Publications

List of publications

We have an updated list of publications that gives you free access to the PDF files on our personal web site Paris en Resonance! For publication list follow this link.


2021

DNPSOUP: A simulation software package for dynamic nuclear polarization Article de journal

Chen Yang; Kong Ooi Tan; R G Griffin

Journal of Magnetic Resonance, p. 107107, 2021, ISSN: 1090-7807.

Time domain DNP at 1.2 T Article de journal

T V Can; K O Tan; C Yang; R T Weber; R G Griffin

Journal of Magnetic Resonance, 329 , p. 107012, 2021, ISSN: 1090-7807.

2020

Spin Thermometry: A Straightforward Measure of Millikelvin Deuterium Spin Temperatures Achieved by Dynamic Nuclear Polarization Article de journal

Behdad Aghelnejad; Sina Marhabaie; Mathieu Baudin; Geoffrey Bodenhausen; Diego Carnevale

The Journal of Physical Chemistry Letters, 11 (9), p. 3219–3225, 2020, ISSN: 1948-7185.

Self‐Assembly of DNA and RNA Building Blocks Explored by Nitrogen‐14 NMR Crystallography: Structure and Dynamics Article de journal

Diego Carnevale; Marcel Hollenstein; Geoffrey Bodenhausen

ChemPhysChem, 21 (10), p. 1044–1051, 2020, ISSN: 1439-4235.

Adiabatic Solid Effect Article de journal

Kong Ooi Tan; Ralph T Weber; Thach Van Can; Robert G Griffin

The Journal of Physical Chemistry Letters, 11 (9), p. 3416–3421, 2020, ISSN: 1948-7185.

Theoretical and computational framework for the analysis of the relaxation properties of arbitrary spin systems. Application to high-resolution relaxometry Article de journal

Nicolas Bolik-Coulon; Pavel Kadeřávek; Philippe Pelupessy; Jean-Nicolas Dumez; Fabien Ferrage; Samuel F Cousin

Journal of Magnetic Resonance, 313 , p. 106718, 2020, ISSN: 10907807.

Sensitivity-enhanced three-dimensional and carbon-detected two-dimensional NMR of proteins using hyperpolarized water Article de journal

Gregory L Olsen; Or Szekely; Borja Mateos; Pavel Kadeřávek; Fabien Ferrage; Robert Konrat; Roberta Pierattelli; Isabella C Felli; Geoffrey Bodenhausen; Dennis Kurzbach; Lucio Frydman

Journal of Biomolecular NMR, 74 (2-3), p. 161–171, 2020, ISSN: 0925-2738.

Boosting the resolution of low-field $$^15hbox N$$ relaxation experiments on intrinsically disordered proteins with triple-resonance NMR Article de journal

Zuzana Jaseňáková; Vojtěch Zapletal; Petr Padrta; Milan Zachrdla; Nicolas Bolik-Coulon; Thorsten Marquardsen; Jean-Max Tyburn; Lukáš Žídek; Fabien Ferrage; Pavel Kadeřávek

Journal of Biomolecular NMR, 74 (2-3), p. 139–145, 2020, ISSN: 0925-2738.

2019

Pulsed Dynamic Nuclear Polarization incollection

Kong Ooi Tan; Sudheer Jawla; Richard J Temkin; Robert G Griffin

eMagRes, p. 339–352, 2019, ISBN: 9780470034590.

Reducing bias in the analysis of solution-state NMR data with dynamics detectors Article de journal

Albert A. Smith; Matthias Ernst; Beat H. Meier; Fabien Ferrage

Journal of Chemical Physics, 151 , p. 034102, 2019.

Three-spin solid effect and the spin diffusion barrier in amorphous solids Article de journal

Kong Ooi Tan; Michael Mardini; Chen Yang; Jan Henrik Ardenkjær-Larsen; Robert Guy Griffin

Science Advances, 5 (7), p. eaax2743, 2019, ISSN: 2375-2548.

A Low-Temperature Broadband NMR Probe for Multinuclear Cross-Polarization Article de journal

Behdad Aghelnejad; Geoffrey Bodenhausen; Sina Marhabaie

ChemPhysChem, 20 (21), p. 2830–2835, 2019, ISSN: 14397641.

Long-Lived States in Hyperpolarized Deuterated Methyl Groups Reveal Weak Binding of Small Molecules to Proteins Article de journal

Thomas Kress; Astrid Walrant; Geoffrey Bodenhausen; Dennis Kurzbach

The Journal of Physical Chemistry Letters, (i), p. 1523–1529, 2019, ISSN: 1948-7185.

Time-optimized pulsed dynamic nuclear polarization Article de journal

Kong Ooi Tan; Chen Yang; Ralph T Weber; Guinevere Mathies; Robert G Griffin

Science Advances, 5 (1), p. eaav6909, 2019, ISSN: 2375-2548.

