Photoprotection: extending lessons learned from studying natural sunscreens to the design of artificial sunscreen constituents

LA Baker, B Marchetti, TNV Karsili… - Chemical Society …, 2017 - pubs.rsc.org
Evolution has ensured that plants and animals have developed effective protection
mechanisms against the potentially harmful effects of incident ultraviolet radiation (UVR) …

The role of πσ* states in the photochemistry of heteroaromatic biomolecules and their subunits: insights from gas-phase femtosecond spectroscopy

GM Roberts, VG Stavros - Chemical Science, 2014 - pubs.rsc.org
In an effort to illuminate why nature has chosen a particular set of bio-molecular 'building-
blocks' for life, recent years have seen an up-surge of gas-phase spectroscopy experiments …

Structure and dynamic role of conical intersections in the πσ*-mediated photodissociation reactions

HS You, S Han, JH Yoon, JS Lim, J Lee… - … Reviews in Physical …, 2015 - Taylor & Francis
Conical intersection as a dynamic funnel in nonadiabatic transition dictates many important
chemical reaction outputs such as reaction rates, yields, and energy disposals especially for …

Ab Initio Study of Potential Ultrafast Internal Conversion Routes in Oxybenzone, Caffeic Acid, and Ferulic Acid: Implications for Sunscreens

TNV Karsili, B Marchetti, MNR Ashfold… - The Journal of …, 2014 - ACS Publications
Oxybenzone (OB) and ferulic acid (FA) both find use in commercial sunscreens; caffeic acid
(CA) differs from FA by virtue of an− OH group in place of a− OCH3 group on the aromatic …

Expanding the range of hierarchical equations of motion by tensor-train implementation

R Borrelli, S Dolgov - The Journal of Physical Chemistry B, 2021 - ACS Publications
The non-equilibrium thermo-field dynamics formulation of the hierarchical equations of
motion combined with the tensor-train representation of the density matrix is discussed, and …

Theoretical insights into the photo-protective mechanisms of natural biological sunscreens: building blocks of eumelanin and pheomelanin

B Marchetti, TNV Karsili - Physical Chemistry Chemical Physics, 2016 - pubs.rsc.org
Eumelanin (EM) and pheomelanin (PM) are ubiquitous in mammalian skin and hair–
protecting against harmful radiation from the sun. Their primary roles are to absorb solar …

Ultraviolet spectroscopy of fundamental lignin subunits: Guaiacol, 4-methylguaiacol, syringol, and 4-methylsyringol

JC Dean, P Navotnaya, AP Parobek… - The Journal of …, 2013 - pubs.aip.org
Ultraviolet spectroscopy of the G-and S-type lignin subunits, guaiacol (G) and syringol (S),
along with their para-methylated derivatives 4-methylguaiacol (4-MG) and 4-methylsyringol …

Intermolecular hydrogen bonding modulates O‐H photodissociation in molecular aggregates of a catechol derivative

C Grieco, FR Kohl, Y Zhang, S Natarajan… - Photochemistry and …, 2019 - Wiley Online Library
The catechol functional group plays a major role in the chemistry of a wide variety of
molecules important in biology and technology. In eumelanin, intermolecular hydrogen …

Solvent induced conformer specific photochemistry of guaiacol

SE Greenough, MD Horbury, JOF Thompson… - Physical Chemistry …, 2014 - pubs.rsc.org
Using a combination of ultrafast solution-and gas-phase spectroscopies, together with high-
level theory calculations, we demonstrate that we are able to track conformer-specific …

Photofragmentation spectroscopy of cold protonated aromatic amines in the gas phase

G Féraud, M Broquier, C Dedonder-Lardeux… - Physical Chemistry …, 2014 - pubs.rsc.org
The electronic spectra of cold protonated aromatic amines: anilineH+ C6H5–NH3+,
benzylamineH+ C6H5–CH2–NH3+ and phenylethylamineH+ C6H5–(CH2) 2–NH3+ have …