BioNMR
NMR aggregator & online community since 2003
BioNMR    
Learn or help to learn NMR - get free NMR books!
 

Go Back   BioNMR > NMR community > News from NMR blogs
Advanced Search



Jobs Groups Conferences Literature Pulse sequences Software forums Programs Sample preps Web resources BioNMR issues


Webservers
NMR processing:
MDD
NMR assignment:
Backbone:
Autoassign
MARS
UNIO Match
PINE
Side-chains:
UNIO ATNOS-Ascan
NOEs:
UNIO ATNOS-Candid
UNIO Candid
ASDP
Structure from NMR restraints:
Ab initio:
GeNMR
Cyana
XPLOR-NIH
ASDP
UNIO ATNOS-Candid
UNIO Candid
Fragment-based:
BMRB CS-Rosetta
Rosetta-NMR (Robetta)
Template-based:
GeNMR
I-TASSER
Refinement:
Amber
Structure from chemical shifts:
Fragment-based:
WeNMR CS-Rosetta
BMRB CS-Rosetta
Homology-based:
CS23D
Simshift
Torsion angles from chemical shifts:
Preditor
TALOS
Promega- Proline
Secondary structure from chemical shifts:
CSI (via RCI server)
TALOS
MICS caps, β-turns
d2D
PECAN
Flexibility from chemical shifts:
RCI
Interactions from chemical shifts:
HADDOCK
Chemical shifts re-referencing:
Shiftcor
UNIO Shiftinspector
LACS
CheckShift
RefDB
NMR model quality:
NOEs, other restraints:
PROSESS
PSVS
RPF scores
iCing
Chemical shifts:
PROSESS
CheShift2
Vasco
iCing
RDCs:
DC
Anisofit
Pseudocontact shifts:
Anisofit
Protein geomtery:
Resolution-by-Proxy
PROSESS
What-If
iCing
PSVS
MolProbity
SAVES2 or SAVES4
Vadar
Prosa
ProQ
MetaMQAPII
PSQS
Eval123D
STAN
Ramachandran Plot
Rampage
ERRAT
Verify_3D
Harmony
Quality Control Check
NMR spectrum prediction:
FANDAS
MestReS
V-NMR
Flexibility from structure:
Backbone S2
Methyl S2
B-factor
Molecular dynamics:
Gromacs
Amber
Antechamber
Chemical shifts prediction:
From structure:
Shiftx2
Sparta+
Camshift
CH3shift- Methyl
ArShift- Aromatic
ShiftS
Proshift
PPM
CheShift-2- Cα
From sequence:
Shifty
Camcoil
Poulsen_rc_CS
Disordered proteins:
MAXOCC
Format conversion & validation:
CCPN
From NMR-STAR 3.1
Validate NMR-STAR 3.1
NMR sample preparation:
Protein disorder:
DisMeta
Protein solubility:
camLILA
ccSOL
Camfold
camGroEL
Zyggregator
Isotope labeling:
UPLABEL
Solid-state NMR:
sedNMR


Reply
Thread Tools Search this Thread Rate Thread Display Modes
  #1  
Unread 06-16-2017, 07:18 PM
nmrlearner's Avatar
Senior Member
 
Join Date: Jan 2005
Posts: 23,135
Points: 193,617, Level: 100
Points: 193,617, Level: 100 Points: 193,617, Level: 100 Points: 193,617, Level: 100
Level up: 0%, 0 Points needed
Level up: 0% Level up: 0% Level up: 0%
Activity: 50.7%
Activity: 50.7% Activity: 50.7% Activity: 50.7%
Last Achievements
Award-Showcase
NMR Credits: 0
NMR Points: 193,617
Downloads: 0
Uploads: 0
Default Probing Surface Hydrogen Bonding and Dynamics by Natural Abundance, Multidimensional,17O DNP-NMR Spectroscopy #DNPNMR

From The DNP-NMR Blog:

