Fast and accurate MAS–DNP simulations of large spin ensembles

Frédéric Mentink-Vigier, Shimon Vega and Gaël De Paëpe

Phys. Chem. Chem. Phys., 2017, 19, 3506
DOI: 10.1039/C6CP07881H

Investigating the efficiency of silica materials with wall-embedded nitroxide radicals for dynamic nuclear polarisation NMR

Eric Besson, Aurelien Vebr, Fabio Ziarelli, Emily Bloch, Guillaume Gerbaud, Séverine Queyroy, Pierre Thureau, Stéphane Viel and Stéphane Gastaldi

Phys. Chem. Chem. Phys., 2022, 24, 25279
DOI: 10.1039/D2CP02872G

Efficient cross-effect dynamic nuclear polarization without depolarization in high-resolution MAS NMR

Frédéric Mentink-Vigier, Guinevere Mathies, Yangping Liu, Anne-Laure Barra, Marc A. Caporini, Daniel Lee, Sabine Hediger, Robert G. Griffin and Gaël De Paëpe

Chem. Sci., 2017, 8, 8150
DOI: 10.1039/C7SC02199B

Water-soluble BDPA radicals with improved persistence

Sucharita Mandal and Snorri Th. Sigurdsson

Chem. Commun., 2020, 56, 13121
DOI: 10.1039/D0CC04920D

Polarizing agents for efficient high field DNP solid-state NMR spectroscopy under magic-angle spinning: from design principles to formulation strategies

Georges Menzildjian, Judith Schlagnitweit, Gilles Casano, Olivier Ouari, David Gajan and Anne Lesage

Chem. Sci., 2023, 14, 6120
DOI: 10.1039/D3SC01079A

Conformation of bis-nitroxide polarizing agents by multi-frequency EPR spectroscopy

Janne Soetbeer, Peter Gast, Joseph J. Walish, Yanchuan Zhao, Christy George, Chen Yang, Timothy M. Swager, Robert G. Griffin and Guinevere Mathies

Phys. Chem. Chem. Phys., 2018, 20, 25506
DOI: 10.1039/C8CP05236K

De novo prediction of cross-effect efficiency for magic angle spinning dynamic nuclear polarization

Frédéric Mentink-Vigier, Anne-Laure Barra, Johan van Tol, Sabine Hediger, Daniel Lee and Gaël De Paëpe

Phys. Chem. Chem. Phys., 2019, 21, 2166
DOI: 10.1039/C8CP06819D

AsymPol-TEKs as efficient polarizing agents for MAS-DNP in glass matrices of non-aqueous solvents

Rania Harrabi, Thomas Halbritter, Shadi Alarab, Satyaki Chatterjee, Malgorzata Wolska-Pietkiewicz, Krishna K. Damodaran, Johan van Tol, Daniel Lee, Subhradip Paul, Sabine Hediger, Snorri Th. Sigurdsson, Frederic Mentink-Vigier and Gaël De Paëpe

Phys. Chem. Chem. Phys., 2024, 26, 5669
DOI: 10.1039/D3CP04271E

Highly bioresistant, hydrophilic and rigidly linked trityl-nitroxide biradicals for cellular high-field dynamic nuclear polarization

Ru Yao, David Beriashvili, Wenxiao Zhang, Shuai Li, Adil Safeer, Andrei Gurinov, Antal Rockenbauer, Yin Yang, Yuguang Song, Marc Baldus and Yangping Liu

Chem. Sci., 2022, 13, 14157
DOI: 10.1039/D2SC04668G

Diastereoisomers of l-proline-linked trityl-nitroxide biradicals: synthesis and effect of chiral configurations on exchange interactions

Weixiang Zhai, Yalan Feng, Huiqiang Liu, Antal Rockenbauer, Deni Mance, Shaoyong Li, Yuguang Song, Marc Baldus and Yangping Liu

Chem. Sci., 2018, 9, 4381
DOI: 10.1039/C8SC00969D

Efficient DNP at high fields and fast MAS with antenna-sensitized dinitroxides

Lorenzo Niccoli, Gilles Casano, Georges Menzildjian, Maxim Yulikov, Thomas Robinson, Salah-Eddine Akrial, Zhuoran Wang, Christian Reiter, Armin Purea, Didier Siri, Amrit Venkatesh, Lyndon Emsley, David Gajan, Moreno Lelli, Olivier Ouari and Anne Lesage

