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5. Artificial neural network for high-throughput spectral data processing in LIBS imaging: application to archaeological mortar

Author

Herreyre, N., primary, Cormier, A., additional, Hermelin, S., additional, Oberlin, C., additional, Schmitt, A., additional, Thirion-Merle, V., additional, Borlenghi, A., additional, Prigent, D., additional, Coquidé, C., additional, Valois, A., additional, Dujardin, C., additional, Dugourd, P., additional, Duponchel, L., additional, Comby-Zerbino, C., additional, and Motto-Ros, V., additional

Published
2023
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7. Robust variable selection in the framework of classification with label noise and outliers: Applications to spectroscopic data in agri-food

Author

Cappozzo, A, Duponchel, L, Greselin, F, Murphy, T, Cappozzo A., Duponchel L., Greselin F., Murphy T. B., Cappozzo, A, Duponchel, L, Greselin, F, Murphy, T, Cappozzo A., Duponchel L., Greselin F., and Murphy T. B.

Abstract

Classification of high-dimensional spectroscopic data is a common task in analytical chemistry. Well-established procedures like support vector machines (SVMs) and partial least squares discriminant analysis (PLS-DA) are the most common methods for tackling this supervised learning problem. Nonetheless, interpretation of these models remains sometimes difficult, and solutions based on feature selection are often adopted as they lead to the automatic identification of the most informative wavelengths. Unfortunately, for some delicate applications like food authenticity, mislabeled and adulterated spectra occur both in the calibration and/or validation sets, with dramatic effects on the model development, its prediction accuracy and robustness. Motivated by these issues, the present paper proposes a robust model-based method that simultaneously performs variable selection, outliers and label noise detection. We demonstrate the effectiveness of our proposal in dealing with three agri-food spectroscopic studies, where several forms of perturbations are considered. Our approach succeeds in diminishing problem complexity, identifying anomalous spectra and attaining competitive predictive accuracy considering a very low number of selected wavelengths.

Published
2021

13. Robust classification of spectroscopic data in agri-food: first analysis on the stability of results

Author

Porzio, GC, Rampichini, C, Bocci, C, Cappozzo, A, Duponchel, L, Greselin, F, Murphy Thomas, B, Cappozzo Andrea, Duponchel Ludovic, Greselin Francesca, Murphy Thomas Brendan, Porzio, GC, Rampichini, C, Bocci, C, Cappozzo, A, Duponchel, L, Greselin, F, Murphy Thomas, B, Cappozzo Andrea, Duponchel Ludovic, Greselin Francesca, and Murphy Thomas Brendan

Abstract

We investigate here the stability of the obtained results of a variable selection method recently introduced in the literature, and embedded into a model-based classification framework. It is applied to chemometric data, with the purpose of selecting a few wavenumbers (of the order of tens) among the thousands measured ones, to build a (robust) decision rule for classification. The robust nature of the method safeguards it from potential label noise and outliers, which are particularly dangerous in the field of food-authenticity studies. As a by-product of the learning process, samples are grouped into similar classes, and anomalous samples are also singled out. Our first results show that there is some variability around a common pattern in the obtained selection.

Published
2021

16. Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory Study

Author

Guo, S. Beleites, C. Neugebauer, U. Abalde-Cela, S. Afseth, N.K. Alsamad, F. Anand, S. Araujo-Andrade, C. Aškrabić, S. Avci, E. Baia, M. Baranska, M. Baria, E. Batista De Carvalho, L.A.E. De Bettignies, P. Bonifacio, A. Bonnier, F. Brauchle, E.M. Byrne, H.J. Chourpa, I. Cicchi, R. Cuisinier, F. Culha, M. Dahms, M. David, C. Duponchel, L. Duraipandian, S. El-Mashtoly, S.F. Ellis, D.I. Eppe, G. Falgayrac, G. Gamulin, O. Gardner, B. Gardner, P. Gerwert, K. Giamarellos-Bourboulis, E.J. Gizurarson, S. Gnyba, M. Goodacre, R. Grysan, P. Guntinas-Lichius, O. Helgadottir, H. Grošev, V.M. Kendall, C. Kiselev, R. Kölbach, M. Krafft, C. Krishnamoorthy, S. Kubryck, P. Lendl, B. Loza-Alvarez, P. Lyng, F.M. Machill, S. Malherbe, C. Marro, M. Marques, M.P.M. Matuszyk, E. Morasso, C.F. Moreau, M. Muhamadali, H. Mussi, V. Notingher, I. Pacia, M.Z. Pavone, F.S. Penel, G. Petersen, D. Piot, O. Rau, J.V. Richter, M. Rybarczyk, M.K. Salehi, H. Schenke-Layland, K. Schlücker, S. Schosserer, M. Schütze, K. Sergo, V. Sinjab, F. Smulko, J. Sockalingum, G.D. Stiebing, C. Stone, N. Untereiner, V. Vanna, R. Wieland, K. Popp, J. Bocklitz, T.

Abstract

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. © 2020 American Chemical Society.

