doi:https://doi.org/

Volume 2, issue 1

06 Jan 2021

Phosphoserine for the generation of lanthanide-binding sites on proteins for paramagnetic nuclear magnetic resonance spectroscopy

Sreelakshmi Mekkattu Tharayil, Mithun Chamikara Mahawaththa, Choy-Theng Loh, Ibidolapo Adekoya, and Gottfried Otting

Magn. Reson., 2, 1–13, https://doi.org/10.5194/mr-2-1-2021,https://doi.org/10.5194/mr-2-1-2021, 2021

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29 Jan 2021

Towards resolving the complex paramagnetic nuclear magnetic resonance (NMR) spectrum of small laccase: assignments of resonances to residue-specific nuclei

Rubin Dasgupta, Karthick B. S. S. Gupta, Huub J. M. de Groot, and Marcellus Ubbink

Magn. Reson., 2, 15–23, https://doi.org/10.5194/mr-2-15-2021,https://doi.org/10.5194/mr-2-15-2021, 2021

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29 Jan 2021

Revisiting paramagnetic relaxation enhancements in slowly rotating systems: how long is the long range?

Giovanni Bellomo, Enrico Ravera, Vito Calderone, Mauro Botta, Marco Fragai, Giacomo Parigi, and Claudio Luchinat

Magn. Reson., 2, 25–31, https://doi.org/10.5194/mr-2-25-2021,https://doi.org/10.5194/mr-2-25-2021, 2021

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17 Feb 2021

Room-temperature hyperpolarization of polycrystalline samples with optically polarized triplet electrons: pentacene or nitrogen-vacancy center in diamond?

Koichiro Miyanishi, Takuya F. Segawa, Kazuyuki Takeda, Izuru Ohki, Shinobu Onoda, Takeshi Ohshima, Hiroshi Abe, Hideaki Takashima, Shigeki Takeuchi, Alexander I. Shames, Kohki Morita, Yu Wang, Frederick T.-K. So, Daiki Terada, Ryuji Igarashi, Akinori Kagawa, Masahiro Kitagawa, Norikazu Mizuochi, Masahiro Shirakawa, and Makoto Negoro

Magn. Reson., 2, 33–48, https://doi.org/10.5194/mr-2-33-2021,https://doi.org/10.5194/mr-2-33-2021, 2021

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18 Feb 2021

Open-source, partially 3D-printed, high-pressure (50-bar) liquid-nitrogen-cooled parahydrogen generator

Frowin Ellermann, Andrey Pravdivtsev, and Jan-Bernd Hövener

Magn. Reson., 2, 49–62, https://doi.org/10.5194/mr-2-49-2021,https://doi.org/10.5194/mr-2-49-2021, 2021

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10 Mar 2021

Fragile protein folds: sequence and environmental factors affecting the equilibrium of two interconverting, stably folded protein conformations

Xingjian Xu, Igor Dikiy, Matthew R. Evans, Leandro P. Marcelino, and Kevin H. Gardner

Magn. Reson., 2, 63–76, https://doi.org/10.5194/mr-2-63-2021,https://doi.org/10.5194/mr-2-63-2021, 2021

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06 Apr 2021

Simple rules for resolved level-crossing spectra in magnetic field effects on reaction yields

Dmitri V. Stass, Victor A. Bagryansky, and Yuri N. Molin

Magn. Reson., 2, 77–91, https://doi.org/10.5194/mr-2-77-2021,https://doi.org/10.5194/mr-2-77-2021, 2021

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08 Apr 2021

Pd-based bimetallic catalysts for parahydrogen-induced polarization in heterogeneous hydrogenations

Dudari B. Burueva, Aleksandr Y. Stakheev, and Igor V. Koptyug

Magn. Reson., 2, 93–103, https://doi.org/10.5194/mr-2-93-2021,https://doi.org/10.5194/mr-2-93-2021, 2021

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08 Apr 2021

Extending the applicability of P3D for structure determination of small molecules

Alain Ibáñez de Opakua and Markus Zweckstetter

Magn. Reson., 2, 105–116, https://doi.org/10.5194/mr-2-105-2021,https://doi.org/10.5194/mr-2-105-2021, 2021

