Publication date: Available online 1 December 2016 Source:Progress in Nuclear Magnetic Resonance Spectroscopy
Author(s): Giuseppe Pileio
This paper discusses methodology developed over the past 12 years in order to access and manipulate singlet order in systems comprising two coupled spin-1/2 nuclei in liquid-state nuclear magnetic resonance. Pulse sequences that are valid for different regimes are discussed, and fully analytical proofs are given using different spin dynamics techniques that include product operator methods, the single transition operator formalism, and average Hamiltonian theory. Methods used to filter singlet order from byproducts of pulse sequences are also listed and discussed analytically. The theoretical maximum amplitudes of the transformations achieved by these techniques are reported, together with the results of numerical simulations performed using custom-built simulation code. Graphical abstract
Singlet lifetime measurements in an all-proton chemically equivalent spin system by hyperpolarization and weak spin lock transfers
From The DNP-NMR Blog:
Singlet lifetime measurements in an all-proton chemically equivalent spin system by hyperpolarization and weak spin lock transfers
Zhang, Y., et al., Singlet lifetime measurements in an all-proton chemically equivalent spin system by hyperpolarization and weak spin lock transfers. Phys. Chem. Chem. Phys., 2015. 17(37): p. 24370-24375.
http://dx.doi.org/10.1039/C5CP03716F
[NMR paper] Quantum mechanical NMR simulation algorithm for protein-size spin systems.
Quantum mechanical NMR simulation algorithm for protein-size spin systems.
Quantum mechanical NMR simulation algorithm for protein-size spin systems.
J Magn Reson. 2014 Apr 18;243C:107-113
Authors: Edwards LJ, Savostyanov DV, Welderufael ZT, Lee D, Kuprov I
Abstract
Nuclear magnetic resonance spectroscopy is one of the few remaining areas of physical chemistry for which polynomially scaling quantum mechanical simulation methods have not so far been available. In this communication we adapt the restricted state space...
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05-06-2014 02:24 PM
[NMR paper] Quantum mechanical NMR simulation algorithm for protein-size spin systems
Quantum mechanical NMR simulation algorithm for protein-size spin systems
Publication date: Available online 18 April 2014
Source:Journal of Magnetic Resonance</br>
Author(s): Luke J. Edwards , D.V. Savostyanov , Z.T. Welderufael , Donghan Lee , Ilya Kuprov</br>
Nuclear magnetic resonance spectroscopy is one of the few remaining areas of physical chemistry for which polynomially scaling quantum mechanical simulation methods have not so far been available. In this communication we adapt the restricted state space approximation to protein NMR spectroscopy and...
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04-18-2014 01:35 PM
Relaxation theory of nuclear singlet states in two spin-1/2 systems
Relaxation theory of nuclear singlet states in two spin-1/2 systems
Publication year: 2010
Source: Progress in Nuclear Magnetic Resonance Spectroscopy, Volume 56, Issue 3, April 2010, Pages 217-231</br>
Giuseppe*Pileio</br>
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09-13-2011 09:15 PM
Continuous-wave EPR at 275 GHz: Application to high-spin Fe3+ systems
Continuous-wave EPR at 275 GHz: Application to high-spin Fe3+ systems
Publication year: 2011
Source: Journal of Magnetic Resonance, In Press, Accepted Manuscript, Available online 11 March 2011</br>
G., Mathies , H., Blok , J.A.J.M., Disselhorst , P., Gast , H., van der Meer , ...</br>
The 275 GHz electron-paramagnetic-resonance spectrometer we reported on in 2004 has been equipped with a new probe head, which contains a cavity especially designed for operation in continuous-wave mode. The sensitivity and signal stability that is achieved with this new probe head is illustrated...
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03-12-2011 05:21 PM
Sequential Assignment of Spin systems
hi,
I am new to the protein NMR Field.I want to assign spin numbers to 120 amonoacid residues of a protein.I am cluless how to assing these number to each.Could anyone help me? Here is the primary sequence f a protein domain-
ISLLAQRQQF WIQLEFHSRI TRGERHGVID HVGLGVQSQQ RSNGFLTSLC ILRPHYASLS LALEKAQLHS LLCEETDGEG TLEYGFMGQV KSRFTDLSRP NLFCRHLGQL LPLLRVCRDV
I am expecing your help.Thank you.