Chem. Sci., 2024, 15, 16582
DOI: 10.1039/D4SC04473H

Targeted DNP for biomolecular solid-state NMR

Diego Gauto, Ons Dakhlaoui, Ildefonso Marin-Montesinos, Sabine Hediger and Gaël De Paëpe

Chem. Sci., 2021, 12, 6223
DOI: 10.1039/D0SC06959K

TinyPols: a family of water-soluble binitroxides tailored for dynamic nuclear polarization enhanced NMR spectroscopy at 18.8 and 21.1 T

Alicia Lund, Gilles Casano, Georges Menzildjian, Monu Kaushik, Gabriele Stevanato, Maxim Yulikov, Ribal Jabbour, Dorothea Wisser, Marc Renom-Carrasco, Chloé Thieuleux, Florian Bernada, Hakim Karoui, Didier Siri, Melanie Rosay, Ivan V. Sergeyev, David Gajan, Moreno Lelli, Lyndon Emsley, Olivier Ouari and Anne Lesage

Chem. Sci., 2020, 11, 2810
DOI: 10.1039/C9SC05384K

Electron-driven spin diffusion supports crossing the diffusion barrier in MAS DNP

Johannes J. Wittmann, Michael Eckardt, Wolfgang Harneit and Björn Corzilius

Phys. Chem. Chem. Phys., 2018, 20, 11418
DOI: 10.1039/C8CP00265G

PyrroTriPol: a semi-rigid trityl-nitroxide for high field dynamic nuclear polarization

Thomas Halbritter, Rania Harrabi, Subhradip Paul, Johan van Tol, Daniel Lee, Sabine Hediger, Snorri Th. Sigurdsson, Frédéric Mentink-Vigier and Gaël De Paëpe

Chem. Sci., 2023, 14, 3852
DOI: 10.1039/D2SC05880D

Dynamic nuclear polarization for sensitivity enhancement in modern solid-state NMR

Aany Sofia Lilly Thankamony, Johannes J. Wittmann, Monu Kaushik and Björn Corzilius

Progress in Nuclear Magnetic Resonance Spectroscopy, 2017, 102-103, 120
DOI: 10.1016/j.pnmrs.2017.06.002

Spirocyclic Nitroxides as Versatile Tools in Modern Natural Sciences: From Synthesis to Applications. Part I. Old and New Synthetic Approaches to Spirocyclic Nitroxyl Radicals

Elena Zaytseva and Dmitrii Mazhukin

Molecules, 2021, 26, 677
DOI: 10.3390/molecules26030677

Characterization of V–Mo–W Mixed Oxide Catalyst Surface Species by 51V Solid-State Dynamic Nuclear Polarization NMR

Aany S. L. Thankamony, Stefan Knoche, Sarah Bothe, Alfons Drochner, Anil P. Jagtap, Snorri Th. Sigurdsson, Herbert Vogel, Bastian J. M. Etzold, Torsten Gutmann and Gerd Buntkowsky

J. Phys. Chem. C, 2017, 121, 20857
DOI: 10.1021/acs.jpcc.7b06761

Biradicals based on PROXYL containing building blocks for efficient dynamic nuclear polarization in biotolerant media

Kevin Herr, Mark V. Höfler, Henrike Heise, Fabien Aussenac, Felix Kornemann, David Rosenberger, Martin Brodrecht, Marcos de Oliveira, Gerd Buntkowsky and Torsten Gutmann

Journal of Magnetic Resonance Open, 2024, 20, 100152
DOI: 10.1016/j.jmro.2024.100152

An EPR Study on Highly Stable Nitroxyl-Nitroxyl Biradicals for Dynamic Nuclear Polarization Applications at High Magnetic Fields

Nargiz B. Asanbaeva, Sergey A. Dobrynin, Denis A. Morozov, Nadia Haro-Mares, Torsten Gutmann, Gerd Buntkowsky and Elena G. Bagryanskaya

Molecules, 2023, 28, 1926
DOI: 10.3390/molecules28041926

Efficiency of Water‐Soluble Nitroxide Biradicals for Dynamic Nuclear Polarization in Rotating Solids at 9.4 T: bcTol‐M and cyolyl‐TOTAPOL as New Polarizing Agents

Michel‐Andreas Geiger, Anil P. Jagtap, Monu Kaushik, Han Sun, Daniel Stöppler, Snorri T. Sigurdsson, Björn Corzilius and Hartmut Oschkinat

