Paramagnetic Enhancement of Nuclear Spin–Spin Coupling
نویسندگان
چکیده
منابع مشابه
Paramagnetic relaxation of nuclear singlet states.
Nuclear singlet states often display lifetimes that are much longer than conventional nuclear spin relaxation times. Here we investigate the effect of dissolved paramagnetic species on the singlet relaxation of proton pairs in solution. We find a linear correlation between the singlet relaxation rate constant T and the longitudinal relaxation rate constant T. The slope of the correlation depend...
متن کاملAntimalarial Activity of some Conjugated Arylhydrazones: Ab Initio Calculation of Nuclear Quadrupole Coupling Constants (NQCC)
“Malaria” is a life-threatening blood disease in tropical regions that spreads by the bite of the Anopheles mosquito. Antimalarial medications are designed to cure or prevent this infection, and prosperous achievements in this area mostly depend on the knowing the drug-receptor interactions and active sites of medicine. This improvement can be achieved through understanding the electronic struc...
متن کاملNanostructure of Materials Determined by Relayed Paramagnetic Relaxation Enhancement
Particle and domain sizes strongly influence the properties of materials. Here we present an NMR approach based on paramagnetic relaxation enhancement (PRE) relayed by spin diffusion (SD), which allows us to determine lengths in the nm-μm range. We demonstrate the method on multicomponent organic polymer mixtures by selectively doping one component with a paramagnetic center in order to measure...
متن کاملPractical Aspects of Paramagnetic Relaxation Enhancement in Biological Macromolecules.
In this brief review, we summarize various aspects of NMR paramagnetic relaxation enhancement (PRE). We discuss the types of spin labels used in NMR studies, describe the relevant theory used to accurately calculate PREs from coordinates, including how to take into account the fact that paramagnetic labels tend to be highly mobile and sample a wide range of conformational space, and outline met...
متن کاملGeneral treatment of paramagnetic relaxation enhancement associated with translational diffusion.
A theory of nuclear spin relaxation in isotropic liquids for nuclear spins interacting with electron spins, residing in other molecules (the outer-sphere relaxation), is presented. The approach, valid outside of the Redfield limit for electron spin relaxation, is an extension of the Swedish slow motion theory [Benetis et al., Mol. Phys. 48, 329 (1983); Nilsson and Kowalewski, J. Magn. Reson. 14...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2017
ISSN: 1549-9618,1549-9626
DOI: 10.1021/acs.jctc.6b01080