Published
2020

20. Neighbouring pixel data augmentation: Fusing spectral and spatial information for hyperspectral imaging data analysis

Author

Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL)-Institut de Chimie du CNRS (INC)-Université de Lille, Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2017

23. Finding a simple way to fuse spectral and spatial information for hyperspectral imaging data analysis

Author

Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL)-Institut de Chimie du CNRS (INC)-Université de Lille, Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2017

24. Single bacteria identification by Raman spectroscopy and topological data analysis

Author

Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2016

25. Chemometrics pushing back the limits in molecular spectroscopy

Author

Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2016

26. When MCR-ALS pushes back the limits of instrumentation

Author

Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2016

27. Chapter 15 - Super-resolution in vibrational spectroscopy: From multiple low-resolution images to high-resolution

Author

Offroy, M., Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Super-resolution Spectroscopic imaging Near-infrared spectroscopy Mid-infrared spectroscopy Raman spectroscopy
Abstract

International audience; Imaging spectroscopy is a key tool in analytical chemistry. Although spatial molecular characterization is achieved for many applications, it often fails to produce chemical images of micron size samples as needed in chemical, environmental, and biological analysis. The aim of this chapter is thus to introduce the potential of super-resolution in vibrational spectroscopic imaging. This new approach uses several low-resolution images of the same sample observed from different angles in order to generate a higher-resolution chemical image. It is thus possible to overcome in a certain way some physical and instrumental limitations. However, we will see that Multivariate Curve Resolution methods (see Chapter 2) have to be applied prior to super-resolution when complex samples are explored.

Published
2016
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28. Exploring bacteria strains with Raman spectroscopy and topological data analysis

Author

Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2016

29. Multivariate resolution of carbonaceous Raman broad bands: A novel approach

Author

Simonetti, R., Choël, M., Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2015

30. Topological data analysis: A new tool for big data exploration

Author

Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2015

31. Combined use of TEM/EDX, microRaman and AFM for characterizing single atmospheric particles

Author

Choël, M., Unga, F., Simonetti, R., Derimian, Y., Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), Laboratoire d’Optique Atmosphérique - UMR 8518 (LOA), Institut national des sciences de l'Univers (INSU - CNRS)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2015

32. When Chemometrics pushes back the limits of instrumentation: The super-resolution concept in spectroscopic imaging

Author

Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2015

33. Mise en évidence de contraintes liées au suivi de bioprocédé par spectrométrie Raman et chimiométrie

Author

André, S., Devos, O., Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2015

34. Topological data analysis: A new tool for data exploration

Author

Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2015

35. On-line prediction of antibody titer by Raman spectroscopy and chemometrics

Author

André, S., Devos, O., Calvosa, E., Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), Sanofi Pasteur [Marcy-l'Étoile, France], and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2015

36. Metal-induced malformations in early Palaeozoic plankton are harbingers of mass extinction

Author

Vandenbroucke, T.R.A., Emsbo, P., Munnecke, A., Nuns, N., Duponchel, L., Lepot, K., Quijada, M., Paris, F., Servais, T., Kiessling, W., Department of Geology and Soil Sciences, Universiteit Gent = Ghent University [Belgium] (UGENT), Évolution, Écologie et Paléontologie (Evo-Eco-Paleo) - UMR 8198 (Evo-Eco-Paléo), Université de Lille-Centre National de la Recherche Scientifique (CNRS), US Geological Survey [Denver], United States Geological Survey [Reston] (USGS), Institute of Palaeontology, Friedrich-Alexander Universität Erlangen-Nürnberg (FAU), Institut Michel Eugène Chevreul - FR 2638 (IMEC), Université d'Artois (UA)-Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Centrale Lille Institut (CLIL), Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL), Laboratoire d’Océanologie et de Géosciences (LOG) - UMR 8187 (LOG), Centre National de la Recherche Scientifique (CNRS)-Université du Littoral Côte d'Opale (ULCO)-Université de Lille-Institut national des sciences de l'Univers (INSU - CNRS), Géosciences Rennes (GR), Centre National de la Recherche Scientifique (CNRS)-Observatoire des Sciences de l'Univers de Rennes (OSUR)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES), Museum of Natural History, Humboldt-Universität zu Berlin, Universiteit Gent = Ghent University (UGENT), Évolution, Écologie et Paléontologie (Evo-Eco-Paleo) - UMR 8198 (Evo-Eco-Paléo (EEP)), Université d'Artois (UA)-Centrale Lille-Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), Institut national des sciences de l'Univers (INSU - CNRS)-Université du Littoral Côte d'Opale (ULCO)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD [France-Nord]), Université de Rennes (UR)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire des Sciences de l'Univers de Rennes (OSUR), Université de Rennes (UR)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Rennes 2 (UR2)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Rennes 2 (UR2)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Centre National de la Recherche Scientifique (CNRS), Humboldt University Of Berlin, Ghent University [Belgium] (UGENT), University of Erlangen, Institut Chevreul FR2638, Université de Lille, Sciences et Technologies-Institut National de la Recherche Agronomique (INRA)-Centre National de la Recherche Scientifique (CNRS)-Ecole Centrale de Lille-Ecole Nationale Supérieure de Chimie de Lille (ENSCL)-Université d'Artois (UA)-Université de Lille, Droit et Santé, Laboratoire de Spectrochimie Infrarouge et Raman - UMR 8516 (LASIR), Centre National de la Recherche Scientifique (CNRS)-Université de Lille, Université du Littoral Côte d'Opale-Université de Lille-Centre National de la Recherche Scientifique (CNRS), Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire des Sciences de l'Univers de Rennes (OSUR)-Centre National de la Recherche Scientifique (CNRS), and Humboldt Universität zu Berlin

