MSRT,ISC
37
h-index
h-index
Study of Photoisomerization in Cis-Retinal as a Natural Photo Switch in Vision Using Density Functional Theory
Document Type : Original Article
Authors
1 Department of Chemistry, Saveh Branch, Islamic azad University, Saveh, Iran
2 Department of Chemistry, Bourojerd Branch, Islamic Azad University, Bourojerd, Iran
Abstract
In the present study, theoretical chemical reactivates Photo isomerization in Cis-Retinal as a Natural Photo switch in Vision. DFT hybrid functional, B3LYP and, post-HF method, were the theoretical methods applied utilizing G09 software. 6-31G+ (d,p) basis set employed for structural optimizations, and single point computations performed using B3LYP/6-31G+(d,p). The isomers cis molecule retinal from 0 to 180 ° in steps of 10 degrees to the trans isomers convert and we calculate the energy in each step, we determined that the most appropriate angle for the conversion of isomers of cis to trans angleq = 90.11 ° the energy barrier less be.It identified that transmission S0® S1 is the most likely transmission
Keywords
Albert AD, Yeagle PL. (2002).Structural studies on rhodopsin.BiochimBiophysActa 1565: 183
Warshel, A. (1976), Bicycle-pedal model for the first step in the vision process Nature 260 679.
Hofmann KP. (2000). In Handbook ofBiological Physics: MolecularMechanisms in Visual Transduction,ed. DG Stavenga, WJ DeGrip, ENPugh, pp. 91–142. New-York:Elsevier/NorthHolland
Nielsen, L I.B. Lammich, L.H. Andersen, (2006), S1 and S2 Excited States of Gas-Phase Schiff-Base Retinal Chromophores, Phys. Rev. Lett, 96, 018304.
Parrinello M., (1998) maximally localized Wannier functions for disordered systems: application to amorphous silicon Solid State Commun. 102 107
Valsson, C. Filippi, (2010), Photoisomerization of model retinal chromophores: Insight from quantum Monte Carlo and multiconfigurational perturbation theory, J. Chem. Theory Comput, 64, 1275.
Kukura, D.W. McCamant, S. Yoon, D.B. Wandschneider, R.A. Mathies, (2005), Structural observation of the primary isomerization in vision with femtosecond-stimulated Raman, Science, 310, 1006
Hargrave P.A., (1983), Projection structure of rhodopsin, Eur. Biophys. J, 94, 235.
Singh, B.M. Deb,(1999) Time-Dependent Density-Functional Theory: Concepts and Applications Phys. Rep. 311 47.
Sakmar TP. (1998). Rhodopsin: aprototypical G protein-coupledreceptor. Prog Nucleic Acid Res MolBiol 59: 1
Meyer, E. Yakali, M.A. Cusanovich, G. Tollin, (1987), A water-soluble yellow protein from E. halophila was previously shown to be photoactive, Biochemistry, 262, 418.
Vreven, F. Bernardi, M. Garavelli, M. Olivucci, M.A. Robb, H.B. Schlegel, (1997) Conical intersection mechanism for photochemical ring opening in benzospiropyran compounds J. Am. Chem. Soc. 119 12687.
Humphrey, I. Logunov, K. Schulten, M. Sheves, (1994), Molecular dynamics study of bacteriorhodopsin and artificial pigments ,Biochemistry 33 ,3668.
Yoshizawa T, Wald G. (1963). Pre-lumirhodopsin and the bleaching ofvisual pigments. Nature 197:1279
Warshel, A. (1976), Bicycle-pedal model for the first step in the vision process Nature 260 679.
Hofmann KP. (2000). In Handbook ofBiological Physics: MolecularMechanisms in Visual Transduction,ed. DG Stavenga, WJ DeGrip, ENPugh, pp. 91–142. New-York:Elsevier/NorthHolland
Nielsen, L I.B. Lammich, L.H. Andersen, (2006), S1 and S2 Excited States of Gas-Phase Schiff-Base Retinal Chromophores, Phys. Rev. Lett, 96, 018304.
Parrinello M., (1998) maximally localized Wannier functions for disordered systems: application to amorphous silicon Solid State Commun. 102 107
Valsson, C. Filippi, (2010), Photoisomerization of model retinal chromophores: Insight from quantum Monte Carlo and multiconfigurational perturbation theory, J. Chem. Theory Comput, 64, 1275.
Kukura, D.W. McCamant, S. Yoon, D.B. Wandschneider, R.A. Mathies, (2005), Structural observation of the primary isomerization in vision with femtosecond-stimulated Raman, Science, 310, 1006
Hargrave P.A., (1983), Projection structure of rhodopsin, Eur. Biophys. J, 94, 235.
Singh, B.M. Deb,(1999) Time-Dependent Density-Functional Theory: Concepts and Applications Phys. Rep. 311 47.
Sakmar TP. (1998). Rhodopsin: aprototypical G protein-coupledreceptor. Prog Nucleic Acid Res MolBiol 59: 1
Meyer, E. Yakali, M.A. Cusanovich, G. Tollin, (1987), A water-soluble yellow protein from E. halophila was previously shown to be photoactive, Biochemistry, 262, 418.
Vreven, F. Bernardi, M. Garavelli, M. Olivucci, M.A. Robb, H.B. Schlegel, (1997) Conical intersection mechanism for photochemical ring opening in benzospiropyran compounds J. Am. Chem. Soc. 119 12687.
Humphrey, I. Logunov, K. Schulten, M. Sheves, (1994), Molecular dynamics study of bacteriorhodopsin and artificial pigments ,Biochemistry 33 ,3668.
Yoshizawa T, Wald G. (1963). Pre-lumirhodopsin and the bleaching ofvisual pigments. Nature 197:1279
Volume 1, Issue 11 - Serial Number 11
November and December 2013Pages 1505-1511
- Receive Date 19 August 2014
| Article View | 41,525 |
| PDF Download | 10,998 |