Goslar, J., S.K. Hoffmann, and S. Lijewski, Dynamics of 4-oxo-TEMPO-d16-(15)N nitroxide-propylene glycol system studied by ESR and ESE in liquid and glassy state in temperature range 10-295K. J Magn Reson, 2016. 269: p. 162-75.
ESR spectra and electron spin relaxation of nitroxide radical in 4-oxo-TEMPO-d16-(15)N in propylene glycol were studied at X-band in the temperature range 10-295K. The spin-lattice relaxation in the liquid viscous state determined from the resonance line shape is governed by three mechanisms occurring during isotropic molecular reorientations. In the glassy state below 200K the spin-lattice relaxation, phase relaxation and electron spin echo envelope modulations (ESEEM) were studied by pulse spin echo technique using 2-pulse and 3-pulse induced signals. Electron spin-lattice relaxation is governed by a single non-phonon relaxation process produced by localized oscillators of energy 76cm(-1). Electron spin dephasing is dominated by a molecular motion producing a resonance-type peak in the temperature dependence of the dephasing rate around 120K. The origin of the peak is discussed and a simple method for the peak shape analysis is proposed, which gives the activation energy of a thermally activated motion Ea=7.8kJ/mol and correlation time tau0=10(-8)s. The spin echo amplitude is strongly modulated and FT spectrum contains a doublet of lines centered around the (2)D nuclei Zeeman frequency. The splitting into the doublet is discussed as due to a weak hyperfine coupling of nitroxide unpaired electron with deuterium of reorienting CD3 groups.
Liquid state DNP at high magnetic fields: Instrumentation, experimental results and atomistic modelling by molecular dynamics simulations
From The DNP-NMR Blog:
Liquid state DNP at high magnetic fields: Instrumentation, experimental results and atomistic modelling by molecular dynamics simulations
Prisner, T., V. Denysenkov, and D. Sezer, Liquid state DNP at high magnetic fields: Instrumentation, experimental results and atomistic modelling by molecular dynamics simulations. J Magn Reson, 2016. 264: p. 68-77.
http://www.ncbi.nlm.nih.gov/pubmed/26920832
nmrlearner
News from NMR blogs
0
05-05-2016 03:15 AM
[NMR paper] Lipid dynamics studied by calculation of 31P solid-state NMR spectra using ensembles from molecular dynamics simulations.
Lipid dynamics studied by calculation of 31P solid-state NMR spectra using ensembles from molecular dynamics simulations.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-pubmed-acspubs.jpg Related Articles Lipid dynamics studied by calculation of 31P solid-state NMR spectra using ensembles from molecular dynamics simulations.
J Phys Chem B. 2014 May 15;118(19):5119-29
Authors: Hansen SK, Vestergaard M, Thøgersen L, Schiøtt B, Nielsen NC, Vosegaard T
Abstract
We present a method to...
nmrlearner
Journal club
0
04-22-2015 03:33 PM
The role of the glassy dynamics and thermal mixing in the dynamic nuclear polarization and relaxation mechanisms of pyruvic acid
From The DNP-NMR Blog:
The role of the glassy dynamics and thermal mixing in the dynamic nuclear polarization and relaxation mechanisms of pyruvic acid
Filibian, M., et al., The role of the glassy dynamics and thermal mixing in the dynamic nuclear polarization and relaxation mechanisms of pyruvic acid. Phys Chem Chem Phys, 2014. 16(48): p. 27025-36.
http://www.ncbi.nlm.nih.gov/pubmed/25382595
nmrlearner
News from NMR blogs
0
03-27-2015 11:59 PM
Synthesis and evaluation of nitroxide-based oligoradicals for low-temperature dynamic nuclear polarization in solid state NMR
From The DNP-NMR Blog:
Synthesis and evaluation of nitroxide-based oligoradicals for low-temperature dynamic nuclear polarization in solid state NMR
Yau, W.-M., K.R. Thurber, and R. Tycko, Synthesis and evaluation of nitroxide-based oligoradicals for low-temperature dynamic nuclear polarization in solid state NMR. J. Magn. Reson., 2014(0).
http://www.sciencedirect.com/science/article/pii/S1090780714001372
nmrlearner
News from NMR blogs
0
05-28-2014 04:28 PM
[NMR paper] Real-time NMR monitoring of protein-folding kinetics by a recycle flow system for temperature jump.
Real-time NMR monitoring of protein-folding kinetics by a recycle flow system for temperature jump.
Real-time NMR monitoring of protein-folding kinetics by a recycle flow system for temperature jump.
Anal Chem. 2013 Sep 12;
Authors: Yamasaki K, Obara Y, Hasegawa M, Tanaka H, Yamasaki T, Wakuda T, Okada M, Kohzuma T
Abstract
An NMR method was developed that allows for real-time monitoring of reactions (on the order of seconds) induced by temperature jump. In a recycle flow system, heating and cooling baths were integrated, with the latter...
nmrlearner
Journal club
0
09-14-2013 03:02 PM
[NMR paper] Glassy dynamics of protein methyl groups revealed by deuteron NMR.
Glassy dynamics of protein methyl groups revealed by deuteron NMR.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-pubmed-acspubs.jpg Related Articles Glassy dynamics of protein methyl groups revealed by deuteron NMR.
J Phys Chem B. 2013 Jan 31;117(4):1051-61
Authors: Vugmeyster L, Ostrovsky D, Penland K, Hoatson GL, Vold RL
Abstract
We investigated site-specific dynamics of key methyl groups in the hydrophobic core of chicken villin headpiece subdomain (HP36) over the temperature range between 298 and 140 K...
nmrlearner
Journal club
0
02-03-2013 10:22 AM
[NMR paper] Dynamics in the unfolded state of beta2-microglobulin studied by NMR.
Dynamics in the unfolded state of beta2-microglobulin studied by NMR.
Related Articles Dynamics in the unfolded state of beta2-microglobulin studied by NMR.
J Mol Biol. 2005 Feb 11;346(1):279-94
Authors: Platt GW, McParland VJ, Kalverda AP, Homans SW, Radford SE
Many proteins form amyloid-like fibrils in vitro under conditions that favour the population of partially folded conformations or denatured state ensembles. Characterising the structural and dynamic properties of these states is crucial towards understanding the mechanisms of...
nmrlearner
Journal club
0
11-24-2010 10:03 PM
[NMR paper] Superslow backbone protein dynamics as studied by 1D solid-state MAS exchange NMR spe
Superslow backbone protein dynamics as studied by 1D solid-state MAS exchange NMR spectroscopy.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Superslow backbone protein dynamics as studied by 1D solid-state MAS exchange NMR spectroscopy.
J Magn Reson. 1999 Jun;138(2):244-55
Authors: Krushelnitsky A, Reichert D, Hempel G, Fedotov V, Schneider H, Yagodina L, Schulga A
Superslow backbone dynamics of the protein barstar and the polypeptide polyglycine was studied by...
Dynamics of 4-oxo-TEMPO-d16-(15)N nitroxide-propylene glycol system studied by ESR and ESE in liquid and glassy state in temperature range 10-295K
Linear Mode
