Excited-State Decay Pathways of Flavin Molecules in Five Redox Forms: The Role of Conical Intersections

The Journal of Physical Chemistry. a
Yuejie AiXiangke Wang

Abstract

Flavin molecules play an important role in light-driven biological activities. They have drawn significant interest for decades because of their rich photochemistry. In addition to the well-explored FADH- (anionic hydroquinone), which is supposed to be the only catalytic active state to repair DNA lesions, other four flavin molecules (i.e., FAD, FAD·-, FADH·, and FADH2) in three redox forms combined the redox cycle of flavins. Although extensive studies have been carried out for steady-state spectroscopic properties of five redox flavins in various proteins and solutions, the photochemistry and photophysical properties of those different redox states significantly complicate the corresponding theoretical studies. In present work, we employed the ab initio wave function based CASSCF method to systematically investigate the excited state decay pathways of flavins in five redox forms through two approaches. First, the comparison of the absorption and emission spectra from both theoretical calculation and experiment allows a detailed mapping of the transition properties of different redox states in flavins. Second, we identified four kinds of conical intersections (CIs) for five different redox states as the possible deactivation m...Continue Reading

References

Oct 11, 2001·Proceedings of the National Academy of Sciences of the United States of America·D Zhong, A H Zewail
Apr 1, 2003·Journal of Computational Chemistry·Maurizio CossiVincenzo Barone
Sep 20, 2005·Proceedings of the National Academy of Sciences of the United States of America·Ya-Ting KaoDongping Zhong
Mar 14, 2007·Current Opinion in Chemical Biology·Dongping Zhong
May 27, 2008·Journal of the American Chemical Society·Ya-Ting KaoDongping Zhong
Sep 5, 2008·Journal of the American Chemical Society·Ya-Ting KaoDongping Zhong
Jun 6, 2009·Journal of Computational Chemistry·Francesco AquilanteRoland Lindh
Jun 10, 2010·Physical Chemistry Chemical Physics : PCCP·Keyarash SadeghianMartin Schütz
Jan 5, 2011·Photochemistry and Photobiology·Anikó Udvarhelyi, Tatiana Domratcheva
Apr 8, 2011·Angewandte Chemie·Jakob GriljEric Vauthey
Jul 27, 2011·The Journal of Physical Chemistry. a·Akira Nakayama, Tetsuya Taketsugu
May 9, 2014·Chemical Society Reviews·S GozemM Olivucci
Jul 22, 2014·Angewandte Chemie·Samer GozemMassimo Olivucci
Aug 26, 2014·Current Opinion in Biotechnology·Arnab Mukherjee, Charles M Schroeder
Apr 2, 2015·Annual Review of Physical Chemistry·Dongping Zhong
Nov 13, 2012·Journal of Chemical Theory and Computation·Samer GozemMassimo Olivucci
Jul 16, 2016·The Journal of Physical Chemistry. a·Xue-Ping ChangGanglong Cui

❮ Previous
Next ❯

Citations

May 28, 2020·Physical Chemistry Chemical Physics : PCCP·Karno SchwinnMiquel Huix-Rotllant
Feb 13, 2019·Chembiochem : a European Journal of Chemical Biology·Dan SuGiovanni Gadda
Nov 18, 2020·Nature Nanotechnology·Antonietta De SioChristoph Lienau
Apr 28, 2020·The Journal of Physical Chemistry. a·Brian D EtzShubham Vyas
Oct 5, 2021·Physical Chemistry Chemical Physics : PCCP·Nadia DozovaPascal Plaza

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

Related Papers

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
R R ValievT N Kopylova
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
Sebastian MaiLeticia González
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
Leticia GonzálezLuis Serrano-Andrés
© 2022 Meta ULC. All rights reserved