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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, 1097, 2020, Page(s) 30-36, ISSN 0003-2670
Publisher: Elsevier BV
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, 92/21, 2020, Page(s) 14542-14549, ISSN 0003-2700
Publisher: American Chemical Society
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, 208, 2020, Page(s) 120386, ISSN 0039-9140
Publisher: Elsevier BV
DOI: 10.1016/j.talanta.2019.120386

Synchrotron macro ATR-FTIR microspectroscopy for high-resolution chemical mapping of single cells

Author(s): Jitraporn Vongsvivut, David Pérez-Guaita, Bayden R. Wood, Philip Heraud, Karina Khambatta, David Hartnell, Mark J. Hackett, Mark J. Tobin
Published in: The Analyst, 144/10, 2019, Page(s) 3226-3238, ISSN 0003-2654
Publisher: Royal Society of Chemistry
DOI: 10.1039/c8an01543k

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, 92/3, 2020, Page(s) 2409-2416, ISSN 0003-2700
Publisher: American Chemical Society
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, 12/35, 2020, Page(s) 4334-4342, ISSN 1759-9660
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9ay01200a

"Dataset and Data analysis ""Multimodal vibrational studies of drug uptake in vitro: Is the whole greater than the sum of their parts?"""

Author(s): DAVID PEREZ GUAITA; Hugh Byrne
Published in: Zenodo Repository, 2020
Publisher: zenodo
DOI: 10.5281/zenodo.3784974

Data set: Towards a rapid screening of liver grafts at the operating room using mid-infrared spectroscopy

Author(s): Perez-Guaita, David; Moreno-Torres, Marta; Jover, Ramiro; Pareja, Eugenia; Lendl, Bernhard; Kuligowski, Julia; Quintas, Guillermo; Castell, Jose Vicente
Published in: Zenodo Repository, 2020
Publisher: Zenodo
DOI: 10.5281/zenodo.3906954

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, 13/12, 2020, ISSN 1864-063X
Publisher: Wiley - VCH Verlag GmbH & CO. KGaA
DOI: 10.1002/jbio.202000264