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

Publications

Peer reviewed articles (6)

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

Other (2)

"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

Non-peer reviewed articles (1)

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