Probing Surface Hydrogen Bonding and Dynamics by Natural Abundance, Multidimensional,17O DNP-NMR Spectroscopy #DNPNMR

p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica}
Perras, F.A., et al., Probing Surface Hydrogen Bonding and Dynamics by Natural Abundance, Multidimensional,17O DNP-NMR Spectroscopy. The Journal of Physical Chemistry C, 2016. 120(21): p. 11535-11544.


http://dx.doi.org/10.1021/acs.jpcc.6b02579


Dynamic nuclear polarization (DNP)-enhanced solid-state nuclear magnetic resonance (SSNMR) spectroscopy is increasingly being used as a tool for the atomic-level characterization of surface sites. DNP surface-enhanced SSNMR spectroscopy of materials has, however, been limited to studying relatively receptive nuclei, and the particularly rare 17O nuclide, which is of great interest for materials science, has not been utilized. We demonstrate that advanced 17O SSNMR experiments can be performed on surface species at natural isotopic abundance using DNP. We use 17O DNP surface-enhanced 2D SSNMR to measure 17O{1H} HETCOR spectra as well as dipolar oscillations on a series of thermally treated mesoporous silica nanoparticle samples having different pore diameters. These experiments allow for a nonintrusive and unambiguous characterization of hydrogen bonding and dynamics at the surface of the material; no other single experiment can give such details about the interactions at the surface. Our data show that, upon drying, strongly hydrogen-bonded surface silanols, whose motions are greatly restricted by the interaction when compared to lone silanols, are selectively dehydroxylated.
p.p1 {margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica} p.p1 {margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica}

