Component spectroscopic properties of light-harvesting complexes with DFT calculations

Biocell

article

SHYAM BADU¹  SANJAY PRABHAKAR¹  RODERICK MELNIK¹ 

[1] MS2Discovery Interdisciplinary Research Institute, M2Net Lab, Wilfrid Laurier University;Department of Natural Science, Gordon State College;BCAM–Basque Center for Applied Mathematics

关键词: Photosynthesis;    Bacteriochlorophylls;    Light harvesting;    Pigment-protein complexes;    Density functional theory;    Complex networks;    Photocatalysis;    Biosensing and bioplasmonics;   

DOI  :  10.32604/biocell.2020.010916

学科分类：仪器

来源: Biocell

【 摘 要 】

Photosynthesis is a fundamental process in biosciences and biotechnology that influences profoundly the research in other disciplines. In this paper, we focus on the characterization of fundamental components, present in pigment-protein complexes, in terms of their spectroscopic properties such as infrared spectra, nuclear magnetic resonance, as well as nuclear quadrupole resonance, which are of critical importance for many applications. Such components include chlorophylls and bacteriochlorophylls. Based on the density functional theory method, we calculate the main spectroscopic characteristics of these components for the Fenna-Matthews-Olson light-harvesting complex, analyze them and compare them with available experimental results. Future outlook is discussed in the context of current and potential applications of the presented results.

【 授权许可】

CC BY