Chemistry A European J, 2018, 24, 13485
DOI: 10.1002/chem.201801251

Changes in Secondary Structure Upon Pr to Pfr Transition in Cyanobacterial Phytochrome Cph1 Detected by DNP NMR

Lisa Gerland, Anne Diehl, Natalja Erdmann, Matthias Hiller, Christina Lang, Christian Teutloff, Jon Hughes and Hartmut Oschkinat

Chemistry A European J, 2025, 31
DOI: 10.1002/chem.202402454

Dynamic Nuclear Polarization for Sensitivity Enhancement in Biomolecular Solid-State NMR

Thomas Biedenbänder, Victoria Aladin, Siavash Saeidpour and Björn Corzilius

Chem. Rev., 2022, 122, 9738
DOI: 10.1021/acs.chemrev.1c00776

Nitroxide-based triradical dopants for efficient low-temperature dynamic nuclear polarization in aqueous solutions over a broad pH range

Wai-Ming Yau, C. Blake Wilson, Jaekyun Jeon and Robert Tycko

Journal of Magnetic Resonance, 2022, 342, 107284
DOI: 10.1016/j.jmr.2022.107284

BDPA-Nitroxide Biradicals Tailored for Efficient Dynamic Nuclear Polarization Enhanced Solid-State NMR at Magnetic Fields up to 21.1 T

Dorothea Wisser, Ganesan Karthikeyan, Alicia Lund, Gilles Casano, Hakim Karoui, Maxim Yulikov, Georges Menzildjian, Arthur C. Pinon, Armin Purea, Frank Engelke, Sachin R. Chaudhari, Dominik Kubicki, Aaron J. Rossini, Ilia B. Moroz, David Gajan, Christophe Copéret, Gunnar Jeschke, Moreno Lelli, Lyndon Emsley, Anne Lesage and Olivier Ouari

J. Am. Chem. Soc., 2018, 140, 13340
DOI: 10.1021/jacs.8b08081

Improved waveguide coupling for 1.3 mm MAS DNP probes at 263 GHz

Armin Purea, Christian Reiter, Alexandros I. Dimitriadis, Emile de Rijk, Fabien Aussenac, Ivan Sergeyev, Melanie Rosay and Frank Engelke

Journal of Magnetic Resonance, 2019, 302, 43
DOI: 10.1016/j.jmr.2019.03.009

Postmodification via Thiol-Click Chemistry Yields Hydrophilic Trityl-Nitroxide Biradicals for Biomolecular High-Field Dynamic Nuclear Polarization

Weixiang Zhai, Alessandra Lucini Paioni, Xinyi Cai, Siddarth Narasimhan, João Medeiros-Silva, Wenxiao Zhang, Antal Rockenbauer, Markus Weingarth, Yuguang Song, Marc Baldus and Yangping Liu

J. Phys. Chem. B, 2020, 124, 9047
DOI: 10.1021/acs.jpcb.0c08321

Fast magic angle spinning for the characterization of milligram quantities of organic and biological solids at natural isotopic abundance by 13C–13C correlation DNP-enhanced NMR

Adam N. Smith, Rania Harrabi, Thomas Halbritter, Daniel Lee, Fabien Aussenac, Patrick C.A. van der Wel, Sabine Hediger, Snorri Th. Sigurdsson and Gaël De Paëpe

Solid State Nuclear Magnetic Resonance, 2023, 123, 101850
DOI: 10.1016/j.ssnmr.2022.101850

In Silico Design of DNP Polarizing Agents: Can Current Dinitroxides Be Improved?

Frédéric A. Perras, Aaron Sadow and Marek Pruski

ChemPhysChem, 2017, 18, 2279
DOI: 10.1002/cphc.201700299

Biomolecular and Biological Applications of Solid-State NMR with Dynamic Nuclear Polarization Enhancement

Wing Ying Chow, Gaël De Paëpe and Sabine Hediger

Chem. Rev., 2022, 122, 9795
DOI: 10.1021/acs.chemrev.1c01043

Dynamic nuclear polarization and chemically induced hyperpolarization: Progress, mechanisms, and opportunities

Danhua Dai, Yangping Liu, Xiao He and Jiafei Mao

Magnetic Resonance Letters, 2025, 5, 200178
DOI: 10.1016/j.mrl.2025.200178

Stability of the polarization agent AsymPolPOK in intact and lysed mammalian cells

