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 03-31-2020, 04:27 AM
nmrlearner's Avatar
Senior Member
 
Join Date: Jan 2005
Posts: 23,744
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 Conformational control of nonplanar free base porphyrins: towards bifunctional catalysts of tunable basicity #DNPNMR

From The DNP-NMR Blog:

Conformational control of nonplanar free base porphyrins: towards bifunctional catalysts of tunable basicity #DNPNMR

Roucan, M., M. Kielmann, S. J. Connon, S. S. R. Bernhard, and M. O. Senge. “Conformational Control of Nonplanar Free Base Porphyrins: Towards Bifunctional Catalysts of Tunable Basicity.” Chemical Communications 54, no. 1 (2018): 26–29.


https://doi.org/10.1039/C7CC08099A.


For the first time, free base and N-methylated porphyrins have been utilized as bifunctional organocatalysts in Michael additions and it was found that distortion of the macrocycle is a vital prerequisite for their catalytic activity. Conformational design has been used to tailor the properties of nonplanar porphyrins with regards to availability of the N–H units for hydrogen bonding (distortion-dependent hydrogen bonding) and the basicity of the heterocyclic groups. NMR spectroscopic- and catalyst screening studies provided insight into the likely mode of catalyst action. This unprecedented use of free base and N-substituted porphyrins as organocatalysts opens a new functional role for porphyrins.


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 power Continuously Frequency-tunable Terahertz Radiation Sources and Transmission Lines for DNP-enhanced NMR System #DNPNMR
From The DNP-NMR Blog: High power Continuously Frequency-tunable Terahertz Radiation Sources and Transmission Lines for DNP-enhanced NMR System #DNPNMR Liu, Diwei, Tao Song, Hao Shen, Jie Huang, Ning Zhang, Chenghai Wang, Wei Wang, and Shenggang Liu. “High Power Continuously Frequency-Tunable Terahertz Radiation Sources and Transmission Lines for DNP-Enhanced NMR System.” In 2018 43rd International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz), 1–2. Nagoya: IEEE, 2018. https://doi.org/10.1109/IRMMW-THz.2018.8510299.
nmrlearner News from NMR blogs 0 02-29-2020 09:52 PM
Natural Abundance 17 O DNP NMR Provides Precise O-H Distances and Insights into the Bronsted Acidity of Heterogeneous Catalysts #DNPNMR
From The DNP-NMR Blog: Natural Abundance 17 O DNP NMR Provides Precise O-H Distances and Insights into the Bronsted Acidity of Heterogeneous Catalysts #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., Natural Abundance 17 O DNP NMR Provides Precise O-H Distances and Insights into the Bronsted Acidity of Heterogeneous Catalysts. Angew Chem Int Ed Engl, 2017. 56(31): p. 9165-9169. https://www.ncbi.nlm.nih.gov/pubmed/28499071 Heterogeneous Bronsted acid catalysts are tremendously important in industry,...
nmrlearner News from NMR blogs 0 11-10-2017 05:01 PM
Dynamic Nuclear Polarization/Solid-State NMR Spectroscopy of Membrane Polypeptides: Free-Radical Optimization for Matrix-Free Lipid Bilayer Samples #DNPNMR
From The DNP-NMR Blog: Dynamic Nuclear Polarization/Solid-State NMR Spectroscopy of Membrane Polypeptides: Free-Radical Optimization for Matrix-Free Lipid Bilayer Samples #DNPNMR p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica} Salnikov, E.S., et al., Dynamic Nuclear Polarization/Solid-State NMR Spectroscopy of Membrane Polypeptides: Free-Radical Optimization for Matrix-Free Lipid Bilayer Samples. ChemPhysChem, 2017. 18(15): p. 2103-2113. https://www.ncbi.nlm.nih.gov/pubmed/28574169
nmrlearner News from NMR blogs 0 09-25-2017 08:42 PM
A DNP-supported solid-state NMR study of carbon species in fluid catalytic cracking catalysts #DNPNMR
From The DNP-NMR Blog: A DNP-supported solid-state NMR study of carbon species in fluid catalytic cracking catalysts #DNPNMR p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica} Mance, D., et al., A DNP-supported solid-state NMR study of carbon species in fluid catalytic cracking catalysts. Chem Commun (Camb), 2017. 53(28): p. 3933-3936. https://www.ncbi.nlm.nih.gov/pubmed/28327736
nmrlearner News from NMR blogs 0 06-23-2017 04:36 PM
Characterizing Substrate-Surface Interactions on Alumina-Supported Metal Catalysts by Dynamic Nuclear Polarization-Enhanced Double-Resonance NMR Spectroscopy #DNPNMR
From The DNP-NMR Blog: Characterizing Substrate-Surface Interactions on Alumina-Supported Metal Catalysts by Dynamic Nuclear Polarization-Enhanced Double-Resonance 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., Characterizing Substrate-Surface Interactions on Alumina-Supported Metal Catalysts by Dynamic Nuclear Polarization-Enhanced Double-Resonance NMR Spectroscopy. J Am Chem Soc, 2017. 139(7): p. 2702-2709. https://www.ncbi.nlm.nih.gov/pubmed/28112506
nmrlearner News from NMR blogs 0 06-13-2017 06:55 AM
Atomistic Description of Reaction Intermediates for Supported Metathesis Catalysts Enabled by DNP SENS #DNPNMR
From The DNP-NMR Blog: Atomistic Description of Reaction Intermediates for Supported Metathesis Catalysts Enabled by DNP SENS #DNPNMR p.p1 {margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica} p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica} p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica} Ong, T.C., et al., Atomistic Description of Reaction Intermediates for Supported Metathesis Catalysts Enabled by DNP SENS. Angew Chem Int Ed Engl, 2016. 55(15): p. 4743-7.
nmrlearner News from NMR blogs 0 12-23-2016 03:30 PM
Identifying low-coverage surface species on supported noble metal nanoparticle catalysts by DNP-NMR #DNPNMR
From The DNP-NMR Blog: Identifying low-coverage surface species on supported noble metal nanoparticle catalysts by DNP-NMR #DNPNMR Johnson, R.L., et al., Identifying low-coverage surface species on supported noble metal nanoparticle catalysts by DNP-NMR. Chem Commun (Camb), 2016. 52(9): p. 1859-62. http://www.ncbi.nlm.nih.gov/pubmed/26675287
nmrlearner News from NMR blogs 0 06-03-2016 04:52 PM
[NMR paper] Conformational heterogeneity of transmembrane residues after the Schiff base reproton
Conformational heterogeneity of transmembrane residues after the Schiff base reprotonation of bacteriorhodopsin: 15N CPMAS NMR of D85N/T170C membranes. Related Articles Conformational heterogeneity of transmembrane residues after the Schiff base reprotonation of bacteriorhodopsin: 15N CPMAS NMR of D85N/T170C membranes. FEBS J. 2005 May;272(9):2152-64 Authors: Mason AJ, Turner GJ, Glaubitz C bR, N-like and O-like intermediate states of methionine-labelled wild type and D85N/T170C bacteriorhodopsin were accumulated in native membranes by...
nmrlearner Journal club 0 11-25-2010 08:21 PM


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 02:12 AM.


Map