Studies of technetium chemistry. Pt.12: Study of brain retention ability and in vitro stability of 99Tcm-d,l-PAO complexes
Creators
- 1. Beijing Normal Univ., Beijing (China). Dept. of Chemistry
Description
Based on crystal data of 99Tcm-d,l-HMPAO, the structures of 99Tcm-d,l-PAO complexes (99Tcm-d,l-HMPAO, 99Tcm-d,l-CBPAO, 99Tcm-d,l-OCBPAO, 99Tcm-d,l-EOCBPAO, 99Tcm-d,l-IPOCBPAO) are optimized. The total energy of molecule, dipole moment of molecule, net charge of atom and the molecular orbital energy of HOMO and LUMO are calculated. The results indicate that brain retention ability of 99Tcm-d,l-PAO complexes depends on the in vitro instability of the complexes, which are consistent with the results of experiment. The influence of molecular polarity and intermolecular hydrogen bond on molecular lipophilicity of complexes are investigated. The conclusion provides the theoretical basis for studying reasonable drug design and brain retention mechanism
Additional details
Publishing Information
- Journal Title
- Journal of Isotopes
- Journal Volume
- 10
- Journal Issue
- 2
- Journal Page Range
- p. 103-108.
- ISSN
- 1000-7512
INIS
- Country of Publication
- China
- Country of Input or Organization
- China
- INIS RN
- 28061470
- Subject category
- S62: RADIOLOGY AND NUCLEAR MEDICINE;
- Descriptors DEI
- AMINES; BRAIN; IN VITRO; MOLECULAR STRUCTURE; OXIMES; RADIONUCLIDE KINETICS; RETENTION; STABILITY; TECHNETIUM COMPLEXES; TECHNETIUM 99
- Descriptors DEC
- BETA DECAY RADIOISOTOPES; BETA-MINUS DECAY RADIOISOTOPES; BODY; CENTRAL NERVOUS SYSTEM; COMPLEXES; HOURS LIVING RADIOISOTOPES; HYDROXY COMPOUNDS; INTERMEDIATE MASS NUCLEI; INTERNAL CONVERSION RADIOISOTOPES; ISOMERIC TRANSITION ISOTOPES; ISOTOPES; KINETICS; NERVOUS SYSTEM; NUCLEI; ODD-EVEN NUCLEI; ORGANIC COMPOUNDS; ORGANIC NITROGEN COMPOUNDS; ORGANS; RADIOISOTOPES; TECHNETIUM ISOTOPES; TRANSITION ELEMENT COMPLEXES; YEARS LIVING RADIOISOTOPES