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
Home Forums Wiki NMR feeds Downloads Register Today's Posts



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  
Old 10-23-2014, 05:11 AM
nmrlearner's Avatar
Senior Member
 
Join Date: Jan 2005
Posts: 23,697
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 Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy

From The DNP-NMR Blog:

Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy


Guo, Z., et al., Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy. Chemistry, 2014: p. n/a-n/a.


http://www.ncbi.nlm.nih.gov/pubmed/25297002


The host-guest interaction between metal ions (Pt2+ and Cu2+ ) and a zirconium metal-organic framework (UiO-66-NH2 ) was explored using dynamic nuclear polarization-enhanced 15 N{1 H} CPMAS NMR spectroscopy supported by X-ray absorption spectroscopy and density functional calculations. The combined experimental results conclude that each Pt2+ coordinates with two NH2 groups from the MOF and two Cl- from the metal precursor, whereas Cu2+ do not form chemical bonds with the NH2 groups of the MOF framework. Density functional calculations reveal that Pt2+ prefers a square-planar structure with the four ligands and resides in the octahedral cage of the MOF in either cis or trans configurations.


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
Towards structure determination of self-assembled peptides using dynamic nuclear polarization enhanced solid-state NMR spectroscopy
From The DNP-NMR Blog: Towards structure determination of self-assembled peptides using dynamic nuclear polarization enhanced solid-state NMR spectroscopy Takahashi, H., et al., Towards structure determination of self-assembled peptides using dynamic nuclear polarization enhanced solid-state NMR spectroscopy. Angew Chem Int Ed Engl, 2013. 52(27): p. 6979-82. http://www.ncbi.nlm.nih.gov/pubmed/23564735
nmrlearner News from NMR blogs 0 04-23-2014 06:31 PM
Probing (27)Al-(13)C proximities in metal-organic frameworks using dynamic nuclear polarization enhanced NMR spectroscopy
From The DNP-NMR Blog: Probing (27)Al-(13)C proximities in metal-organic frameworks using dynamic nuclear polarization enhanced NMR spectroscopy Pourpoint, F., et al., Probing (27)Al-(13)C proximities in metal-organic frameworks using dynamic nuclear polarization enhanced NMR spectroscopy. Chem Commun (Camb), 2013. 50(8): p. 933-5. http://www.ncbi.nlm.nih.gov/pubmed/24301188
nmrlearner News from NMR blogs 0 01-30-2014 05:27 AM
Towards Structure Determination of Self-Assembled Peptides Using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy
From The DNP-NMR Blog: Towards Structure Determination of Self-Assembled Peptides Using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy Takahashi, H., et al., Towards Structure Determination of Self-Assembled Peptides Using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy. Angew. Chem. Int. Ed., 2013: p. n/a-n/a. http://www.ncbi.nlm.nih.gov/pubmed/23564735
nmrlearner News from NMR blogs 0 06-13-2013 04:24 AM
NMR studies of alkali metal ions in organic and biological solids
NMR studies of alkali metal ions in organic and biological solids February 2012 Publication year: 2012 Source:Progress in Nuclear Magnetic Resonance Spectroscopy, Volume 61</br> </br> Highlights
nmrlearner Journal club 0 12-01-2012 06:10 PM
Enhanced Solid-State NMR Correlation Spectroscopy of Quadrupolar Nuclei Using Dynamic Nuclear Polarization
Enhanced Solid-State NMR Correlation Spectroscopy of Quadrupolar Nuclei Using Dynamic Nuclear Polarization Daniel Lee, Hiroki Takahashi, Aany S. L. Thankamony, Jean-Philippe Dacquin, Michel Bardet, Olivier Lafon and Gae?l De Pae?pe http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja307755t/aop/images/medium/ja-2012-07755t_0004.gif Journal of the American Chemical Society DOI: 10.1021/ja307755t http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/NcXbDBD9aBc
nmrlearner Journal club 0 11-03-2012 03:56 PM
NMR studies of alkali metal ions in organic and biological solids
NMR studies of alkali metal ions in organic and biological solids Publication year: 2012 Source:Progress in Nuclear Magnetic Resonance Spectroscopy, Volume 61</br> Gang Wu, Jianfeng Zhu</br> </br> </br></br>
nmrlearner Journal club 0 03-09-2012 09:16 AM
NMR studies of alkali metal ions in organic and biological solids
NMR studies of alkali metal ions in organic and biological solids Publication year: 2011 Source: Progress in Nuclear Magnetic Resonance Spectroscopy, In Press, Accepted Manuscript, Available online 13 June 2011</br> Gang, Wu , Jianfeng, Zhu</br> *Highlights:*? Comprehensive review of NMR of alkali metal ions in organic/biological solids ? Experimental solid-state NMR techniques and computational methods ? Survey of experimental alkali metal NMR data for organic/biological solids</br></br> More...
nmrlearner Journal club 0 06-14-2011 02:30 AM
Dynamic nuclear polarization-enhanced solid-state NMR spectroscopy of GNNQQNY nanocry
Dynamic nuclear polarization-enhanced solid-state NMR spectroscopy of GNNQQNY nanocrystals and amyloid fibrils. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.rsc.org-images-entities-char_z_RSClogo.gif Related Articles Dynamic nuclear polarization-enhanced solid-state NMR spectroscopy of GNNQQNY nanocrystals and amyloid fibrils. Phys Chem Chem Phys. 2010 Jun 14;12(22):5911-9 Authors: Debelouchina GT, Bayro MJ, van der Wel PC, Caporini MA, Barnes AB, Rosay M, Maas WE, Griffin RG Dynamic nuclear polarization (DNP) utilizes the...
nmrlearner Journal club 0 08-26-2010 04:41 PM



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 11:23 AM.


Map