Dominique Lagasca, Rupam Ghosh, Yiling Xiao and Kendra K. Frederick

Journal of Magnetic Resonance, 2025, 374, 107864
DOI: 10.1016/j.jmr.2025.107864

Dynamic nuclear polarization-enhanced, double-quantum filtered 13C-13C dipolar correlation spectroscopy of natural 13C abundant bone-tissue biomaterial

Sungsool Wi, Navneet Dwivedi, Richa Dubey, Frederic Mentink-Vigier and Neeraj Sinha

Journal of Magnetic Resonance, 2022, 335, 107144
DOI: 10.1016/j.jmr.2022.107144

Rational Design of Dinitroxide Polarizing Agents for Dynamic Nuclear Polarization to Enhance Overall NMR Sensitivity

Amrit Venkatesh, Gilles Casano, Ran Wei, Yu Rao, Hugo Lingua, Hakim Karoui, Maxim Yulikov, Olivier Ouari and Lyndon Emsley

Angewandte Chemie, 2024, 136
DOI: 10.1002/ange.202317337

Role of Protons in and around Strongly Coupled Nitroxide Biradicals for Cross-Effect Dynamic Nuclear Polarization

Satyaki Chatterjee, Amrit Venkatesh, Snorri Th. Sigurdsson and Frédéric Mentink-Vigier

J. Phys. Chem. Lett., 2024, 15, 2160
DOI: 10.1021/acs.jpclett.3c03472

Novel Biradicals for Direct Excitation Highfield Dynamic Nuclear Polarization

Sarah Bothe, Jens Nowag, Vytautas Klimavičius, Markus Hoffmann, Tatiana I. Troitskaya, Evgenii V. Amosov, Victor M. Tormyshev, Igor Kirilyuk, Andrey Taratayko, Andrey Kuzhelev, Dmitriy Parkhomenko, Elena Bagryanskaya, Torsten Gutmann and Gerd Buntkowsky

J. Phys. Chem. C, 2018, 122, 11422
DOI: 10.1021/acs.jpcc.8b02570

New NMR tools for protein structure and function: Spin tags for dynamic nuclear polarization solid state NMR

Rivkah Rogawski and Ann E. McDermott

Archives of Biochemistry and Biophysics, 2017, 628, 102
DOI: 10.1016/j.abb.2017.06.010

Succinyl-DOTOPA: An effective triradical dopant for low-temperature dynamic nuclear polarization with high solubility in aqueous solvent mixtures at neutral pH

Wai-Ming Yau, Jaekyun Jeon and Robert Tycko

Journal of Magnetic Resonance, 2020, 311, 106672
DOI: 10.1016/j.jmr.2019.106672

Computationally Assisted Design of Polarizing Agents for Dynamic Nuclear Polarization Enhanced NMR: The AsymPol Family

Frédéric Mentink-Vigier, Ildefonso Marin-Montesinos, Anil P. Jagtap, Thomas Halbritter, Johan van Tol, Sabine Hediger, Daniel Lee, Snorri Th. Sigurdsson and Gaël De Paëpe

J. Am. Chem. Soc., 2018, 140, 11013
DOI: 10.1021/jacs.8b04911

Instrumentation for cryogenic magic angle spinning dynamic nuclear polarization using 90 L of liquid nitrogen per day

Brice J. Albert, Seong Ho Pahng, Nicholas Alaniva, Erika L. Sesti, Peter W. Rand, Edward P. Saliba, Faith J. Scott, Eric J. Choi and Alexander B. Barnes

Journal of Magnetic Resonance, 2017, 283, 71
DOI: 10.1016/j.jmr.2017.08.014

Highly Efficient Polarizing Agents for MAS‐DNP of Proton‐Dense Molecular Solids

Rania Harrabi, Thomas Halbritter, Fabien Aussenac, Ons Dakhlaoui, Johan van Tol, Krishna K. Damodaran, Daniel Lee, Subhradip Paul, Sabine Hediger, Frederic Mentink‐Vigier, Snorri Th. Sigurdsson and Gaël De Paëpe

Angewandte Chemie, 2022, 134
DOI: 10.1002/ange.202114103

Characterization of dielectric properties and their impact on MAS-DNP NMR applications

Faith J. Scott, Thierry Dubroca, Robert W. Schurko, Stephen Hill, Joanna R. Long and Frédéric Mentink-Vigier

Journal of Magnetic Resonance, 2024, 365, 107742
DOI: 10.1016/j.jmr.2024.107742

Dynamic Nuclear Polarization Efficiency Increased by Very Fast Magic Angle Spinning

