Hyperpolarization by means of ParaHydrogen Induced Polarization (PHIP) has found increasing applications since its discovery. However, in the last decade only a few experiments have been reported describing the hydrogenation of symmetric molecules. A general AA'BB' system is studied here. Calculations of the spin dynamics with the density matrix formalism support the experimental findings, providing profound understanding of the experiments in Cs-symmetric molecules. Level anti-crossings between states related to the triplet and the singlet state of one pair of the protons are identified as being responsible for hyperpolarization transfer in a PHIP experiment, when the former p-H(2) protons occupy the sites AA'. The hydrogenation of acetylene dicarboxylic acid dimethylester with parahydrogen is used to illustrate the case. The theoretical treatment applied to this particular reaction explains the signal enhancements in both groups of protons in the spectrum when the sample is placed in the proper magnetic field strength, including the phase inversion of the signal of the methyl group. The treatment described here can be extended to every molecule which can be approximated as an AA'BB' system.
Kinetic Study of Propylene Hydrogenation over Pt/Al2O3 by Parahydrogen-Induced Polarization
From The DNP-NMR Blog:
Kinetic Study of Propylene Hydrogenation over Pt/Al2O3 by Parahydrogen-Induced Polarization
Salnikov, O.G., et al., Kinetic Study of Propylene Hydrogenation over Pt/Al2O3 by Parahydrogen-Induced Polarization. Appl. Magn. Reson., 2012. 44(1-2): p. 279-288.
http://dx.doi.org/10.1007/s00723-012-0400-3
Light-Induced Spin Polarization in Porphyrin-Based Donor–Acceptor Dyads and Triads
From The DNP-NMR Blog:
Light-Induced Spin Polarization in Porphyrin-Based Donor–Acceptor Dyads and Triads
van der Est, A. and P. Poddutoori, Light-Induced Spin Polarization in Porphyrin-Based Donor–Acceptor Dyads and Triads. Appl. Magn. Reson., 2013. 44(1-2): p. 301-318.
http://dx.doi.org/10.1007/s00723-012-0420-z
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08-01-2013 12:26 AM
High Resolution Para-Hydrogen Induced Polarization in Inhomogeneous Magnetic Fields
From the The DNP-NMR Blog:
High Resolution Para-Hydrogen Induced Polarization in Inhomogeneous Magnetic Fields
Buljubasich, L., et al., High Resolution Para-Hydrogen Induced Polarization in Inhomogeneous Magnetic Fields. J. Magn. Reson., 2013(0).
http://dx.doi.org/10.1016/j.jmr.2013.02.008
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04-15-2013 08:52 AM
Structure and lipid interactions of an anti-inflammatory and anti-atherogenic 10-residue class G(*) apolipoprotein J peptide using solution NMR.
Structure and lipid interactions of an anti-inflammatory and anti-atherogenic 10-residue class G(*) apolipoprotein J peptide using solution NMR.
Structure and lipid interactions of an anti-inflammatory and anti-atherogenic 10-residue class G(*) apolipoprotein J peptide using solution NMR.
Biochim Biophys Acta. 2011 Jan;1808(1):498-507
Authors: Mishra VK, Palgunachari MN, Hudson JS, Shin R, Keenum TD, Krishna NR, Anantharamaiah GM
The surprising observation that a 10-residue class G(?) peptide from apolipoprotein J, apoJ, possesses...
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03-08-2011 01:40 PM
Dynamic nuclear polarization experiments at 14.1 T for solid-state NMR.
Dynamic nuclear polarization experiments at 14.1 T for solid-state NMR.
Related Articles Dynamic nuclear polarization experiments at 14.1 T for solid-state NMR.
Phys Chem Chem Phys. 2010 Jun 14;12(22):5799-803
Authors: Matsuki Y, Takahashi H, Ueda K, Idehara T, Ogawa I, Toda M, Akutsu H, Fujiwara T
Instrumentation for high-field dynamic nuclear polarization (DNP) at 14.1 T was developed to enhance the nuclear polarization for NMR of solids. The gyrotron generated 394.5 GHz submillimeter (sub-mm) wave with a power of 40 W in the second harmonic...
Level anti-crossings in ParaHydrogen Induced Polarization experiments with Cs-symmetric molecules
Linear Mode
