P. Gruhlke et al., MOLECULAR-DYNAMICS OF HYDANTOINS AND BARBITURATES ASSESSED BY H-1,C-13 AND N-15 RELAXATION DATA, Perkin transactions. 2, (12), 1995, pp. 2191-2194
The molecular dynamics of hydantoin, 5,5-dimethylhydantoin, 5,5-diphen
ylhydantoin, barbituric acid and 5-ethyl-5-phenylbarbituric acid in so
lution are determined to investigate the molecular basis for the activ
ity of these neuroactive drugs. From dipolar C-13 and N-15 spin-lattic
e relaxation times the correlation times for the rotational dynamics o
f specific bond vectors are evaluated. Conclusions can be drawn concer
ning the anisotropy of the overall molecular rotational motion and the
internal rotations of molecular segments. The translational molecular
diffusion coefficients are obtained from self-diffusion measurements
by the pulsed gradients method. The observed differences in the dynami
cs as well as structural differences may account for the variation in
the neuroactivity of the studied compounds.