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Parameters of the protein energy landscapes of several light-harvesting complexes probed via spectral hole growth kinetics measurements.

Author(s): Herascu N, Najafi M, Amunts A, Pieper J, Irrgang KD, Picorel R, Seibert M, Zazubovich V

J Phys Chem B. 2011 Mar 31;115(12):2737-47 Authors: Herascu N, Najafi M, Amunts A, Pieper J, Irrgang KD, Picorel R, Seibert M, Zazubovich V

Article GUID: 21391534
Spectral hole burning, recovery, and thermocycling in chlorophyll-protein complexes: distributions of barriers on the protein energy landscape.

Author(s): Najafi M, Herascu N, Seibert M, Picorel R, Jankowiak R, Zazubovich V

J Phys Chem B. 2012 Sep 27;116(38):11780-90 Authors: Najafi M, Herascu N, Seibert M, Picorel R, Jankowiak R, Zazubovich V

Article GUID: 22957798
Conformational Changes in Pigment-Protein Complexes at Low Temperatures-Spectral Memory and a Possibility of Cooperative Effects.

Author(s): Najafi M, Herascu N, Shafiei G, Picorel R, Zazubovich V

J Phys Chem B. 2015 Jun 11;119(23):6930-40 Authors: Najafi M, Herascu N, Shafiei G, Picorel R, Zazubovich V

Article GUID: 25985255
Monte Carlo Modeling of Spectral Diffusion Employing Multiwell Protein Energy Landscapes: Application to Pigment-Protein Complexes Involved in Photosynthesis.

Author(s): Najafi M, Zazubovich V

J Phys Chem B. 2015 Jun 25;119(25):7911-21 Authors: Najafi M, Zazubovich V

Article GUID: 26020801
Spectral Hole Burning in Cyanobacterial Photosystem I with P700 in Oxidized and Neutral States.

Author(s): Herascu N, Hunter MS, Shafiei G, Najafi M, Johnson TW, Fromme P, Zazubovich V

J Phys Chem B. 2016;120(40):10483-10495 Authors: Herascu N, Hunter MS, Shafiei G, Najafi M, Johnson TW, Fromme P, Zazubovich V

Article GUID: 27661089
Title:Monte Carlo Modeling of Spectral Diffusion Employing Multiwell Protein Energy Landscapes: Application to Pigment-Protein Complexes Involved in Photosynthesis.
Authors:Najafi M,  Zazubovich V
Link:https://www.ncbi.nlm.nih.gov/pubmed/26020801?dopt=Abstract
Category:J Phys Chem B
PMID:26020801
Dept Affiliation: PHYSICS
1 Department of Physics, Concordia University, Montreal H4B 1R6, Quebec, Canada.

Description:

Monte Carlo Modeling of Spectral Diffusion Employing Multiwell Protein Energy Landscapes: Application to Pigment-Protein Complexes Involved in Photosynthesis.

J Phys Chem B. 2015 Jun 25;119(25):7911-21

Authors: Najafi M, Zazubovich V

Abstract

We are reporting development and initial applications of the light-induced and thermally induced spectral diffusion modeling software, covering nonphotochemical spectral hole burning (NPHB), hole recovery, and single-molecule spectroscopy and involving random generation of the multiwell protein energy landscapes. The model includes tunneling and activated barrier-hopping in both ground and excited states of a protein-chromophore system. Evolution of such a system is predicted by solving the system of rate equations. Using the barrier parameters from the range typical for the energy landscapes of the pigment-protein complexes involved in photosynthesis, we (a) show that realistic cooling of the sample must result in proteins quite far from thermodynamic equilibrium, (b) demonstrate hole evolution in the cases of burning, fixed-temperature recovery and thermocycling that mostly agrees with the experiment and modeling based on the NPHB master equation, and (c) explore the effects of different protein energy landscapes on the antihole shape. Introducing the multiwell energy landscapes and starting the hole burning experiments in realistic nonequilibrium conditions are not sufficient to explain all experimental observations even qualitatively. Therefore, for instance, one is required to invoke the modified NPHB mechanism where a complex interplay of several small conformational changes is poising the energy landscape of the pigment-protein system for downhill tunneling.

PMID: 26020801 [PubMed - indexed for MEDLINE]