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12 Apr 2021

Overhauser dynamic nuclear polarization (ODNP)-enhanced two-dimensional proton NMR spectroscopy at low magnetic fields

Timothy J. Keller and Thorsten Maly

Magn. Reson., 2, 117–128, https://doi.org/10.5194/mr-2-117-2021,https://doi.org/10.5194/mr-2-117-2021, 2021

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13 Apr 2021

Four-dimensional NOE-NOE spectroscopy of SARS-CoV-2 Main Protease to facilitate resonance assignment and structural analysis

Angus J. Robertson, Jinfa Ying, and Ad Bax

Magn. Reson., 2, 129–138, https://doi.org/10.5194/mr-2-129-2021,https://doi.org/10.5194/mr-2-129-2021, 2021

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13 Apr 2021

Exchange interaction in short-lived flavine adenine dinucleotide biradical in aqueous solution revisited by CIDNP (chemically induced dynamic nuclear polarization) and nuclear magnetic relaxation dispersion

Ivan V. Zhukov, Alexey S. Kiryutin, Mikhail S. Panov, Natalya N. Fishman, Olga B. Morozova, Nikita N. Lukzen, Konstantin L. Ivanov, Hans-Martin Vieth, Renad Z. Sagdeev, and Alexandra V. Yurkovskaya

Magn. Reson., 2, 139–148, https://doi.org/10.5194/mr-2-139-2021,https://doi.org/10.5194/mr-2-139-2021, 2021

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16 Apr 2021

When the MOUSE leaves the house

Bernhard Blümich and Jens Anders

Magn. Reson., 2, 149–160, https://doi.org/10.5194/mr-2-149-2021,https://doi.org/10.5194/mr-2-149-2021, 2021

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16 Apr 2021

The decay of the refocused Hahn echo in double electron–electron resonance (DEER) experiments

Thorsten Bahrenberg, Samuel M. Jahn, Akiva Feintuch, Stefan Stoll, and Daniella Goldfarb

Magn. Reson., 2, 161–173, https://doi.org/10.5194/mr-2-161-2021,https://doi.org/10.5194/mr-2-161-2021, 2021

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16 Apr 2021

Approximate representations of shaped pulses using the homotopy analysis method

Timothy Crawley and Arthur G. Palmer III

Magn. Reson., 2, 175–186, https://doi.org/10.5194/mr-2-175-2021,https://doi.org/10.5194/mr-2-175-2021, 2021

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21 Apr 2021

Characterization of nucleosome sediments for protein interaction studies by solid-state NMR spectroscopy

Ulric B. le Paige, ShengQi Xiang, Marco M. R. M. Hendrix, Yi Zhang, Gert E. Folkers, Markus Weingarth, Alexandre M. J. J. Bonvin, Tatiana G. Kutateladze, Ilja K. Voets, Marc Baldus, and Hugo van Ingen

Magn. Reson., 2, 187–202, https://doi.org/10.5194/mr-2-187-2021,https://doi.org/10.5194/mr-2-187-2021, 2021

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26 Apr 2021

The long-standing relationship between paramagnetic NMR and iron–sulfur proteins: the mitoNEET example. An old method for new stories or the other way around?

Francesca Camponeschi, Angelo Gallo, Mario Piccioli, and Lucia Banci

Magn. Reson., 2, 203–221, https://doi.org/10.5194/mr-2-203-2021,https://doi.org/10.5194/mr-2-203-2021, 2021

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26 Apr 2021

Conformational features and ionization states of Lys side chains in a protein studied using the stereo-array isotope labeling (SAIL) method

Mitsuhiro Takeda, Yohei Miyanoiri, Tsutomu Terauchi, and Masatsune Kainosho

Magn. Reson., 2, 223–237, https://doi.org/10.5194/mr-2-223-2021,https://doi.org/10.5194/mr-2-223-2021, 2021

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27 Apr 2021

Competing transfer pathways in direct and indirect dynamic nuclear polarization magic anglespinning nuclear magnetic resonance experiments on HIV-1 capsid assemblies: implications for sensitivity and resolution

Ivan V. Sergeyev, Caitlin M. Quinn, Jochem Struppe, Angela M. Gronenborn, and Tatyana Polenova

Magn. Reson., 2, 239–249, https://doi.org/10.5194/mr-2-239-2021,https://doi.org/10.5194/mr-2-239-2021, 2021

