Understanding the spectroscopic properties of the photosynthetic reaction center of Rhodobacter sphaeroides by a combined theoretical study of absorption and circular dichroism spectra.
In the present study, we calculate eight low-lying (1.3-1.7 eV energy region) electronic excited states in well accordance with the absorption and CD spectroscopic properties of PSRC from Rb. shpaeroides by using time-dependent density functional theory (TDDFT). Our present calculations demonstrate that, only when the interactions among the prosthetic groups have been taken into account, a set of satisfactory assignments for both absorption and CD spectra of PSRC from Rb. sphaeroides can be achieved simultaneously.
Ren
Yanliang
Y
Key Laboratory of Pesticide & Chemical Biology (CCNU), Ministry of Education and Department of Chemistry, Central China Normal University, Wuhan 430079, China.
Ke
Wei
W
Li
Yongjian
Y
Feng
Lingling
L
Wan
Jian
J
Xu
Xin
X
D000042:Absorption; D002942:Circular Dichroism; D004583:Electrons; D008958:Models, Molecular; D045322:Photosynthetic Reaction Center Complex Proteins / Q000737:chemistry* / Q000378:metabolism*; D011487:Protein Conformation; D011789:Quantum Theory; D012242:Rhodobacter sphaeroides / Q000201:enzymology*; D013997:Time Factors
D045322:Photosynthetic Reaction Center Complex Proteins