical Methods, Issue 12/35, 2020, Page(s) 4334-4342, ISSN 1759-9660
DOI: 10.1039/c9ay01200a

Multimodal vibrational studies of drug uptake in vitro: Is the whole greater than the sum of their parts?

Author(s): David Perez‐Guaita, Karolina Chrabaszcz, Kamilla Malek, Hugh J. Byrne
Published in: Journal of Biophotonics, Issue 13/12, 2020, ISSN 1864-063X
DOI: 10.1002/jbio.202000264