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05 May 2021

Bootstrap aggregation for model selection in the model-free formalism

Timothy Crawley and Arthur G. Palmer III

Magn. Reson., 2, 251–264, https://doi.org/10.5194/mr-2-251-2021,https://doi.org/10.5194/mr-2-251-2021, 2021

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06 May 2021

An electrochemical cell for in operando ¹³C nuclear magnetic resonance investigations of carbon dioxide/carbonate processes in aqueous solution

Sven Jovanovic, P. Philipp M. Schleker, Matthias Streun, Steffen Merz, Peter Jakes, Michael Schatz, Rüdiger-A. Eichel, and Josef Granwehr

Magn. Reson., 2, 265–280, https://doi.org/10.5194/mr-2-265-2021,https://doi.org/10.5194/mr-2-265-2021, 2021

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07 May 2021

Non-classical disproportionation revealed by photo-chemically induced dynamic nuclear polarization NMR

Jakob Wörner, Jing Chen, Adelbert Bacher, and Stefan Weber

Magn. Reson., 2, 281–290, https://doi.org/10.5194/mr-2-281-2021,https://doi.org/10.5194/mr-2-281-2021, 2021

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11 May 2021

Real-time nuclear magnetic resonance spectroscopy in the study of biomolecular kinetics and dynamics

György Pintér, Katharina F. Hohmann, J. Tassilo Grün, Julia Wirmer-Bartoschek, Clemens Glaubitz, Boris Fürtig, and Harald Schwalbe

Magn. Reson., 2, 291–320, https://doi.org/10.5194/mr-2-291-2021,https://doi.org/10.5194/mr-2-291-2021, 2021

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12 May 2021

Exploration of the close chemical space of tryptophan and tyrosine reveals importance of hydrophobicity in CW-photo-CIDNP performances

Felix Torres, Alois Renn, and Roland Riek

Magn. Reson., 2, 321–329, https://doi.org/10.5194/mr-2-321-2021,https://doi.org/10.5194/mr-2-321-2021, 2021

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19 May 2021

Determination of hydrogen exchange and relaxation parameters in PHIP complexes at micromolar concentrations

Lisanne Sellies, Ruud L. E. G. Aspers, and Marco Tessari

Magn. Reson., 2, 331–340, https://doi.org/10.5194/mr-2-331-2021,https://doi.org/10.5194/mr-2-331-2021, 2021

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26 May 2021

In memoriam Konstantin L'vovich Ivanov

Alexandra Yurkovskaya and Geoffrey Bodenhausen

Magn. Reson., 2, 341–342, https://doi.org/10.5194/mr-2-341-2021,https://doi.org/10.5194/mr-2-341-2021, 2021

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28 May 2021

Heteronuclear and homonuclear radio-frequency-driven recoupling

Evgeny Nimerovsky, Kai Xue, Kumar Tekwani Movellan, and Loren B. Andreas

Magn. Reson., 2, 343–353, https://doi.org/10.5194/mr-2-343-2021,https://doi.org/10.5194/mr-2-343-2021, 2021

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02 Jun 2021

Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling

Nestor Kamdem, Yvette Roske, Dmytro Kovalskyy, Maxim O. Platonov, Oleksii Balinskyi, Annika Kreuchwig, Jörn Saupe, Liang Fang, Anne Diehl, Peter Schmieder, Gerd Krause, Jörg Rademann, Udo Heinemann, Walter Birchmeier, and Hartmut Oschkinat

Magn. Reson., 2, 355–374, https://doi.org/10.5194/mr-2-355-2021,https://doi.org/10.5194/mr-2-355-2021, 2021

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04 Jun 2021

Structural polymorphism and substrate promiscuity of a ribosome-associated molecular chaperone

Chih-Ting Huang, Yei-Chen Lai, Szu-Yun Chen, Meng-Ru Ho, Yun-Wei Chiang, and Shang-Te Danny Hsu

Magn. Reson., 2, 375–386, https://doi.org/10.5194/mr-2-375-2021,https://doi.org/10.5194/mr-2-375-2021, 2021

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04 Jun 2021

A novel sample handling system for dissolution dynamic nuclear polarization experiments

