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Journal articles
Vibrational Signatures of Calcium Oxalate Polyhydrates
Ivan Petit
1
Gustavo D. Belletti
2
Théau Debroise
1
Manuel J. Llansola-Portoles
3
Ivan T. Lucas
4
César Leroy
1
Christian Bonhomme
1
Laure Bonhomme-Coury
1
Dominique Bazin
1
Michel Daudon
5, 6
Emmanuel Letavernier
5, 6
Jean Philippe Haymann
5, 6
Vincent Frochot
5, 6
Florence Babonneau
1
Paola Quaino
2
Frederik Tielens
1, 7
1
LCMCP-SMiLES - Spectroscopie, Modélisation, Interfaces pour L'Environnement et la Santé
LCMCP - Laboratoire de Chimie de la Matière Condensée de Paris
Ivan Petit 1
Author
Gustavo D. Belletti 2
Author
Théau Debroise 1
Author
Manuel J. Llansola-Portoles 3
Author IdHAL : mjllansola ORCID : https://orcid.org/0000-0002-8065-9459
Ivan T. Lucas 4
Author
César Leroy 1
Author
Christian Bonhomme 1
Author IdHAL : christian-bonhomme ORCID : https://orcid.org/0000-0003-0802-6961
Laure Bonhomme-Coury 1
Author IdHAL : laure-bonhomme
Dominique Bazin 1
Author
Michel Daudon 5, 6
Author
Emmanuel Letavernier 5, 6
Author
Jean Philippe Haymann 5, 6
Author
Vincent Frochot 5, 6
Author
Florence Babonneau 1
Author IdHAL : florence-babonneau ORCID : https://orcid.org/0000-0002-6961-1331
Paola Quaino 2
Author
Frederik Tielens 1, 7
Author
1
LCMCP-SMiLES - Spectroscopie, Modélisation, Interfaces pour L'Environnement et la Santé (France)
- LCMCP - Laboratoire de Chimie de la Matière Condensée de Paris (Sorbonne Université
4 place Jussieu
75252 Paris cedex 05 - France)
- CdF (institution) - Collège de France (France)
- SU - Sorbonne Université (21 rue de l’École de médecine - 75006 Paris - France)
- CNRS - Centre National de la Recherche Scientifique : UMR7574 (France)
2
PRELINE - Programa de Electroquímica Aplicada e Ingeniería Electroquímica [Santa Fe] (Facultad de Ingeniería Química (UNL), Santiago del Estero 2829, S3000AOM Santa Fe - Argentina)
- FIQ - Facultad de Ingeniería Química [Santa Fe] (Santiago del Estero 2829 (3000) Santa Fe - Argentina)
- UNL - Universidad Nacional del Litoral [Santa Fe] (Bv. Pellegrini 2750, 3000 Santa Fe - Argentina)
3
I2BC - Institut de Biologie Intégrative de la Cellule (Bâtiment 21, 1 avenue de la Terrasse, 91198 Gif/Yvette cedex - France)
- CEA - Commissariat à l'énergie atomique et aux énergies alternatives : DRF/I2BC (Centre de Saclay Centre de Grenoble Centre de Cadarache etc - France)
- Université Paris-Saclay (Espace Technologique, Bat. Discovery - RD 128 - 2e ét., 91190 Saint-Aubin - France)
- CNRS - Centre National de la Recherche Scientifique : UMR 9198 (France)
4
LISE - Laboratoire Interfaces et Systèmes Electrochimiques (Tour 1314, 2ème étage 4 Place Jussieu 75252 PARIS CEDEX 05 - France)
- SU - Sorbonne Université (21 rue de l’École de médecine - 75006 Paris - France)
- CNRS - Centre National de la Recherche Scientifique : UMR8235 (France)
5
Service d'Explorations fonctionnelles multidisciplinaires [CHU Tenon] (France)
- AP-HP - Assistance publique - Hôpitaux de Paris (AP-HP) (France)
- CHU Tenon [APHP] (4 Rue de la Chine, 75020 Paris - France)
- AP-HP - Assistance publique - Hôpitaux de Paris (AP-HP) (France)
- Sorbonne Université (France)
6
Des Maladies Rénales Rares aux Maladies Fréquentes, Remodelage et Réparation (Bâtiment Recherche - 4 rue de la Chine 75970 Paris Cedex 20 - France)
- INSERM - Institut National de la Santé et de la Recherche Médicale : U1155 (101, rue de Tolbiac, 75013 Paris - France)
- SU - Sorbonne Université (21 rue de l’École de médecine - 75006 Paris - France)
7
ALG - Departement of General Chemistry (ALGC) (Departement of General Chemistry (ALGC), Vrije Universiteit Brussel (Free University of Brussel VUB), Pleinlaan 2, 1050 Brussels, Belgium - Belgium)
- ULB - Université libre de Bruxelles (Avenue Franklin Roosevelt 50 - 1050 Bruxelles - Belgium)
Abstract : The vibrational signatures of the calcium oxalate polyhydrates are investigated using a combination of Density Functional Theory-Dispersion corrected, Fourier Transform-Raman and-Infrared (IR) spectroscopies. Most vibrational bands were assigned and the theoretical predictions were compared with in-house and other experimental data, for both, IR and Raman spectroscopies. Such an approach allowed a more accurate analysis of vibrational spectra helping in the completion of the band assignments of the vibrational bands of the mono, di, and tri hydrate calcium oxalate (COM, COD, and COT). Particular attention has been paid to the degree of hydration of COD, the low Raman wavenumbers, and the presence of oxalic acid in natural calcium oxalate polyhydrates. The obtained results are expected to be supportive in the detection of the different polyhydrates in natural samples, such as in kidney stones.
Document type :
Journal articles
Complete list of metadata
https://hal.sorbonne-universite.fr/hal-02144971
Contributor : Guillaume Laurent <>
Submitted on : Wednesday, February 17, 2021 - 11:05:39 AM
Last modification on : Monday, June 14, 2021 - 10:03:32 AM
Long-term archiving on: : Tuesday, May 18, 2021 - 6:31:20 PM
Contributor : Guillaume Laurent <>
Submitted on : Wednesday, February 17, 2021 - 11:05:39 AM
Last modification on : Monday, June 14, 2021 - 10:03:32 AM
Long-term archiving on: : Tuesday, May 18, 2021 - 6:31:20 PM
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Identifiers
- HAL Id : hal-02144971, version 1
- DOI : 10.1002/slct.201801611
Collections
SORBONNE-UNIVERSITE | PSL | SU-SCIENCES | LCMCP-SMILES | CEA-UPSAY | INC-CNRS | CEA | CNRS | CDF | LCMCP | LISE | I2BC | CEA-DRF | U1155 | SU-TI | JOLIOT | SU-MEDECINE | INSERM | GS-ENGINEERING | GS-BIOSPHERA | GENCI
Citation
Ivan Petit, Gustavo D. Belletti, Théau Debroise, Manuel J. Llansola-Portoles, Ivan T. Lucas, et al.. Vibrational Signatures of Calcium Oxalate Polyhydrates. ChemistrySelect, Wiley, 2018, 3 (31), pp.8801-8812. ⟨10.1002/slct.201801611⟩. ⟨hal-02144971⟩
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