Practical guides for 1H detected solid-state NMR under fast MAS for small molecules

Yusuke Nishiyama and Nghia Tuan Duong

Journal of Magnetic Resonance Open, 2022, 10-11, 100062
DOI: 10.1016/j.jmro.2022.100062

Conformational Dynamics of Bacteriochlorophyll c in Chlorosomes from the bchQ Mutant of Chlorobaculum tepidum

Lolita Dsouza, Karthick Babu Sai Sankar Gupta, Xinmeng Li, Vesna Erić, Yusen Luo, Annemarie Huijser, Thomas L. C. Jansen, Francesco Buda, Alfred R. Holzwarth, Donald A. Bryant, Andrei Gurinov, G. J. Agur Sevink and Huub J. M. de Groot

J. Phys. Chem. B, 2025, 129, 2129
DOI: 10.1021/acs.jpcb.4c04731

Grid-free powder averages: On the applications of the Fokker–Planck equation to solid state NMR

Luke J. Edwards, D.V. Savostyanov, A.A. Nevzorov, M. Concistrè, G. Pileio and Ilya Kuprov

Journal of Magnetic Resonance, 2013, 235, 121
DOI: 10.1016/j.jmr.2013.07.011

CP MAS kinetics in soft matter: Spin diffusion, local disorder and thermal equilibration in poly(2-hydroxyethyl methacrylate)

Laurynas Dagys, Vaidas Klimkevičius, Vytautas Klimavicius, Kęstutis Aidas, Ričardas Makuška and Vytautas Balevicius

Solid State Nuclear Magnetic Resonance, 2020, 105, 101641
DOI: 10.1016/j.ssnmr.2019.101641

Dipolar Assisted Assignment Protocol (DAAP) for MAS solid-state NMR of rotationally aligned membrane proteins in phospholipid bilayers

Bibhuti B. Das, Hua Zhang and Stanley J. Opella

Journal of Magnetic Resonance, 2014, 242, 224
DOI: 10.1016/j.jmr.2014.02.018

Large-scale ab initio simulations of MAS DNP enhancements using a Monte Carlo optimization strategy

Frédéric A. Perras and Marek Pruski

The Journal of Chemical Physics, 2018, 149
DOI: 10.1063/1.5042651

Quantitative Structure-Based Prediction of Electron Spin Decoherence in Organic Radicals

Elizabeth R. Canarie, Samuel M. Jahn and Stefan Stoll

J. Phys. Chem. Lett., 2020, 11, 3396
DOI: 10.1021/acs.jpclett.0c00768

Cholesterol-mediated allosteric regulation of the mitochondrial translocator protein structure

Garima Jaipuria, Andrei Leonov, Karin Giller, Suresh Kumar Vasa, Łukasz Jaremko, Mariusz Jaremko, Rasmus Linser, Stefan Becker and Markus Zweckstetter

Nat Commun, 2017, 8
DOI: 10.1038/ncomms14893

Long lived NMR signal in bone

Boyang Zhang, Jae-Seung Lee, Anatoly Khitrin and Alexej Jerschow

Journal of Magnetic Resonance, 2013, 231, 1
DOI: 10.1016/j.jmr.2013.03.002

Mechanism of dilute-spin-exchange in solid-state NMR

George J. Lu and Stanley J. Opella

The Journal of Chemical Physics, 2014, 140
DOI: 10.1063/1.4869345

Structural Analyses of Alanine Trimer and Tetramer Crystals with Antiparallel and Parallel β-Sheet Structures Using Solid-State 1H Spin-Diffusion 2D Correlation NMR Spectroscopy

Akira Naito, Shunsuke Kametani, Akihiro Aoki and Tetsuo Asakura

J. Phys. Chem. B, 2018, 122, 9373
DOI: 10.1021/acs.jpcb.8b07859

Linear-scaling ab initio simulations of spin diffusion in rotating solids

Frédéric A. Perras and Marek Pruski

The Journal of Chemical Physics, 2019, 151
DOI: 10.1063/1.5099146

Full-Scale Ab Initio Simulation of Magic-Angle-Spinning Dynamic Nuclear Polarization

Frédéric A. Perras, Muralikrishna Raju, Scott L. Carnahan, Dooman Akbarian, Adri C. T. van Duin, Aaron J. Rossini and Marek Pruski

J. Phys. Chem. Lett., 2020, 11, 5655
DOI: 10.1021/acs.jpclett.0c00955

Macroscopic nuclear spin diffusion constants of rotating polycrystalline solids from first-principles simulation

Meghan E. Halse, Alexandre Zagdoun, Jean-Nicolas Dumez and Lyndon Emsley

Journal of Magnetic Resonance, 2015, 254, 48
DOI: 10.1016/j.jmr.2015.02.016

Quantitative Analysis of Solid-State Homonuclear Correlation Spectra of Antiparallel β-Sheet Alanine Tetramers

Akira Naito, Keiko Okushita, Katsuyuki Nishimura, Gregory S. Boutis, Akihiro Aoki and Tetsuo Asakura

J. Phys. Chem. B, 2018, 122, 2715
DOI: 10.1021/acs.jpcb.7b11126

Simulating spin dynamics in organic solids under heteronuclear decoupling

Ilya Frantsuzov, Matthias Ernst, Steven P. Brown and Paul Hodgkinson

Solid State Nuclear Magnetic Resonance, 2015, 70, 28
DOI: 10.1016/j.ssnmr.2015.05.003

Quasi-equilibria in reduced Liouville spaces

Meghan E. Halse, Jean-Nicolas Dumez and Lyndon Emsley

The Journal of Chemical Physics, 2012, 136
DOI: 10.1063/1.4726162

Measuring Nano- to Microstructures from Relayed Dynamic Nuclear Polarization NMR

Arthur C. Pinon, Judith Schlagnitweit, Pierrick Berruyer, Aaron J. Rossini, Moreno Lelli, Etienne Socie, Mingxue Tang, Tran Pham, Anne Lesage, Staffan Schantz and Lyndon Emsley

J. Phys. Chem. C, 2017, 121, 15993
DOI: 10.1021/acs.jpcc.7b04438

Cross-polarization kinetics and fractal nature of thermal equilibration in spin systems: From low-dimensional proton conductors to tripeptides

Laurynas Dagys, Vytautas Klimavicius, Martin Brodrecht, Gerd Buntkowsky and Vytautas Balevicius

Journal of Physics and Chemistry of Solids, 2021, 152, 109946
DOI: 10.1016/j.jpcs.2021.109946

Bullet-DNP Enables NMR Spectroscopy of Pyruvate and Amino Acids at Nanomolar to Low Micromolar Concentrations

Pooja Narwal, Nils Lorz, Masoud Minaei, Sami Jannin, Karel Kouřil, Alvar Gossert and Benno Meier

Anal. Chem., 2024, 96, 14734
DOI: 10.1021/acs.analchem.4c00618