Thomas Kress, Kateryna Che, Ludovica M. Epasto, Fanny Kozak, Mattia Negroni, Gregory L. Olsen, Albina Selimovic, and Dennis Kurzbach

Magn. Reson., 2, 387–394, https://doi.org/10.5194/mr-2-387-2021,https://doi.org/10.5194/mr-2-387-2021, 2021

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08 Jun 2021

Hyperpolarization and the physical boundary of Liouville space

Malcolm H. Levitt and Christian Bengs

Magn. Reson., 2, 395–407, https://doi.org/10.5194/mr-2-395-2021,https://doi.org/10.5194/mr-2-395-2021, 2021

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11 Jun 2021

¹²⁹Xe ultra-fast Z spectroscopy enables micromolar detection of biosensors on a 1 T benchtop spectrometer

Kévin Chighine, Estelle Léonce, Céline Boutin, Hervé Desvaux, and Patrick Berthault

Magn. Reson., 2, 409–420, https://doi.org/10.5194/mr-2-409-2021,https://doi.org/10.5194/mr-2-409-2021, 2021

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15 Jun 2021

Extended Bloch–McConnell equations for mechanistic analysis of hyperpolarized ¹³C magnetic resonance experiments on enzyme systems

Thomas R. Eykyn, Stuart J. Elliott, and Philip W. Kuchel

Magn. Reson., 2, 421–446, https://doi.org/10.5194/mr-2-421-2021,https://doi.org/10.5194/mr-2-421-2021, 2021

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17 Jun 2021

Improved NMR transfer of magnetization from protons to half-integer spin quadrupolar nuclei at moderate and high magic-angle spinning frequencies

Jennifer S. Gómez, Andrew G. M. Rankin, Julien Trébosc, Frédérique Pourpoint, Yu Tsutsumi, Hiroki Nagashima, Olivier Lafon, and Jean-Paul Amoureux

Magn. Reson., 2, 447–464, https://doi.org/10.5194/mr-2-447-2021,https://doi.org/10.5194/mr-2-447-2021, 2021

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17 Jun 2021

Introduction to a special issue of Magnetic Resonance in honour of Robert Kaptein at the occasion of his 80th birthday

Rolf Boelens, Konstantin Ivanov, and Jörg Matysik

Magn. Reson., 2, 465–474, https://doi.org/10.5194/mr-2-465-2021,https://doi.org/10.5194/mr-2-465-2021, 2021

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21 Jun 2021

Using delayed decoupling to attenuate residual signals in editing filters

Kenneth A. Marincin, Indrani Pal, and Dominique P. Frueh

Magn. Reson., 2, 475–487, https://doi.org/10.5194/mr-2-475-2021,https://doi.org/10.5194/mr-2-475-2021, 2021

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23 Jun 2021

Nuclear magnetic resonance free ligand conformations and atomic resolution dynamics

Amber Y. S. Balazs, Nichola L. Davies, David Longmire, Martin J. Packer, and Elisabetta Chiarparin

Magn. Reson., 2, 489–498, https://doi.org/10.5194/mr-2-489-2021,https://doi.org/10.5194/mr-2-489-2021, 2021

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01 Jul 2021

Residual dipolar line width in magic-angle spinning proton solid-state NMR

Matías Chávez, Thomas Wiegand, Alexander A. Malär, Beat H. Meier, and Matthias Ernst

Magn. Reson., 2, 499–509, https://doi.org/10.5194/mr-2-499-2021,https://doi.org/10.5194/mr-2-499-2021, 2021

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01 Jul 2021

Exclusively heteronuclear NMR experiments for the investigation of intrinsically disordered proteins: focusing on proline residues

Isabella C. Felli, Wolfgang Bermel, and Roberta Pierattelli

Magn. Reson., 2, 511–522, https://doi.org/10.5194/mr-2-511-2021,https://doi.org/10.5194/mr-2-511-2021, 2021

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01 Jul 2021

Effects of radial radio-frequency field inhomogeneity on MAS solid-state NMR experiments

Kathrin Aebischer, Zdeněk Tošner, and Matthias Ernst

Magn. Reson., 2, 523–543, https://doi.org/10.5194/mr-2-523-2021,https://doi.org/10.5194/mr-2-523-2021, 2021

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