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Titolo:
MOLECULAR-DYNAMICS OF HYDANTOINS AND BARBITURATES ASSESSED BY H-1,C-13 AND N-15 RELAXATION DATA
Autore:
GRUHLKE P; SEIPELT CG; DOLLE A; ZEIDLER MD; ZADERENKO P; BALLESTEROS P; CERDAN S;
Indirizzi:
RHEIN WESTFAL TH AACHEN,INST PHYS CHEM,TEMPLERGRABEN 59 D-52056 AACHEN GERMANY RHEIN WESTFAL TH AACHEN,INST PHYS CHEM D-52056 AACHEN GERMANY UNIV NACL EDUC DISTANCIA,FAC CIENCIAS,DEPT QUIM ORGAN & BIOL E-28040 MADRID SPAIN CSIC,INST INVEST BIOMED E-28029 MADRID SPAIN
Titolo Testata:
Perkin transactions. 2
fascicolo: 12, , anno: 1995,
pagine: 2191 - 2194
SICI:
0300-9580(1995):12<2191:MOHABA>2.0.ZU;2-I
Fonte:
ISI
Lingua:
ENG
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Science Citation Index Expanded
Citazioni:
11
Recensione:
Indirizzi per estratti:
Citazione:
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

Abstract

The molecular dynamics of hydantoin, 5,5-dimethylhydantoin, 5,5-diphenylhydantoin, barbituric acid and 5-ethyl-5-phenylbarbituric acid in solution are determined to investigate the molecular basis for the activity of these neuroactive drugs. From dipolar C-13 and N-15 spin-lattice relaxation times the correlation times for the rotational dynamics of specific bond vectors are evaluated. Conclusions can be drawn concerning 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 measurementsby the pulsed gradients method. The observed differences in the dynamics as well as structural differences may account for the variation inthe neuroactivity of the studied compounds.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 04/07/20 alle ore 05:26:50