Publications

Fundamentals and Theoretical

Hybrid QM/MM simulations of the obelin bioluminescence and fluorescence reveal an unexpected light emitter. Chen S, Navizet I, Lindh R, Liu Y, Ferré N. J Phys Chem B. 2014 Mar 20;118(11):2896-903.
(http://pubs.acs.org/doi/abs/10.1021/jp412198w)

Understanding bacterial bioluminescence: a theoretical study of the entire process, from reduced flavin to light emission. Hou C, Liu YJ, Ferré N, Fang WH. Chemistry. 2014 Jun 23;20(26):7979-86.
(http://onlinelibrary.wiley.com/doi/10.1002/chem.201400253/abstract;jsessionid=E1EB2ED363D4CA05DE18E0740D5070C8.f03t04)

Chemiexcitation Induced Proton Transfer: Enolate Oxyluciferin as the Firefly Bioluminophore. Pinto da Silva L, Esteves da Silva JC. J Phys Chem B. 2014 Jun 19.
(http://onlinelibrary.wiley.com/doi/10.1002/chem.201400253/abstract;jsessionid=E1EB2ED363D4CA05DE18E0740D5070C8.f03t04 )

Simultaneous Detection of Single Attoliter Droplet Collisions by Electrochemical and Electrogenerated Chemiluminescent Responses. Angew Chem Int Ed Engl. 2014 Sep 11. doi: 10.1002/anie.201407937. Dick JE, Renault C, Kim BK, Bard AJ.
(http://onlinelibrary.wiley.com/doi/10.1002/anie.201407937/abstract)

Red-shifted emission from 1,2-dioxetane-based chemiluminescent reactions. Luminescence. 2014 Sep;29(6):553-8. Park JY, Gunpat J, Liu L, Edwards B, Christie A, Xie XJ, Kricka LJ, Mason RP.
(http://onlinelibrary.wiley.com/doi/10.1002/bio.2666/abstract )

Alieva, R.R., Belogurova, N.V., Petrova, A.S., Kudryasheva, N.S. Effects of alcohols on fluorescence intensity and color of a discharged-obelin-based biomarker. Anal. Bioanal. Chem., 2014, 406, 2965-2974.
(http://link.springer.com/article/10.1007%2Fs00216-014-7685-z)

Bezrukikh, A., Esimbekova, E., Kratasyuk, V., and Shimomura, O. Gelatin and starch as stabilizers for the coupled enzyme system of luminous bacteria NADH:FMN-oxidoreductase-luciferase. Anal. Bioanal. Chem., 2014, 406, 5743-5747
(http://link.springer.com/article/10.1007%2Fs00216-014-7987-1)

Experimental Support for a Single Electron-Transfer Oxidation Mechanism in Firefly Bioluminescence. Branchini BR, Behney CE, Southworth TL, Fontaine DM, Gulick AM, Vinyard DJ, Brudvig GW. J Am Chem Soc. 2015 Jun 24;137(24):7592-5. doi: 10.1021/jacs.5b03820. Epub 2015 Jun 12.
(http://www.ncbi.nlm.nih.gov/pubmed/26057379)

John Lee. (2016) Bioluminescence, the Nature of the Light. (University of Georgia Libraries).
(http://hdl.handle.net/10724/20031)

Phys Chem Chem Phys. 2017 Jan 20. doi: 10.1039/c6cp08154a. [Epub ahead of print] Mechanism of activated chemiluminescence of cyclic peroxides: 1,2-dioxetanes and 1,2-dioxetanones. Augusto FA, Francés-Monerris A, Fdez Galván I, Roca-Sanjuán D, Bastos EL, Baader WJ, Lindh R.
(http://pubs.rsc.org/en/Content/ArticleLanding/2017/CP/C6CP08154A#!divAbstract)

How Do Methyl Groups Enhance the Triplet Chemiexcitation Yield of Dioxetane?
(http://pubs.acs.org/doi/10.1021/acs.jpclett.7b01668)