Theory and simulation of the ultrafast double-bond isomerization of biological chromophores

S Gozem, HL Luk, I Schapiro, M Olivucci - Chemical reviews, 2017 - ACS Publications
Ultrafast processes in light-absorbing proteins have been implicated in the primary step in
the light-to-energy conversion and the initialization of photoresponsive biological functions …

From a one-mode to a multi-mode understanding of conical intersection mediated ultrafast organic photochemical reactions

Y Boeije, M Olivucci - Chemical Society Reviews, 2023 - pubs.rsc.org
Over the last few decades, conical intersections (CoIns) have grown from theoretical
curiosities into common mechanistic features of photochemical reactions, whose function is …

Functions, therapeutic applications, and synthesis of retinoids and carotenoids

R Alvarez, B Vaz, H Gronemeyer, AR de Lera - Chemical reviews, 2014 - ACS Publications
Vitamin A (all-trans-retinol, 1, Figure 1) is considered the most multifunctional vitamin in the
human body. 1 It plays key roles in many physiological processes such as vision …

Quantum computing and chemistry

JD Weidman, M Sajjan, C Mikolas, ZJ Stewart… - Cell Reports Physical …, 2024 - cell.com
As the year-to-year gains in speeds of classical computers continue to taper off,
computational chemists are increasingly examining quantum computing as a possible route …

Intrinsic photoisomerization dynamics of protonated Schiff-base retinal

HV Kiefer, E Gruber, J Langeland, PA Kusochek… - Nature …, 2019 - nature.com
The retinal protonated Schiff-base (RPSB) in its all-trans form is found in bacterial
rhodopsins, whereas visual rhodopsin proteins host 11-cis RPSB. In both cases …

Effects of the Unique Chromophore–Protein Interactions on the Primary Photoreaction of Schizorhodopsin

CF Chang, M Konno, K Inoue… - The Journal of Physical …, 2023 - ACS Publications
Schizorhodopsin (SzR) is a newly discovered microbial rhodopsin subfamily, functioning as
an unusual inward-proton (H+) pump upon absorbing light. Two major protein structural …

Experimental detection of branching at a conical intersection in a highly fluorescent molecule

J Brazard, LA Bizimana, T Gellen… - The Journal of …, 2016 - ACS Publications
Conical intersections are molecular configurations at which adiabatic potential-energy
surfaces touch. They are predicted to be ubiquitous, yet condensed-phase experiments …

Controlling the excited-state reaction dynamics of a photochromic molecular switch with sequential two-photon excitation

CL Ward, CG Elles - The Journal of Physical Chemistry Letters, 2012 - ACS Publications
Sequential two-photon excitation increases the cycloreversion yield of a diarylethene-type
photochromic molecular switch compared with one-photon excitation. This letter shows for …

Comparison of the isomerization mechanisms of human melanopsin and invertebrate and vertebrate rhodopsins

S Rinaldi, F Melaccio, S Gozem… - Proceedings of the …, 2014 - National Acad Sciences
Comparative modeling and ab initio multiconfigurational quantum chemistry are combined
to investigate the reactivity of the human nonvisual photoreceptor melanopsin. It is found that …

Ultrafast UV-induced photoisomerization of intramolecularly H-bonded symmetric β-diketones

PK Verma, F Koch, A Steinbacher… - Journal of the …, 2014 - ACS Publications
In photoinduced molecular reaction dynamics, the effects of electronic charge redistribution
can lead to multiple pathways that are determined by the nature of the initial structures …