Photostability of Hydroxocobalamin: Ultrafast Excited State Dynamics and Computational Studies

Theodore E Wiley; William R Miller; Nicholas A Miller; Roseanne J Sension; Piotr Lodowski; Maria Jaworska; Pawel M Kozlowski

doi:10.1021/acs.jpclett.5b02333

Photostability of Hydroxocobalamin: Ultrafast Excited State Dynamics and Computational Studies

J Phys Chem Lett. 2016 Jan 7;7(1):143-7. doi: 10.1021/acs.jpclett.5b02333. Epub 2015 Dec 23.

Authors

Theodore E Wiley¹, William R Miller¹, Nicholas A Miller¹, Roseanne J Sension¹, Piotr Lodowski², Maria Jaworska², Pawel M Kozlowski^{3

4}

Affiliations

¹ Department of Chemistry, University of Michigan , 930 North University Avenue, Ann Arbor, Michigan 48109-1055, United States.
² Department of Theoretical Chemistry, Institute of Chemistry, University of Silesia , Szkolna 9, 40-006 Katowice, Poland.
³ Department of Chemistry, University of Louisville , 2320 South Brook Street, Louisville, Kentucky 40292, United States.
⁴ Visiting Professor at the Department of Food Sciences, Medical University of Gdansk , Al. Gen. J. Hallera 107, 80-416 Gdansk, Poland.

PMID: 26655401
DOI: 10.1021/acs.jpclett.5b02333

Abstract

Hydroxocobalamin is a potential biocompatible source of photogenerated hydroxyl radicals localized in time and space. The photogeneration of hydroxyl radicals is studied using time-resolved spectroscopy and theoretical simulations. Radicals are only generated for wavelengths <350 nm through a mechanism that involves competition between prompt dissociation and internal conversion. Characterization of the lowest-lying singlet potential energy surface provides insight into the photochemistry of hydroxocobalamin and other cobalamin compounds.

Keywords: Cobalamin; Electronic Structure; Excited States; Photochemistry; Vitamin B12; femtosecond spectroscopy.

Publication types

Research Support, Non-U.S. Gov't
Research Support, U.S. Gov't, Non-P.H.S.