Go to The DNP-NMR Blog for more info.
Reply With Quote


Did you find this post helpful? Yes | No

Reply
Similar Threads
Thread Thread Starter Forum Replies Last Post
High-resolution NMR of hydrogen in organic solids by DNP enhanced natural abundance deuterium spectroscopy
From The DNP-NMR Blog: High-resolution NMR of hydrogen in organic solids by DNP enhanced natural abundance deuterium spectroscopy Rossini, A.J., et al., High-resolution NMR of hydrogen in organic solids by DNP enhanced natural abundance deuterium spectroscopy. J Magn Reson, 2015. 259: p. 192-8. http://www.ncbi.nlm.nih.gov/pubmed/26363582
nmrlearner News from NMR blogs 0 02-09-2016 04:21 AM
High-resolution NMR of hydrogen in organic solids by DNP enhanced natural abundance deuterium spectroscopy
From The DNP-NMR Blog: High-resolution NMR of hydrogen in organic solids by DNP enhanced natural abundance deuterium spectroscopy Rossini, A.J., et al., High-resolution NMR of hydrogen in organic solids by DNP enhanced natural abundance deuterium spectroscopy. J. Magn. Reson., 2015. 259: p. 192-198. http://dx.doi.org/10.1016/j.jmr.2015.08.020
nmrlearner News from NMR blogs 0 10-23-2015 02:14 PM
Natural Abundance (17)O DNP Two-Dimensional and Surface-Enhanced NMR Spectroscopy
From The DNP-NMR Blog: Natural Abundance (17)O DNP Two-Dimensional and Surface-Enhanced NMR Spectroscopy Perras, F.A., T. Kobayashi, and M. Pruski, Natural Abundance (17)O DNP Two-Dimensional and Surface-Enhanced NMR Spectroscopy. J Am Chem Soc, 2015. 137(26): p. 8336-9. http://www.ncbi.nlm.nih.gov/pubmed/26098846
nmrlearner News from NMR blogs 0 09-28-2015 06:31 PM
Natural Abundance 17O DNP Two-Dimensional and Surface-Enhanced NMR Spectroscopy
Natural Abundance 17O DNP Two-Dimensional and Surface-Enhanced NMR Spectroscopy Fre?de?ric A. Perras, Takeshi Kobayashi and Marek Pruski http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/jacs.5b03905/20150629/images/medium/ja-2015-03905b_0003.gif Journal of the American Chemical Society DOI: 10.1021/jacs.5b03905 http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/2XY9E0YdGEg
nmrlearner Journal club 0 06-29-2015 07:21 PM
[NMR paper] Fast-pulsing NMR techniques for the detection of weak interactions: successful natural abundance probe of hydrogen bonds in peptides.
Fast-pulsing NMR techniques for the detection of weak interactions: successful natural abundance probe of hydrogen bonds in peptides. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.rsc.org-images-entities-char_z_RSClogo.gif Related Articles Fast-pulsing NMR techniques for the detection of weak interactions: successful natural abundance probe of hydrogen bonds in peptides. Org Biomol Chem. 2013 Nov 21;11(43):7611-5 Authors: Altmayer-Henzien A, Declerck V, Aitken DJ, Lescop E, Merlet D, Farjon J Abstract ...
nmrlearner Journal club 0 07-27-2014 01:05 AM
Dynamic Nuclear Polarization Enhanced Natural Abundance 17O Spectroscopy
From the The DNP-NMR Blog: Dynamic Nuclear Polarization Enhanced Natural Abundance 17O Spectroscopy Blanc, F., et al., Dynamic Nuclear Polarization Enhanced Natural Abundance 17O Spectroscopy. J. Am. Chem. Soc., 2013. 135(8): p. 2975-2978. http://dx.doi.org/10.1021/ja4004377
nmrlearner News from NMR blogs 0 04-15-2013 08:52 AM
[NMR paper] Direct Evidence for Hydrogen Bonding Between Hydroxyl Groups in Glycans: A Combined NMR and Molecular Dynamics Study.
Direct Evidence for Hydrogen Bonding Between Hydroxyl Groups in Glycans: A Combined NMR and Molecular Dynamics Study. Related Articles Direct Evidence for Hydrogen Bonding Between Hydroxyl Groups in Glycans: A Combined NMR and Molecular Dynamics Study. J Phys Chem B. 2013 Mar 26; Authors: Battistel MD, Pendrill R, Widmalm G, Freedberg DI Abstract With this report we introduce the abundant hydroxyl groups of glycans as NMR handles and structural probes that expand the repertoire of tools for structure-function studies on glycans in...
nmrlearner Journal club 0 03-28-2013 04:03 PM
Identifying Guanosine Self Assembly at Natural Isotopic Abundance by High-Resolution 1H and 13C Solid-State NMR Spectroscopy
Identifying Guanosine Self Assembly at Natural Isotopic Abundance by High-Resolution 1H and 13C Solid-State NMR Spectroscopy Amy L. Webber, Stefano Masiero, Silvia Pieraccini, Jonathan C. Burley, Andrew S. Tatton, Dinu Iuga, Tran N. Pham, Gian Piero Spada and Steven P. Brown http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja206516u/aop/images/medium/ja-2011-06516u_0007.gif Journal of the American Chemical Society DOI: 10.1021/ja206516u http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA...
nmrlearner Journal club 0 11-18-2011 04:35 AM


Thread Tools Search this Thread
Search this Thread:

Advanced Search
Display Modes Rate This Thread
Rate This Thread:

Posting Rules
You may not post new threads
You may not post replies
You may not post attachments
You may not edit your posts

BB code is On
Smilies are On
[IMG] code is On
HTML code is Off
Trackbacks are Off
Pingbacks are Off
Refbacks are Off



BioNMR advertisements to pay for website hosting and domain registration. Nobody does it for us.



Powered by vBulletin® Version 3.7.3
Copyright ©2000 - 2024, Jelsoft Enterprises Ltd.
Copyright, BioNMR.com, 2003-2013
Search Engine Friendly URLs by vBSEO 3.6.0

All times are GMT. The time now is 10:51 PM.


Map