- Tytuł:
- Comparability of Raman spectroscopic configurations : a large scale cross-laboratory study
- Autorzy:
-
Duponchel, Ludovic
Malherbe, Cedric
Alsamad, Fatima
Batista de Carvalho, Luis A. E.
Marques, Maria Paula M.
Piot, Olivier
Giamarellos-Bourboulis, Evangelos J.
Loza-Alvarez, Pablo
Machill, Susanne
Gardner, Peter
Rau, Julietta V.
Lendl, Bernhard
Gamulin, Ozren
Baia, Monica
Duraipandian, Shiyamala
Cuisinier, Frederic
Lyng, Fiona M.
Grysan, Patrick
Schütze, Karin
Grošev, Vlasta Mohaček
Notingher, Ioan
Kölbach, Micha
Cicchi, Riccardo
Schosserer, Markus
El-Mashtoly, Samir F.
Beleites, Claudia
Neugebauer, Ute
Chourpa, Igor
Bonnier, Franck
Gizurarson, Sveinbjorn
Penel, Guillaume
Morasso, Carlo Francesco
Untereiner, Valérie
Dahms, Marcel
Kiselev, Roman
Moreau, Myriam
Byrne, Hugh J.
Richter, Marc
Stiebing, Clara
Wieland, Karin
Aškrabić, Sonja
Afseth, Nils Kristian
Gardner, Benjamin
Krishnamoorthy, Sivashankar
Petersen, Dennis
Gerwert, Klaus
Falgayrac, Guillaume
Matuszyk, Ewelina
Muhamadali, Howbeer
Araujo-Andrade, Cuauhtemoc
Sergo, Valter
Eppe, Gauthier
Pacia, Marta
Popp, Jürgen
Sinjab, Faris
Goodacre, Royston
de Bettignies, Philippe
Kendall, Catherine
Kubryck, Patrick
Gnyba, Marcin
Bonifacio, Alois
Guntinas-Lichius, Orlando
Anand, Suresh
Helgadottir, Helga
Brauchle, Eva Maria
Avci, Ertug
Mussi, Valentina
Sockalingum, Ganesh D.
Guo, Shuxia
Abalde-Cela, Sara
Pavone, Francesco S.
Marro, Monica
Rybarczyk, Maria Krystyna
Schlücker, Sebastian
Schenke-Layland, Katja
Vanna, Renzo
Stone, Nick
Bocklitz, Thomas
Barańska, Małgorzata
Smulko, Janusz
Baria, Enrico
David, Catalina
Salehi, Hamideh
Ellis, David I.
Culha, Mustafa
Krafft, Christoph - Opis:
- The variable configuration of Raman spectroscopic platforms is one of the major obstacles in establishing Raman spectroscopy as a valuable physicochemical method within real-world scenarios such as clinical diagnostics. For such real world applications like diagnostic classification, the models should ideally be usable to predict data from different setups. Whether it is done by training a rugged model with data from many setups or by a primary-replica strategy where models are developed on a 'primary' setup and the test data are generated on 'replicate' setups, this is only possible if the Raman spectra from different setups are consistent, reproducible, and comparable. However, Raman spectra can be highly sensitive to the measurement conditions, and they change from setup to setup even if the same samples are measured. Although increasingly recognized as an issue, the dependence of the Raman spectra on the instrumental configuration is far from being fully understood and great effort is needed to address the resulting spectral variations and to correct for them. To make the severity of the situation clear, we present a round robin experiment investigating the comparability of 35 Raman spectroscopic devices with different configurations in 15 institutes within seven European countries from the COST (European Cooperation in Science and Technology) action Raman4clinics. The experiment was developed in a fashion that allows various instrumental configurations ranging from highly confocal setups to fibre-optic based systems with different excitation wavelengths. We illustrate the spectral variations caused by the instrumental configurations from the perspectives of peak shifts, intensity variations, peak widths, and noise levels. We conclude this contribution with recommendations that may help to improve the inter-laboratory studies.
- Dostawca treści:
- Repozytorium Uniwersytetu Jagiellońskiego
Artykuł