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ULT-MAS-DNP SIGNED

Dynamic Nuclear Polarization at ultra-fast sample spinning and ultra-low temperature

Total Cost €

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EC-Contrib. €

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Partnership

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 ULT-MAS-DNP project word cloud

Explore the words cloud of the ULT-MAS-DNP project. It provides you a very rough idea of what is the project "ULT-MAS-DNP" about.

goals    polarizing    chemical    structural    67zn    17o    engineering    regions    hyperpolarization    never    crystallography    13c    entire    spins    temperatures    pneumatic    spinning    diamagnetic    strategy    uniformly    fast    microwave    directions    suitable    biological    routine    magic    informative    requiring    tackle    structures    angle    nuclear    enriched    sensitivity    ray    thanks    sustainable    setup    isotopically    labeling    experimental    ligand    distance    resolution    firstly    levels    mas    secondly    innovative    gather    ubiquitous    technique    instrumentation    unprecedented    metalloproteins    answer    timesavings    orders    completely    protein    15n    3d    sites    potentially    showing    irradiation    unanswered    nmr    magnitude    regimes    easily    polarization    interactions    nuclei    quadrupolar    isotopic    epr    hyperpolarize    dynamic    extracted    ing    exotic    dnp    complementing    drug    selectively    light    binding    wish    43ca    solving    questions    metal    original   

Project "ULT-MAS-DNP" data sheet

The following table provides information about the project.

Coordinator
COMMISSARIAT A L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES 

Organization address
address: RUE LEBLANC 25
city: PARIS 15
postcode: 75015
website: www.cea.fr

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country France [FR]
 Total cost 1˙999˙805 €
 EC max contribution 1˙999˙805 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2015-CoG
 Funding Scheme ERC-COG
 Starting year 2016
 Duration (year-month-day) from 2016-07-01   to  2021-06-30

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    COMMISSARIAT A L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES FR (PARIS 15) coordinator 1˙959˙805.00
2    CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS FR (PARIS) participant 40˙000.00

Map

 Project objective

The goal of the project is to develop a new hyperpolarization approach called Magic Angle Spinning Dynamic Nuclear Polarization (MAS-DNP) to reach levels of sensitivity and resolution that have never been achieved, in order to tackle highly relevant chemical and biological questions that remain unanswered so far. Firstly this will provide major advances in NMR crystallography (solving 3D structures by NMR) by showing that distance measurements between nuclei (13C, 15N, etc.) as well as 17O quadrupolar parameters can be extracted from NMR measurements without requiring isotopic labeling. This will be applied to systems that cannot be easily isotopically enriched and for which X-ray analysis is often not suitable. Secondly we propose an innovative strategy to hyperpolarize nuclear spins using MAS-DNP: rather than polarizing the entire system uniformly, we will selectively “light up” regions where we wish to gather important structural information. This will be developed to study protein-ligand interactions (with unprecedented resolution) to answer specific structural questions and potentially impact the field of drug engineering. Finally we will show that the unique experimental setup developed in this project will open up NMR to the routine study of “exotic”, yet ubiquitous and highly informative, nuclei such as 43Ca and 67Zn. Specifically, we will show that MAS-DNP can become a choice technique for the study of diamagnetic metal binding sites, complementing EPR for the study of metalloproteins. These goals will be achieved thanks to the development of original methods and advanced instrumentation, allowing sustainable access to low temperatures (down to 10-20 K) and fast pneumatic sample spinning, under microwave irradiation. We expect to improve the current sensitivity to such an extent that 4 orders of magnitude of experimental timesavings are obtained, resulting in completely new research directions and regimes.

 Publications

year authors and title journal last update
List of publications.
2019 Harish Banda, Sandy Périé, Barbara Daffos, Pierre-Louis Taberna, Lionel Dubois, Olivier Crosnier, Patrice Simon, Daniel Lee, Gaël De Paëpe, Florence Duclairoir
Sparsely Pillared Graphene Materials for High-Performance Supercapacitors: Improving Ion Transport and Storage Capacity
published pages: , ISSN: 1936-0851, DOI: 10.1021/acsnano.8b07102
ACS Nano 2019-03-12
2017 Daniel Lee, Sachin R. Chaudhari, Gaël De Paëpe
Solvent signal suppression for high-resolution MAS-DNP
published pages: 60-66, ISSN: 1090-7807, DOI: 10.1016/j.jmr.2017.03.012
Journal of Magnetic Resonance 278 2019-03-18
2019 Ildefonso Marin-Montesinos, David Goyard, Emilie Gillon, Olivier Renaudet, Anne Imberty, Sabine Hediger, Gaël De Paëpe
Selective High-resolution DNP-enhanced NMR of Biomolecular Binding Sites
published pages: , ISSN: 2041-6520, DOI: 10.1039/c8sc05696j
Chemical Science 2019-03-18
2018 Frédéric Mentink-Vigier, Ildefonso Marin-Montesinos, Anil P. Jagtap, Thomas Halbritter, Johan van Tol, Sabine Hediger, Daniel Lee, Snorri Th. Sigurdsson, Gaël De Paëpe
Computationally Assisted Design of Polarizing Agents for Dynamic Nuclear Polarization Enhanced NMR: The AsymPol Family
published pages: 11013-11019, ISSN: 0002-7863, DOI: 10.1021/jacs.8b04911
Journal of the American Chemical Society 140/35 2019-03-20
2018 Adam N. Smith, Katharina Märker, Talia Piretra, Jennifer C. Boatz, Irina Matlahov, Ravindra Kodali, Sabine Hediger, Patrick C. A. van der Wel, Gaël De Paëpe
Structural Fingerprinting of Protein Aggregates by Dynamic Nuclear Polarization-Enhanced Solid-State NMR at Natural Isotopic Abundance
published pages: 14576-14580, ISSN: 0002-7863, DOI: 10.1021/jacs.8b09002
Journal of the American Chemical Society 140/44 2019-03-11
2019 Frédéric Mentink-Vigier, Anne-Laure Barra, Johan van Tol, Sabine Hediger, Daniel Lee, Gaël De Paëpe
De novo prediction of cross-effect efficiency for magic angle spinning dynamic nuclear polarization
published pages: 2166-2176, ISSN: 1463-9076, DOI: 10.1039/c8cp06819d
Physical Chemistry Chemical Physics 21/4 2019-03-18

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