2018

Dipolar Couplings in Solid Polypeptides Probed by 14N NMR Spectroscopy Article de journal

Diego Carnevale; Benoit Grosjean; Geoffrey Bodenhausen

Communications Chemistry, 1 (1), p. 73, 2018, ISSN: 2399-3669.

Efficient low-power TOBSY sequences for fast MAS Article de journal

Kong Ooi Tan; Vipin Agarwal; Nils-Alexander Lakomek; Susanne Penzel; Beat H Meier; Matthias Ernst

Solid State Nuclear Magnetic Resonance, 89 (October), p. 27–34, 2018, ISSN: 09262040.

Targeting the Pentose Phosphate Pathway: Characterization of a New 6PGL Inhibitor Article de journal

A T Tran; A Sadet; P Calligari; P Lopes; J Ouazzani; M Sollogoub; E Miclet; D Abergel

Biophysical Journal, 115 (11), p. 2114–2126, 2018.

Sample Ripening through Nanophase Separation Influences the Performance of Dynamic Nuclear Polarization Article de journal

E M M Weber; G Sicoli; H Vezin; G Frébourg; D Abergel; G Bodenhausen; D Kurzbach

Angewandte Chemie - International Edition, 57 (18), p. 5171–5175, 2018.

Relaxation of long-lived modes in NMR of deuterated methyl groups Article de journal

K L Ivanov; T Kress; M Baudin; D Guarin; D Abergel; G Bodenhausen; D Kurzbach

Journal of Chemical Physics, 149 (5), 2018.

Rates of Chemical Reactions Embedded in a Metabolic Network by Dissolution Dynamic Nuclear Polarisation NMR Article de journal

A Sadet; E M M Weber; A Jhajharia; D Kurzbach; G Bodenhausen; E Miclet; D Abergel

Chemistry - A European Journal, 24 (21), p. 5456–5461, 2018.

Metal-free class Ie ribonucleotide reductase from pathogens initiates catalysis with a tyrosine-derived dihydroxyphenylalanine radical Article de journal

Elizabeth J Blaesi; Gavin M Palowitch; Kai Hu; Amelia J Kim; Hannah R Rose; Rahul Alapati; Marshall G Lougee; Hee Jong Kim; Alexander T Taguchi; Kong Ooi Tan; others

Proceedings of the National Academy of Sciences, 115 (40), p. 10022–10027, 2018.

2017

Single-Scan 13C Diffusion-Ordered NMR Spectroscopy of DNP-Hyperpolarised Substrates Article de journal

L Guduff; D Kurzbach; C van Heijenoort; D Abergel; J -N Dumez

Chemistry - A European Journal, 23 (66), p. 16722–16727, 2017.

Communication: Dissolution DNP reveals a long-lived deuterium spin state imbalance in methyl groups Article de journal

A Jhajharia; E M M Weber; J G Kempf; D Abergel; G Bodenhausen; D Kurzbach

Journal of Chemical Physics, 146 (4), 2017.

Characterizing Thermal Mixing Dynamic Nuclear Polarization via Cross-Talk between Spin Reservoirs Article de journal

D Guarin; S Marhabaie; A Rosso; D Abergel; G Bodenhausen; K L Ivanov; D Kurzbach

Journal of Physical Chemistry Letters, 8 (22), p. 5531–5536, 2017.

Anisotropic longitudinal electronic relaxation affects DNP at cryogenic temperatures Article de journal

E M M Weber; H Vezin; J G Kempf; G Bodenhausen; D Abergél; D Kurzbach

Physical Chemistry Chemical Physics, 19 (24), p. 16087–16094, 2017.

Decomposition of proteins into dynamic units from atomic cross-correlation functions Article de journal

P Calligari; M Gerolin; D Abergel; A Polimeno

Journal of Chemical Theory and Computation, 13 (1), p. 309–319, 2017.

Optimizing symmetry-based recoupling sequences in solid-state NMR by pulse-transient compensation and asynchronous implementation Article de journal

Johannes Hellwagner; Kshama Sharma; Kong Ooi Tan; Johannes J Wittmann; Beat H Meier; Perunthiruthy K Madhu; Matthias Ernst

The Journal of chemical physics, 146 (24), p. 244202, 2017.

Peptide and protein dynamics and low-temperature/DNP magic angle spinning NMR Article de journal

Qing Zhe Ni; Evgeny Markhasin; Thach V Can; Björn Corzilius; Kong Ooi Tan; Alexander B Barnes; Eugenio Daviso; Yongchao Su; Judith Herzfeld; Robert G Griffin

The Journal of Physical Chemistry B, 121 (19), p. 4997–5006, 2017.

