The transfer of nuclear spin hyperpolarization
from water to ligand 19F spins results in a transient signal
change that is indicative
of protein–ligand interaction. The 19F nucleus allows
for background-free detection of these signals, which are modulated
by polarization transfer via pathways similar to those in a hyperpolarized 1H water LOGSY experiment. Quantification of the apparent heteronuclear
cross-relaxation rates is facilitated by a simultaneous dual-channel
detection of 1H and 19F signals. Calculated
cross-relaxation rates for the 1H–19F
transfer step indicate that these rates are sensitive to binding to
medium- and large-sized proteins. The heteronuclear observation of
hyperpolarization transfer from water may be used to screen protein–ligand
interactions in drug discovery and other applications.
In the crystal structure of the title complex, [Pt(C4N2S2)(C10H8N2)], the complex molecules pack as head-to-tail/inversion dimers, which are stabilized by HOMO–LUMO interactions and a Pt...Pt distance of 3.6625 (8) Å. The dimers are linked by C—H...N hydrogen bonds, forming layers parallel to the (101) plane.
In the structure of the title solvated complex, [Pt(C8H4N2S2)2(C5H6N2)2]·C2H6OS or trans-[Pt(4-ap)2(qdt)2]·dmso (4-ap = 4-aminopyridyl, C5H6N2; qdt = quinoxaline-2,3-dithiolate, C8H4N2S2; dmso = dimethyl sulfoxide, C2H6OS) the centrosymmetric complex exhibits Pt—S distances in agreement with other PtIV—S bond lengths found in platinum(IV) dithiolene complexes. The qdt ligands have intermolecular interactions with an amine hydrogen atom on a 4-ap ligand (hydrogen bonding) and have sandwich π–π interactions with a neighboring qdt ligand.
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