De novo structural elucidation of functional organic powders at natural isotopic abundance

Project Information

STRUCTURE

Grant agreement ID: 758498

DOI 10.3030/758498

Project closed

EC signature date 3 November 2017

Start date 1 January 2018

End date 31 December 2023

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost € 1 499 632,00

EU contribution € 1 499 632,00

Coordinated by

CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS
France

Publications

Peer reviewed articles (13)

Supercritical CO2 impregnation process applied to polymer samples preparation for dynamic nuclear polarization solid-state NMR

Author(s): Dao Le, Amélie Frison, Yasmine Masmoudi, Abir Bouledjouidja, Pierre Thureau, Giulia Mollica, Elisabeth Badens, Fabio Ziarelli, Stéphane Viel
Published in: Magnetic Resonance in Chemistry, 2022, Page(s) 1171-1177, ISSN 0749-1581
Publisher: John Wiley & Sons Inc.
DOI: 10.1002/mrc.5307

Monitoring the influence of additives on the crystallization processes of glycine with dynamic nuclear polarization solid-state NMR

Author(s): Marie Juramy; Paolo Cerreia Vioglio; Fabio Ziarelli; Stéphane Viel; Pierre Thureau; Giulia Mollica
Published in: "Solid State Nuclear Magnetic Resonance, 2022, 122, pp.101836. ⟨10.1016/j.ssnmr.2022.101836⟩", Issue 2, 2022, Page(s) 101836, ISSN 0926-2040
Publisher: Academic Press
DOI: 10.1016/j.ssnmr.2022.101836

A facile approach for estimating radio-frequency field strength of low-receptivity nuclei

Author(s): Nghia Tuan Duong, Stéphane Viel, Fabio Ziarelli, Pierre Thureau, Giulia Mollica
Published in: Journal of Magnetic Resonance, 2024, Page(s) 107614, ISSN 2395-7565
Publisher: Elsevier
DOI: 10.1016/j.jmr.2023.107614

Polarization Amplification in Dynamic Nuclear Polarization Magic-Angle Spinning Solid-State Nuclear Magnetic Resonance by Solubilizing Traditional Ionic Salts

Author(s): Florian Ferrer; Marie Juramy; Ribal Jabbour; Samuel Cousin; Fabio Ziarelli; Giulia Mollica; Pierre Thureau; Stéphane Viel
Published in: Journal of Physical Chemistry Letters, Issue 4, 2023, Page(s) 9619-9623, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.3c02455

Monitoring crystallization processes in confined porous materials by dynamic nuclear polarization solid-state nuclear magnetic resonance

Author(s): Marie Juramy; Romain Chèvre; Paolo Cerreia Vioglio; Fabio Ziarelli; Eric Besson; Stéphane Gastaldi; Stéphane Viel; Stéphane Viel; Pierre Thureau; Kenneth D. M. Harris; Giulia Mollica
Published in: Journal of the American Chemical Society, Issue 2, 2021, Page(s) 6095-6103, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.0c12982

Exploiting solid-state dynamic nuclear polarization NMR spectroscopy to establish the spatial distribution of polymorphic phases in a solid material

Author(s): Samuel F. Cousin; Colan E. Hughes; Fabio Ziarelli; Stéphane Viel; Giulia Mollica; Kenneth D. M. Harris; Arthur C. Pinon; Pierre Thureau
Published in: Chemical Science, Issue 2, 2023, Page(s) 10121-10128, ISSN 2041-6520
Publisher: Royal Society of Chemistry
DOI: 10.1039/d3sc02063k

43Ca MAS-DNP NMR of Frozen Solutions for the Investigation of Calcium Ion Complexation

Author(s): Tristan Georges, Romain Chèvre, Samuel F. Cousin, Christel Gervais, Pierre Thureau, Giulia Mollica, Thierry Azaïs
Published in: ACS Omega, 2024, Page(s) 4881-4891, ISSN 2470-1343
Publisher: ACS
DOI: 10.1021/acsomega.3c08292

Recent progress in nuclear magnetic resonance strategies for time-resolved atomic-level investigation of crystallization from solution

Author(s): Marie Juramy; Giulia Mollica
Published in: Current Opinion in Colloid & Interface Science, Issue 4, 2023, Page(s) 101633, ISSN 1359-0294
Publisher: Pergamon Press
DOI: 10.1016/j.cocis.2022.101663

A Strategy for Probing the Evolution of Crystallization Processes by Low-Temperature Solid-State NMR and Dynamic Nuclear Polarization

Author(s): Paolo Cerreia Vioglio, Pierre Thureau, Marie Juramy, Fabio Ziarelli, Stéphane Viel, P. Andrew Williams, Colan E. Hughes, Kenneth D. M. Harris, Giulia Mollica
Published in: The Journal of Physical Chemistry Letters, Issue 10/7, 2019, Page(s) 1505-1510, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.9b00306

Reducing the computational cost of NMR crystallography of organic powders at natural isotopic abundance with the help of 13 C- 13 C dipolar couplings

Author(s): Pierre Thureau, Simone Sturniolo, Miri Zilka, Fabio Ziarelli, Stéphane Viel, Jonathan R. Yates, Giulia Mollica
Published in: Magnetic Resonance in Chemistry, Issue 57/5, 2019, Page(s) 256-264, ISSN 0749-1581
Publisher: John Wiley & Sons Inc.
DOI: 10.1002/mrc.4848

Brute-force solvent suppression for DNP studies of powders at natural isotopic abundance

Author(s): Pierre Thureau, Marie Juramy, Fabio Ziarelli, Stephane Viel, Giulia Mollica
Published in: Solid State Nuclear Magnetic Resonance, Issue 99, 2019, Page(s) 15-19, ISSN 0926-2040
Publisher: Academic Press
DOI: 10.1016/j.ssnmr.2019.02.002

A Karplus Equation for the Conformational Analysis of Organic Molecular Crystals

Author(s): Pierre Thureau, Isaure Carvin, Fabio Ziarelli, Stéphane Viel, Giulia Mollica
Published in: Angewandte Chemie International Edition, Issue 58/45, 2019, Page(s) 16047-16051, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.201906359

Solvent suppression in solid-state DNP NMR using Electronic Mixing-Mediated Annihilation (EMMA)

Author(s): Fabio Ziarelli, Pierre Thureau, Stéphane Viel, Giulia Mollica
Published in: Magnetic Resonance in Chemistry, Issue 23 January 2020, 2020, ISSN 0749-1581
Publisher: John Wiley & Sons Inc.
DOI: 10.1002/mrc.5001

Book chapters (1)

Chapter 22. Structural Investigations of Polymer Materials by Dynamic Nuclear Polarisation Solid-state NMR

Author(s): Giulia Mollica, Fabio Ziarelli, Pierre Thureau, Stéphane Viel
Published in: NMR Methods for Characterization of Synthetic and Natural Polymers, Issue 20, 2019, Page(s) 533-554, ISBN 978-1-78801-400-7
Publisher: Royal Society of Chemistry
DOI: 10.1039/9781788016483-00533