2016

Dissolution dynamic nuclear polarization of deuterated molecules enhanced by cross- polarization Article de journal

D Kurzbach; E M M Weber; A Jhajharia; S F Cousin; A Sadet; S Marhabaie; E Canet; N Birlirakis; J Milani; S Jannin; D Eshchenko; A Hassan; R Melzi; S Luetolf; M Sacher; M Rossire; J Kempf; J A B Lohman; M Weller; G Bodenhausen; D Abergel

Journal of Chemical Physics, 145 (19), 2016.

A generalized theoretical framework for the description of spin decoupling in solid-state MAS NMR: Offset effect on decoupling performance Article de journal

Kong Ooi Tan; Vipin Agarwal; Beat H Meier; Matthias Ernst

The Journal of chemical physics, 145 (9), p. 094201, 2016.

Improved transfer efficiencies in radio-frequency-driven recoupling solid-state NMR by adiabatic sweep through the dipolar recoupling condition Article de journal

Lasse A Straasø; Ravi Shankar; Kong Ooi Tan; Johannes Hellwagner; Beat H Meier; Michael Ryan Hansen; Niels Chr Nielsen; Thomas Vosegaard; Matthias Ernst; Anders B Nielsen

The Journal of chemical physics, 145 (3), p. 034201, 2016.

Theoretical description of RESPIRATION-CP Article de journal

Anders B Nielsen; Kong Ooi Tan; Ravi Shankar; Susanne Penzel; Riccardo Cadalbert; Ago Samoson; Beat H Meier; Matthias Ernst

Chemical Physics Letters, 645 , p. 150–156, 2016.

2015

Asynchronous symmetry-based sequences for homonuclear dipolar recoupling in solid-state nuclear magnetic resonance Article de journal

Kong Ooi Tan; M Rajeswari; PK Madhu; Matthias Ernst

The Journal of chemical physics, 142 (6), p. 02B605_1, 2015.

2014

Toward quantitative measurements of enzyme kinetics by dissolution dynamic nuclear polarization Article de journal

E Miclet; D Abergel; A Bornet; J Milani; S Jannin; G Bodenhausen

Journal of Physical Chemistry Letters, 5 (19), p. 3290–3295, 2014.

Multiple scale dynamics in proteins probed at multiple time scales through fluctuations of NMR chemical shifts Article de journal

P Calligari; D Abergel

Journal of Physical Chemistry B, 118 (14), p. 3823–3831, 2014.

On the reliability of NMR relaxation data analyses: A Markov Chain Monte Carlo approach Article de journal

D Abergel; A Volpato; E P Coutant; A Polimeno

Journal of Magnetic Resonance, 246 , p. 94–103, 2014.

Broad-band DREAM recoupling sequence Article de journal

Kong Ooi Tan; Anders B Nielsen; Beat H Meier; Matthias Ernst

The journal of physical chemistry letters, 5 (19), p. 3366–3372, 2014.

Improved decoupling during symmetry-based C9-TOBSY sequences Article de journal

Kong Ooi Tan; Ingo Scholz; Jacco D van Beek; Beat H Meier; Matthias Ernst

Journal of Magnetic Resonance, 239 , p. 61–68, 2014.

2013

Selective inversion of 1H resonances in solid-state nuclear magnetic resonance: Use of double-DANTE pulse sequence Article de journal

Venus Singh Mithu; Kong Ooi Tan; PK Madhu

Journal of Magnetic Resonance, 237 , p. 11–16, 2013.

2012

Probing structural and motional features of the c-terminal part of the human Centrin 2/P17-XPC microcrystalline complex by solid-state NMR spectroscopy Article de journal

J -E Herbert-Pucheta; M Chan-Huot; L Duma; D Abergel; G Bodenhausen; L Assairi; Y Blouquit; J -B Charbonnier; P Tekely

Journal of Physical Chemistry B, 116 (50), p. 14581–14591, 2012.

Insights into internal dynamics of 6-phosphogluconolactonase from Trypanosoma brucei studied by nuclear magnetic resonance and molecular dynamics Article de journal

P A Calligari; G F Salgado; P Pelupessy; P Lopes; J Ouazzani; G Bodenhausen; D Abergel

Proteins: Structure, Function and Bioinformatics, 80 (4), p. 1196–1210, 2012.

Toward the characterization of fractional stochastic processes underlying methyl dynamics in proteins Article de journal

P Calligari; D Abergel

Journal of Physical Chemistry B, 116 (43), p. 12955–12965, 2012.

Large-scale production of microcrystals and precipitates of proteins and their complexes Article de journal

M Chan-Huot; L Duma; J -B Charbonnier; J -E Herbert-Pucheta; L Assairi; Y Blouquit; D Abergel; G Bodenhausen

Crystal Growth and Design, 12 (12), p. 6199–6207, 2012.