Sachin R. Chaudhari, Dorothea Wisser, Arthur C. Pinon, Pierrick Berruyer, David Gajan, Paul Tordo, Olivier Ouari, Christian Reiter, Frank Engelke, Christophe Copéret, Moreno Lelli, Anne Lesage and Lyndon Emsley

J. Am. Chem. Soc., 2017, 139, 10609
DOI: 10.1021/jacs.7b05194

DNP NMR of biomolecular assemblies

Kristaps Jaudzems, Tatyana Polenova, Guido Pintacuda, Hartmut Oschkinat and Anne Lesage

Journal of Structural Biology, 2019, 206, 90
DOI: 10.1016/j.jsb.2018.09.011

Solid-State NMR Investigations of Extracellular Matrixes and Cell Walls of Algae, Bacteria, Fungi, and Plants

Nader Ghassemi, Alexandre Poulhazan, Fabien Deligey, Frederic Mentink-Vigier, Isabelle Marcotte and Tuo Wang

Chem. Rev., 2022, 122, 10036
DOI: 10.1021/acs.chemrev.1c00669

A biradical-tagged phospholipid as a polarizing agent for solid-state MAS Dynamic Nuclear Polarization NMR of membrane proteins

Daryl B. Good, Maxim A. Voinov, David Bolton, Meaghan E. Ward, Ivan V. Sergeyev, Marc Caporini, Peter Scheffer, Andy Lo, Melanie Rosay, Antonin Marek, Leonid S. Brown, Alex I Smirnov and Vlad Ladizhansky

Solid State Nuclear Magnetic Resonance, 2019, 100, 92
DOI: 10.1016/j.ssnmr.2019.04.003

Highly Efficient Trityl‐Nitroxide Biradicals for Biomolecular High‐Field Dynamic Nuclear Polarization

Xinyi. Cai, Alessandra Lucini Paioni, Agnes Adler, Ru Yao, Wenxiao Zhang, David Beriashvili, Adil Safeer, Andrei Gurinov, Antal Rockenbauer, Yuguang Song, Marc Baldus and Yangping Liu

Chemistry A European J, 2021, 27, 12758
DOI: 10.1002/chem.202102253

PEGylated, Water-Soluble, Stable Aminyl Radical

Ying Wang, Suchada Rajca and Andrzej Rajca

J. Org. Chem., 2017, 82, 7512
DOI: 10.1021/acs.joc.7b01212

The distance between g-tensors of nitroxide biradicals governs MAS-DNP performance: The case of the bTurea family

Frédéric Mentink-Vigier, Thierry Dubroca, Johan Van Tol and Snorri Th. Sigurdsson

Journal of Magnetic Resonance, 2021, 329, 107026
DOI: 10.1016/j.jmr.2021.107026

Rational Design of Dinitroxide Polarizing Agents for Dynamic Nuclear Polarization to Enhance Overall NMR Sensitivity

Amrit Venkatesh, Gilles Casano, Ran Wei, Yu Rao, Hugo Lingua, Hakim Karoui, Maxim Yulikov, Olivier Ouari and Lyndon Emsley

Angew Chem Int Ed, 2024, 63
DOI: 10.1002/anie.202317337

Dynamic Nuclear Polarization of Biomembrane Assemblies

Nhi T. Tran, Frédéric Mentink-Vigier and Joanna R. Long

Biomolecules, 2020, 10, 1246
DOI: 10.3390/biom10091246

Highly Efficient Polarizing Agents for MAS‐DNP of Proton‐Dense Molecular Solids

Rania Harrabi, Thomas Halbritter, Fabien Aussenac, Ons Dakhlaoui, Johan van Tol, Krishna K. Damodaran, Daniel Lee, Subhradip Paul, Sabine Hediger, Frederic Mentink‐Vigier, Snorri Th. Sigurdsson and Gaël De Paëpe

Angew Chem Int Ed, 2022, 61
DOI: 10.1002/anie.202114103

Frequency-agile gyrotron for electron decoupling and pulsed dynamic nuclear polarization

Faith J. Scott, Edward P. Saliba, Brice J. Albert, Nicholas Alaniva, Erika L. Sesti, Chukun Gao, Natalie C. Golota, Eric J. Choi, Anil P. Jagtap, Johannes J. Wittmann, Michael Eckardt, Wolfgang Harneit, Björn Corzilius, Snorri Th. Sigurdsson and Alexander B. Barnes

Journal of Magnetic Resonance, 2018, 289, 45
DOI: 10.1016/j.jmr.2018.02.010