The following lists the preprints and final revised papers published within the last 100 days.
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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07 May 2021
Effects of radial radio-frequency field inhomogeneity on MAS solid-state NMR experiments
Kathrin Aebischer, Zdeněk Tošner, and Matthias Ernst
Magn. Reson. Discuss., https://doi.org/10.5194/mr-2021-43,https://doi.org/10.5194/mr-2021-43, 2021
Preprint under review for MR (discussion: open, 0 comments)
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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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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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03 May 2021
Rapid Scan Electron Paramagnetic Resonance using an EPR-on-a-Chip Sensor
Silvio Künstner, Anh Chu, Klaus-Peter Dinse, Alexander Schnegg, Joseph E. McPeak, Boris Naydenov, Jens Anders, and Klaus Lips
Magn. Reson. Discuss., https://doi.org/10.5194/mr-2021-40,https://doi.org/10.5194/mr-2021-40, 2021
Preprint under review for MR (discussion: open, 0 comments)
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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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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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26 Apr 2021
Magnetostatic reciprocity for MR magnet design
Pedro Freire Silva, Mazin Jouda, and Jan G. Korvink
Magn. Reson. Discuss., https://doi.org/10.5194/mr-2021-34,https://doi.org/10.5194/mr-2021-34, 2021
Preprint under review for MR (discussion: open, 3 comments)
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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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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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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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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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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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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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12 Apr 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. Discuss., https://doi.org/10.5194/mr-2021-37,https://doi.org/10.5194/mr-2021-37, 2021
Preprint under review for MR (discussion: open, 2 comments)
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09 Apr 2021
Insights into Protein Dynamics from 15N-1H HSQC
Erik R. P. Zuiderweg
Magn. Reson. Discuss., https://doi.org/10.5194/mr-2021-30,https://doi.org/10.5194/mr-2021-30, 2021
Preprint under review for MR (discussion: open, 5 comments)
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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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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
A novel multinuclear solid state NMR approach for the characterization of kidney stones
César Leroy, Laure Bonhomme-Coury, Christel Gervais, Frederik Tielens, Florence Babonneau, Michel Daudon, Dominique Bazin, Emmanuel Letavernier, Danielle Laurencin, Dinu Iuga, John Vincent Hanna, Mark Edmund Smith, and Christian Bonhomme
Magn. Reson. Discuss., https://doi.org/10.5194/mr-2021-38,https://doi.org/10.5194/mr-2021-38, 2021
Preprint under review for MR (discussion: open, 2 comments)
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08 Apr 2021
Efficient polynomial analysis of MAS spinning sidebands and application to order parameter determination in anisotropic samples
Günter Hempel, Paul Sotta, Didier R. Long, and Kay Saalwächter
Magn. Reson. Discuss., https://doi.org/10.5194/mr-2021-39,https://doi.org/10.5194/mr-2021-39, 2021
Preprint under review for MR (discussion: open, 1 comment)
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08 Apr 2021
Detecting segmental anisotropic diffusion in disordered proteins by cross-correlated spin-relaxation
Clemens Kauffmann, Irene Ceccolini, Georg Kontaxis, and Robert Konrat
Magn. Reson. Discuss., https://doi.org/10.5194/mr-2021-35,https://doi.org/10.5194/mr-2021-35, 2021
Preprint under review for MR (discussion: open, 7 comments)
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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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01 Apr 2021
Mechanisms of coherent re-arrangement for long-lived spin order
Florin Teleanu and Paul R. Vasos
Magn. Reson. Discuss., https://doi.org/10.5194/mr-2021-36,https://doi.org/10.5194/mr-2021-36, 2021
Preprint under review for MR (discussion: open, 3 comments)
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31 Mar 2021
Application of multiplet structure deconvolution to extract scalar coupling constants from 1D NMR spectra
Damien Jeannerat and Carlos Cobas
Magn. Reson. Discuss., https://doi.org/10.5194/mr-2021-32,https://doi.org/10.5194/mr-2021-32, 2021
Preprint under review for MR (discussion: final response, 4 comments)