Subjects
RARE-EARTH-ELEMENTS, BIOSTRATIGRAPHY, Palaeontology, fungi, ACRITARCHS, NORTH-AMERICA, social sciences, Biogeochemistry, At a glance, CONTAMINATION, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Earth sciences, HEAVY-METALS, POLLUTION, Earth and Environmental Sciences, Geology and geophysics, DEFORMITIES, WESTERN LIBYA, CHESAPEAKE BAY, geographic locations
Abstract

Glacial episodes have been linked to Ordovician–Silurian extinction events, but cooling itself may not be solely responsible for these extinctions. Teratological (malformed) assemblages of fossil plankton that correlate precisely with the extinction events can help identify alternate drivers of extinction. Here we show that metal poisoning may have caused these aberrant morphologies during a late Silurian (Pridoli) event. Malformations coincide with a dramatic increase of metals (Fe, Mo, Pb, Mn and As) in the fossils and their host rocks. Metallic toxins are known to cause a teratological response in modern organisms, which is now routinely used as a proxy to assess oceanic metal contamination. Similarly, our study identifies metal-induced teratology as a deep-time, palaeobiological monitor of palaeo-ocean chemistry. The redox-sensitive character of enriched metals supports emerging ‘oceanic anoxic event’ models. Our data suggest that spreading anoxia and redox cycling of harmful metals was a contributing kill mechanism during these devastating Ordovician–Silurian palaeobiological events.

Published
2015
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39. The super-resolution concept: Pushing the limits of hyperspectral spectroscopic imaging

Author

Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2014

40. La chimiométrie aux frontières du domaine proche infrarouge : explorer sans a priori les données spectroscopiques Raman, moyen infrarouge et térahertz

Author

Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2014

41. Topological data analysis: Data has shape and shape has meaning

Author

Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2014

42. La chimiométrie : explorer sans a priori les données expérimentales et repousser les limites de nos instrumentations

Author

Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2014

43. Chemometrics as a tool to explore hydration shell of molecules with terahertz spectroscopy in a microfluidic device

Author

Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2014

44. 2. Chemometric tools for image analysis

Author

Juan, A. De, Piqueras, S., Maeder, M., Hancewicz, T., Duponchel, L., Tauler, R., Chemometrics Group, Department of Analytical Chemistry, Universitat de Barcelona (UB), Institute of Environmental Assessment and Water Research (IDAEA), Consejo Superior de Investigaciones Científicas [Madrid] (CSIC), Department of Chemistry, University of Newcastle [Australia] (UoN), Unilever Research & Development, Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL), University of Newcastle [Callaghan, Australia] (UoN), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, MIA, hyperspectral image analysis, image resolution/unmixing, image segmentation
Abstract

International audience; The chapter deals about chemometric methods to handle the hyperspectral image measurement. All of them are multivariate in nature, i.e., can work with the full spectra of the image, and are devoted to different tasks, such as exploration. calibration, segmentation and resolution ro unmixing.

Published
2014
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45. Super-resolution and hyperspectral imaging: from multiple low resolution images to a high resolution image

Author

Duponchel, L., Offroy, M., Piqueras, S., de Juan, A., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL), Chemometrics Group, Department of Analytical Chemistry, Universitat de Barcelona (UB), Institute of Environmental Assessment and Water Research (IDAEA), Consejo Superior de Investigaciones Científicas [Madrid] (CSIC), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2013

46. The super-resolution concept for near infrared chemical imaging (NIR-CI)

Author

Offroy, M., Roggo, Y., Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2013

47. Improving spatial resolution of hyperspectral images: the super-resolution concept

Author

Duponchel, L., Offroy, M., Piqueras, S., de Juan, A., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL), Chemometrics Group, Department of Analytical Chemistry, Universitat de Barcelona (UB), Institute of Environmental Assessment and Water Research (IDAEA), Consejo Superior de Investigaciones Científicas [Madrid] (CSIC), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2013

48. Exploring Raman spectral data using chemometrics

Author

Duponchel, L., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2013

49. Chemometrics for Process Understanding

Author

De Juan, A., Jaumot, J., Mas, S., Piqueras, S., Duponchel, L., Igne, B., Andersson, C.A., Tauler, R., Chemometrics Group, Department of Analytical Chemistry, Universitat de Barcelona (UB), Institute of Environmental Assessment and Water Research (IDAEA), Consejo Superior de Investigaciones Científicas [Madrid] (CSIC), Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), Dept Agricultural and Biosystems Engineering, Iowa State University (ISU), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2012

50. Spectroscopic imaging beyond the diffraction limit: the super-resolution concept

Author

Duponchel, L., Offroy, M., Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL), and Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Published
2012

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