BIFROST publications (HAL links)
- 2D and 3D Maximum-Quantum NMR and diffusion spectroscopy for the characterization of enzymatic reaction mixtures , 2022, Analyst, E. Piersanti, C. Righetti, D. Ribeaucourt, A. J. Simaan, Y. Mekmouche, M. Lafond, J.-G. Berrin, T. Tron, and M. Yemloul
- Evaluation of the Rotating-Frame Relaxation (T1ρ) Filter and Its Application in Metabolomics as an Alternative to the Transverse Relaxation (T2) Filter, 2021, Analytical Chemistry, E. Piersanti, L. Rezig, F. Tranchida, W. El-Houri, S. M. Abagana, M. Campredon, L. Shintu, and M. Yemloul
- Challenges in the decomposition of NMR spectra of small molecule mixtures, 2021, EUROMAR, Elena Piersanti (Vidéo)
- Décomposition de spectres RMN de mélanges complexes de petites molécules, 2021, Journées INRAE, E. Piersanti, A. Cherni, S. Anthoine, C. Chaux, L. Shintu, M. Yemloul, B. Torrésani (Summary)
- Challenges in the decomposition of NMR spectra of small molecule mixtures, 2021, Analytical Research Forum (ARF21), E. Piersanti, A. Cherni, S. Anthoine, C. Chaux, L. Shintu, M. Yemloul, B. Torrésani (Slides)
- Challenges in the decomposition of NMR spectra of small molecule mixtures, 2021, MISS, E. Piersanti, (3 min flash presentation (English))
- β-NMF and sparsity promoting regularizations for complex mixture unmixing. Application to 2D HSQC NMR, 2020, ICASSP, Barcelone, A. Cherni, S. Anthoine, C. Chaux (Slides)
- SPOQ lp-Over-lq Regularization for Sparse Signal: Recovery applied to Mass Spectrometry, 2020, IEEE Transactions on Signal Processing, A. Cherni, E. Chouzenoux, L. Duval, and J.-C. Pesquet (doi/Arxiv)
- Challenges in the decomposition of 2D NMR spectra of mixtures of small molecules, 2019, Faraday discussion: Challenges in analysis of complex natural mixtures, A. Cherni, E. Piersanti, S. Anthoine, C. Chaux, L. Shintu, M. Yemloul, B. Torrésani (Slides)
- Robustifying a PLS property prediction workflow on NMR spectra with optimized processing, 2019, Faraday discussion: Challenges in analysis of complex natural mixtures, L. Duval, M. Lacoue-Negre, A. Pirayre (Poster)
- Nouvelle stratégie combinant des expériences RMN 3D-DOSY et la séparation aveugle de sources pour l'analyse des mélanges, 2019, GERM, E. Piersanti, A. Cherni, S. Anthoine, C. Chaux, M. Campredona, B. Torrésani, L. Shintu and M. Yemloul (Poster)
- NMF-based sparse unmixing of complex mixtures, 2019, SPARS, A. Cherni, E. Piersanti, C. Chaux (Poster)
- A Novel Smoothed Norm Ratio for Sparse Signal Restoration. Application to Mass Spectrometry, 2019, SPARS, A. Cherni, E. Chouzenoux, L. Duval, J.-C. Pesquet (Poster)
- Régularisation mixte et parcimonie pour la séparation aveugle de source en spectroscopie RMN 2D, 2019, GRETSI, A. Cherni, C. Chaux (Slides)
- Forme lissée de rapports de normes lp/lq (SPOQ) pour la reconstruction des signaux avec pénalisation parcimonieuse, 2019, GRETSI, A. Cherni, E. Chouzenoux, L. Duval, J.-C. Pesquet (Poster)
BIFROST data (zenodo links)
- NMR Spectra (1H and HSQC) of terpenes available at http://doi.org/10.5281/zenodo.4897295
This repository contains 1D and 2D NMR (Nuclear Magnetic Resonance) spectroscopy data as well as Matlab and Python scripts to load and display these data.
BIFROST codes
- SPOQ codes [Dedicated webpage]:
- Matlab Code [Matlab Central]
- Python Code [github]
- Faraday codes [Publication]:
- Matlab Code [Caroline Chaux's webpage]
- To be used with data on [zenodo]
Former group publications
- Generalized Greedy Alternatives, Applied and Computational Harmonic Analysis, Anthoine S. and Dupé, F.-X.
- Comparing Kriging, Spline, and MLR in Product Properties Modelization: Application to Cloud Point Prediction, 2018, Energy Fuels, Da Costa, J. J. and Chainet, F. and Celse, B. and Lacoue-Nègre, M. and Ruckebusch, C. and Espinat, D.
- Combined maximum-quantum and DOSY 3D experiments provide enhanced resolution for small molecules in mixtures, 2017, Magn. Reson. Chem., Reddy, G. N. M. and Yemloul, M.a and Caldarelli, S.
- BARCHAN: Blob Alignment for Robust CHromatographic ANalysis, 2017, Journal of Chromatography A, Couprie, C. and Duval, L. and Moreau, M. and Hénon, S. and Tebib, M. and Souchon, V.
- A new penalized nonnegative third-order tensor decomposition using a block coordinate proximal gradient approach: Application to 3D fluorescence spectroscopy, 2017, Journal of Chemometrics, Vu, X. and Chaux, C. and Thirion-Moreau, N. and Maire, S. and Carstea, E. M.
- Tests of isotropy for rough textures of trended images, 2016, Statistica Sinica, Richard, F.
- Can we trust untargeted metabolomics? Results of the metabo-ring initiative, a large-scale, multi-instrument inter-laboratory study, 2015, Metabolomics, Martin, J.-C. and Maillot, M. and Mazerolles, G. and Verdu, A. and Lyan, B. and Migné, C. and Defoort, C. and Canlet, C. and Junot, C. and Guillou, C. and Manach, C. and Jabob, D. and Bouveresse, D. and Paris, E. and Pujos-Guillot, E. and Jourdan, F. and Giacomoni, F. and Courant, F. and Favé, G. and Le Gall, G. and Chassaigne, H. and Tabet, J.-C. and Martin, J.-F. and Antignac, J.-P. and Shintu, L. and Defernez, M. and Philo, M. and Alexandre-Gouaubau, M.-C. and Amiot-Carlin, M.-J. and Bossis, M. and Triba, M. N. and Stojilkovic, N. and Banzet, N. and Molinié, R. and Bott, R. and Goulitquer, S. and Caldarelli, S. and Rutledge, Douglas N.
- A review of blind source separation in NMR spectroscopy, 2014, Progress in Nuclear Magnetic Resonance Spectroscopy, Toumi, I. and Caldarelli, S. and Torrésani, B.