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29 Mar 2021
Improved NMR transfer of magnetization from protons to half-integer spin quadrupolar nuclei at moderate and high MAS frequencies
Jennifer S. Gomez, Andrew G. M. Rankin, Julien Trebosc, Frederique Pourpoint, Yu Tsutsumi, Hiroki Nagashima, Olivier Lafon, and Jean-Paul Amoureux
Magn. Reson. Discuss., https://doi.org/10.5194/mr-2021-29,https://doi.org/10.5194/mr-2021-29, 2021
Preprint under review for MR (discussion: final response, 7 comments)
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29 Mar 2021
Heteronuclear and Homonuclear Radio Frequency Driven Recoupling
Evgeny Nimerovsky, Kai Xue, Kumar Tekwani Movellan, and Loren B. Andreas
Magn. Reson. Discuss., https://doi.org/10.5194/mr-2021-31,https://doi.org/10.5194/mr-2021-31, 2021
Revised manuscript under review for MR (discussion: final response, 4 comments)
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26 Mar 2021
129Xe Ultrafast Z-spectroscopy enables micromolar detection of biosensors on a 1T benchtop spectrometer
Kévin Chighine, Estelle Léonce, Céline Boutin, Hervé Desvaux, and Patrick Berthault
Magn. Reson. Discuss., https://doi.org/10.5194/mr-2021-33,https://doi.org/10.5194/mr-2021-33, 2021
Preprint under review for MR (discussion: open, 4 comments)
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24 Mar 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. Discuss., https://doi.org/10.5194/mr-2021-23,https://doi.org/10.5194/mr-2021-23, 2021
Revised manuscript accepted for MR (discussion: closed, 6 comments)
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15 Mar 2021
Solid-State 1H Spin Polarimetry by 13CH3 Nuclear Magnetic Resonance
Stuart J. Elliott, Quentin Stern, and Sami Jannin
Magn. Reson. Discuss., https://doi.org/10.5194/mr-2021-25,https://doi.org/10.5194/mr-2021-25, 2021
Preprint under review for MR (discussion: open, 2 comments)
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12 Mar 2021
Hyperpolarization and the Physical Boundary of Liouville Space
Malcolm H. Levitt and Christian Bengs
Magn. Reson. Discuss., https://doi.org/10.5194/mr-2021-26,https://doi.org/10.5194/mr-2021-26, 2021
Preprint under review for MR (discussion: final response, 11 comments)
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12 Mar 2021
NMR free ligand conformations and atomic resolution dynamics
Amber Y. S. Balazs, Nichola L. Davies, David Longmire, Martin J. Packer, and Elisabetta Chiarparin
Magn. Reson. Discuss., https://doi.org/10.5194/mr-2021-27,https://doi.org/10.5194/mr-2021-27, 2021
Preprint under review for MR (discussion: final response, 4 comments)
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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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05 Mar 2021
Using delayed decoupling to attenuate residual signals in editing filters
Kenneth A. Marincin, Indrani Pal, and Dominique P. Frueh
Magn. Reson. Discuss., https://doi.org/10.5194/mr-2021-24,https://doi.org/10.5194/mr-2021-24, 2021
Revised manuscript under review for MR (discussion: final response, 5 comments)
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25 Feb 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. Discuss., https://doi.org/10.5194/mr-2021-20,https://doi.org/10.5194/mr-2021-20, 2021
Revised manuscript accepted for MR (discussion: closed, 7 comments)
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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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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16 Feb 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. Discuss., https://doi.org/10.5194/mr-2021-14,https://doi.org/10.5194/mr-2021-14, 2021
Revised manuscript accepted for MR (discussion: closed, 3 comments)
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10 Feb 2021
Real-time NMR 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. Discuss., https://doi.org/10.5194/mr-2021-16,https://doi.org/10.5194/mr-2021-16, 2021
Revised manuscript accepted for MR (discussion: closed, 3 comments)
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05 Feb 2021
High Affinity Tamoxifen Analogues Retain Extensive Positional Disorder when Bound to Calmodulin
Lilia Milanesi, Clare R. Trevitt, Brian Whitehead, Andrea M. Hounslow, Salvador Tomas, Laszlo L. P. Hosszu, Christopher A. Hunter, and Jonathan P. Waltho
Magn. Reson. Discuss., https://doi.org/10.5194/mr-2021-7,https://doi.org/10.5194/mr-2021-7, 2021
Revised manuscript accepted for MR (discussion: final response, 4 comments)
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02 Feb 2021
A novel sample handling system for dissolution dynamic nuclear polarization experiments
Thomas Kress, Kateryna Che, Ludovica M. Epasto, Fanny Kozak, Gregory L. Olsen, Albina Selimovic, and Dennis Kurzbach
Magn. Reson. Discuss., https://doi.org/10.5194/mr-2021-12,https://doi.org/10.5194/mr-2021-12, 2021
Revised manuscript under review for MR (discussion: final response, 6 comments)
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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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