Dataset Information

Steric and electronic influences on the torsional energy landscape of retinal.

ABSTRACT: We have performed quantum mechanical calculations for retinal model compounds to establish the rotational energy barriers for the C5-, C9-, and C13-methyl groups known to play an essential role in rhodopsin activation. Intraretinal steric interactions as well as electronic effects lower the rotational barriers of both the C9- and C13-methyl groups, consistent with experimental (2)H NMR data. Each retinal methyl group has a unique rotational behavior which must be treated individually. These results are highly relevant for the parameterization of molecular mechanics force fields which form the basis of molecular dynamics simulations of retinal proteins such as rhodopsin.

SUBMITTER: Mertz B

PROVIDER: S-EPMC3145276 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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Steric and electronic influences on the torsional energy landscape of retinal.

Mertz Blake B Lu Michael M Brown Michael F MF Feller Scott E SE

Biophysical journal 20110801 3

We have performed quantum mechanical calculations for retinal model compounds to establish the rotational energy barriers for the C5-, C9-, and C13-methyl groups known to play an essential role in rhodopsin activation. Intraretinal steric interactions as well as electronic effects lower the rotational barriers of both the C9- and C13-methyl groups, consistent with experimental (2)H NMR data. Each retinal methyl group has a unique rotational behavior which must be treated individually. These resu ...[more]

PMID: 21806916

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Project description:Exotropia in congenital homonymous hemianopia has been reported to provide field expansion that is more useful when accompanied with harmonious anomalous retinal correspondence (HARC). Torsional strabismus with HARC provides a similar functional advantage. In a subject with hemianopia demonstrating a field expansion consistent with torsion, we documented torsional strabismus and torsional HARC.Monocular visual fields under binocular fixation conditions were plotted using a custom dichoptic visual field perimeter. The dichoptic visual field was also modified to measure perceived visual directions under dissociated and associated conditions across the central 50° diameter field. The field expansion and retinal correspondence of a subject with torsional strabismus (along with exotropia and right hypertropia) with congenital homonymous hemianopia was compared with that of another exotropic subject with acquired homonymous hemianopia without torsion and to a control subject with minimal phoria. Torsional rotations of the eyes were calculated from fundus photographs and perimetry.Torsional anomalous retinal correspondence documented in the subject with congenital homonymous hemianopia provided a functional binocular field expansion up to 18°. Normal retinal correspondence was mapped for the full 50° visual field in the control subject and for the seeing field of the acquired homonymous hemianopia subject, limiting the functional field expansion benefit.Torsional strabismus with anomalous retinal correspondence, when occurring with homonymous hemianopia provides useful field expansion in the lower and upper fields. Dichoptic perimetry permits documentation of ocular alignment (lateral, vertical, and torsional) and perceived visual direction under binocular and monocular viewing conditions. Evaluating patients with congenital or early strabismus for HARC is useful when considering surgical correction, particularly in the presence of congenital homonymous hemianopia.

Dataset Information

Steric and electronic influences on the torsional energy landscape of retinal.

Publications

Steric and electronic influences on the torsional energy landscape of retinal.

Similar Datasets

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