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 10-19-2020, 05:07 PM
nmrlearner's Avatar
Senior Member
 
Join Date: Jan 2005
Posts: 22,523
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 Geminal parahydrogen-induced polarization: accumulating long-lived singlet order on methylene proton pairs #DNPNMR #SABRE

From The DNP-NMR Blog:

Geminal parahydrogen-induced polarization: accumulating long-lived singlet order on methylene proton pairs #DNPNMR #SABRE

Dagys, Laurynas, Barbara Ripka, Markus Leutzsch, Gamal A. I. Moustafa, James Eills, Johannes F. P. Colell, and Malcolm H. Levitt. “Geminal Parahydrogen-Induced Polarization: Accumulating Long-Lived Singlet Order on Methylene Proton Pairs.” Magnetic Resonance 1, no. 2 (August 7, 2020): 175–86.


https://doi.org/10.5194/mr-1-175-2020.


In the majority of hydrogenative parahydrogen-induced polarization (PHIP) experiments, the hydrogen molecule undergoes pairwise cis addition to an unsaturated precursor to occupy vicinal positions on the product molecule. However, some ruthenium-based hydrogenation catalysts induce geminal hydrogenation, leading to a reaction product in which the two hydrogen atoms are transferred to the same carbon centre, forming a methylene (CH2) group. The singlet order of parahydrogen is substantially retained over the geminal hydrogenation reaction, giving rise to a singlet-hyperpolarized CH2 group. Although the T1 relaxation times of the methylene protons are often short, the singlet order has a long lifetime, provided that singlet–triplet mixing is suppressed, either by chemical equivalence of the protons or by applying a resonant radiofrequency field. The long lifetime of the singlet order enables the accumulation of hyperpolarization during the slow hydrogenation reaction. We introduce a kinetic model for the behaviour of the observed hyperpolarized signals, including both the chemical kinetics and the spin dynamics of the reacting molecules. Our work demonstrates the feasibility of producing singlet-hyperpolarized methylene moieties by parahydrogen-induced polarization. This potentially extends the range of molecular agents which may be generated in a hyperpolarized state by chemical reactions of parahydrogen.


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
Proton relaxometry of long-lived spin order
From The DNP-NMR Blog: Proton relaxometry of long-lived spin order Kiryutin, Alexey S., Mikhail S. Panov, Alexandra V. Yurkovskaya, Konstantin L. Ivanov, and Geoffrey Bodenhausen. “Proton Relaxometry of Long-Lived Spin Order.” ChemPhysChem, January 2, 2019. https://doi.org/10.1002/cphc.201800960.
nmrlearner News from NMR blogs 0 03-24-2019 10:41 PM
Singlet order conversion and parahydrogen-induced hyperpolarization of 13C nuclei in near-equivalent spin systems
From The DNP-NMR Blog: Singlet order conversion and parahydrogen-induced hyperpolarization of 13C nuclei in near-equivalent spin systems p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica} Eills, J., et al., Singlet order conversion and parahydrogen-induced hyperpolarization of 13C nuclei in near-equivalent spin systems. J Magn Reson, 2017. 274: p. 163-172. https://www.ncbi.nlm.nih.gov/pubmed/27916509
nmrlearner News from NMR blogs 0 03-03-2017 10:56 PM
Long-lived states to sustain SABRE hyperpolarised magnetisation
From The DNP-NMR Blog: Long-lived states to sustain SABRE hyperpolarised magnetisation p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica} Roy, S.S., et al., Long-lived states to sustain SABRE hyperpolarised magnetisation. Phys Chem Chem Phys, 2016. 18(36): p. 24905-24911. https://www.ncbi.nlm.nih.gov/pubmed/27711398
nmrlearner News from NMR blogs 0 11-19-2016 08:35 PM
Creating a hyperpolarised pseudo singlet state through polarisation transfer from parahydrogen under SABRE
From The DNP-NMR Blog: Creating a hyperpolarised pseudo singlet state through polarisation transfer from parahydrogen under SABRE Olaru, A.M., et al., Creating a hyperpolarised pseudo singlet state through polarisation transfer from parahydrogen under SABRE. Chem Commun (Camb), 2016. 52(50): p. 7842-5. http://www.ncbi.nlm.nih.gov/pubmed/27242264
nmrlearner News from NMR blogs 0 07-27-2016 09:20 PM
Determination of long-range scalar (1)H-(1)H coupling constants responsible for polarization transfer in SABRE #DNPNMR
From The DNP-NMR Blog: Determination of long-range scalar (1)H-(1)H coupling constants responsible for polarization transfer in SABRE #DNPNMR Eshuis, N., et al., Determination of long-range scalar (1)H-(1)H coupling constants responsible for polarization transfer in SABRE. J Magn Reson, 2016. 265: p. 59-66. http://www.ncbi.nlm.nih.gov/pubmed/26859865
nmrlearner News from NMR blogs 0 06-22-2016 09:14 PM
Magnetic resonance imaging of (1)H long lived states derived from parahydrogen induced polarization in a clinical system #DNPNMR
From The DNP-NMR Blog: Magnetic resonance imaging of (1)H long lived states derived from parahydrogen induced polarization in a clinical system #DNPNMR Graafen, D., et al., Magnetic resonance imaging of (1)H long lived states derived from parahydrogen induced polarization in a clinical system. J Magn Reson, 2016. 262: p. 68-72. http://www.ncbi.nlm.nih.gov/pubmed/26754064
nmrlearner News from NMR blogs 0 05-27-2016 06:18 PM
Storage of nuclear magnetization as long-lived singlet order in low magnetic field
From The DNP-NMR Blog: Storage of nuclear magnetization as long-lived singlet order in low magnetic field This week I will catch up with some articles that were published in the Proceedings of the National Academy of Sciences that slipped through the crack.
nmrlearner News from NMR blogs 0 07-21-2014 05:32 PM
Long-lived nuclear spin states in methyl groups and quantum-rotor-induced polarization
From The DNP-NMR Blog: Long-lived nuclear spin states in methyl groups and quantum-rotor-induced polarization Meier, B., et al., Long-lived nuclear spin states in methyl groups and quantum-rotor-induced polarization. J Am Chem Soc, 2013. 135(50): p. 18746-9. http://www.ncbi.nlm.nih.gov/pubmed/24252212
nmrlearner News from NMR blogs 0 02-13-2014 01:42 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 - 2023, 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 04:31 AM.


Map