2011

From NMR relaxation to fractional brownian dynamics in proteins: Results from a virtual experiment Article de journal

P Calligari; V Calandrini; G R Kneller; D Abergel

Journal of Physical Chemistry B, 115 (43), p. 12370–12379, 2011.

2010

Fractional protein dynamics seen by nuclear magnetic resonance spectroscopy: Relating molecular dynamics simulation and experiment Article de journal

V Calandrini; D Abergel; G R Kneller

Journal of Chemical Physics, 133 (14), 2010.

Structure, Dynamics and Thermodynamics of the Human Centrin 2/hSfi1 Complex Article de journal

J Martinez-Sanz; F Kateb; L Assairi; Y Blouquit; G Bodenhausen; D Abergel; L Mouawad; C T Craescu

Journal of Molecular Biology, 395 (1), p. 191–204, 2010.

Toward structural dynamics: Protein motions viewed by chemical shift modulations and direct detection of CŃ multiple-quantum relaxation Article de journal

M Mori; F Kateb; G Bodenhausen; M Piccioli; D Abergel

Journal of the American Chemical Society, 132 (10), p. 3594–3600, 2010.

2009

Generating spin turbulence through nonlinear excitation in liquid-state NMR Article de journal

D Abergel; A Louis-Joseph

Journal of Magnetic Resonance, 196 (2), p. 115–118, 2009.

2008

Broadband dipolar recoupling for magnetization transfer in solid-state NMR correlation spectroscopy Article de journal

L Duma; D Abergel; F Ferrage; P Pelupessy; P Tekely; G Bodenhausen

ChemPhysChem, 9 (8), p. 1104–1106, 2008.

Predicting NMR relaxation rates in anisotropically tumbling proteins through networks of coupled rotators Article de journal

G Nodet; D Abergel; G Bodenhausen

ChemPhysChem, 9 (4), p. 625–633, 2008.

Proton chemical shift anisotropy measurements of hydrogen-bonded functional groups by fast magic-angle spinning solid-state NMR spectroscopy Article de journal

L Duma; D Abergel; P Tekely; G Bodenhausen

Chemical Communications, (20), p. 2361–2363, 2008.

Towards the prediction of NMR relaxation rates in proteins from their structure by a network of coupled rotators Article de journal

G Nodet; G Bodenhausen; D Abergel

Comptes Rendus Chimie, 11 (4-5), p. 524–529, 2008.

2007

An overview of recent developments in the interpretation and prediction of fast internal protein dynamics Article de journal

G Nodet; D Abergel

European Biophysics Journal, 36 (8), p. 985–993, 2007.

Networks of coupled rotators: Relationship between structures and internal dynamics in metal-binding proteins. Applications to apo- and holo-calbindin Article de journal

A Dhulesia; D Abergel; G Bodenhausen

Journal of the American Chemical Society, 129 (16), p. 4998–5006, 2007.

Weak calcium-mediated interactions between Lewis X-related trisaccharides studied by NMR measurements of residual dipolar couplings Article de journal

G Nodet; L Poggi; D Abergel; C Gourmala; D Dong; Y Zhang; J -M Mallet; G Bodenhausen

Journal of the American Chemical Society, 129 (29), p. 9080–9085, 2007.

2006

Determination of dihedral Ψ angles in large proteins by combining NHN/CαHα dipole/dipole cross-correlation and chemical shifts Article de journal

K Loth; D Abergel; P Pelupessy; M Delarue; P Lopes; J Ouazzani; N Duclert-Savatier; M Nilges; G Bodenhausen; V Stoven

Proteins: Structure, Function and Genetics, 64 (4), p. 931–939, 2006.

Slow backbone dynamics of the C-terminal fragment of human centrin 2 in complex with a target peptide probed by cross-correlated relaxation in multiple-quantum NMR spectroscopy Article de journal

F Kateb; D Abergel; Y Blouquit; P Duchambon; C T Craescu; G Bodenhausen

Biochemistry, 45 (50), p. 15011–15019, 2006.

2005

A Markov model for relaxation and exchange in NMR spectroscopy Article de journal

D Abergel; A G Palmer III

Journal of Physical Chemistry B, 109 (11), p. 4837–4844, 2005.

2004

Cross-correlated relaxation in NMR of macromolecules in the presence of fast and slow internal dynamics Article de journal

L Vugmeyster; P Pelupessy; B E Vugmeister; D Abergel; G Bodenhausen

Comptes Rendus Physique, 5 (3), p. 377–386, 2004.

A simple model for NMR relaxation in the presence of internal motions with dynamical coupling Article de journal

D Abergel; G Bodenhausen

Journal of Chemical Physics, 121 (2), p. 761–768, 2004.