Excitation dynamics in Phycoerythrin 545: modeling of steady-state spectra and transient absorption with modified Redfield theory.

Novoderezhkin VI; Doust AB; Curutchet C; Scholes GD; van Grondelle R

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Excitation dynamics in Phycoerythrin 545: modeling of steady-state spectra and transient absorption with modified Redfield theory.

机译：藻红蛋白545中的激发动力学：使用改进的Redfield理论对稳态光谱和瞬态吸收进行建模。

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We model the spectra and excitation dynamics in the phycobiliprotein antenna complex PE545 isolated from the unicellular photosynthetic cryptophyte algae Rhodomonas CS24. The excitonic couplings between the eight bilins are calculated using the CIS/6-31G method. The site energies are extracted from a simultaneous fit of the absorption, circular dichroism, fluorescence, and excitation anisotropy spectra together with the transient absorption kinetics using the modified Redfield approach. Quantitative fit of the data enables us to assign the eight exciton components of the spectra and build up the energy transfer picture including pathways and timescales of energy relaxation, thus allowing a visualization of excitation dynamics within the complex.

机译：我们对从单细胞光合隐藻藻类Rhodomonas CS24分离的藻胆蛋白天线复合物PE545的光谱和激发动力学进行建模。使用CIS / 6-31G方法计算八个胆囊蛋白之间的激子耦合。使用改进的Redfield方法从吸收，圆二色性，荧光和激发各向异性光谱的同时拟合以及瞬态吸收动力学中提取位能。数据的定量拟合使我们能够分配光谱的八个激子分量，并建立包括能量弛豫的路径和时标的能量转移图，从而使复合物中的激发动力学可视化。

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《Biophysical Journal》 |2010年第2期|共9页
作者
Novoderezhkin VI; Doust AB; Curutchet C; Scholes GD; van Grondelle R;
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正文语种 eng
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1. Excitation dynamics in Phycoerythrin 545: modeling of steady-state spectra and transient absorption with modified Redfield theory. [J] . Novoderezhkin VI, Doust AB, Curutchet C, Biophysical Journal . 2010,第2期

机译：藻红蛋白545中的激发动力学：使用改进的Redfield理论对稳态光谱和瞬态吸收进行建模。
2. On the accuracy of coherent modified Redfield theory in simulating excitation energy transfer dynamics [J] . Chang Yu, Cheng Yuan-Chung The Journal of Chemical Physics . 2015,第3期

机译：相干改进Redfield理论在模拟激发能传递动力学中的准确性
3. Influence of the Protein Environment on the Electronic Excitation of Chromophores in the Phycoerythrin 545 Light-Harvesting Complex: A Combined MD-QM/MM Method with Polarized Protein-Specific Charge Scheme [J] . Tong Zhengqing, Huai Zhe, Mei Ye, The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2019,第9期

机译：蛋白质环境对植物植物特异性综合络合中发色团的电子激发的影响：偏振蛋白特异性电荷方案的组合MD-QM / MM方法
4. Femtosecond Transient Absorption Spectra and Relaxation Dynamics of SWNT in SDS Micellar Solutions [C] . V. A. Nadtochenko, A. S. Lobach, F. E. Gostev, International Winter School on Electronic Properties of Novel Materials . 2005

机译：SWNT在SDS胶束溶液中SWNT的飞秒瞬态吸收光谱和放松动态
5. Femtosecond Transient Absorption Study of Excited-State Dynamics in DNA Model Systems: Thymine-dimer Containing Trinucleotides, Alternate Nucleobases, and Modified Backbone Dinucleosides [D] . Chen, Jinquan. 2012

机译：飞秒瞬态吸收研究DNA模型系统中的激发态动力学：胸腺嘧啶二聚体，包含三核苷酸，替代核糖核酸和修饰的主链二核苷。
6. Excitation Dynamics in Phycoerythrin 545: Modeling of Steady-State Spectra and Transient Absorption with Modified Redfield Theory [O] . Vladimir I. Novoderezhkin, Alexander B. Doust, Carles Curutchet, 2010

机译：藻红蛋白545的激发动力学：稳态光谱和瞬态吸收的修正Redfield理论建模
7. Excitation Dynamics in Phycoerythrin 545: Modeling of Steady-State Spectra and Transient Absorption with Modified Redfield Theory [O] . Novoderezhkin, Vladimir I., Doust, Alexander B., Curutchet, Carles, 2010

机译：藻红蛋白545的激发动力学：稳态光谱和瞬态吸收的修正Redfield理论建模

Excitation dynamics in Phycoerythrin 545: modeling of steady-state spectra and transient absorption with modified Redfield theory.

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