Ultrafast elementary photochemical processes of organic molecules in liquid solution

T Kumpulainen, B Lang, A Rosspeintner… - Chemical …, 2017 - ACS Publications
Ultrafast photochemical reactions in liquids occur on similar or shorter time scales compared
to the equilibration of the optically populated excited state. This equilibration involves the …

Photochemistry and photophysics in silica-based materials: ultrafast and single molecule spectroscopy observation

N Alarcos, B Cohen, M Ziółek, A Douhal - Chemical Reviews, 2017 - ACS Publications
Silica-based materials (SBMs) are widely used in catalysis, photonics, and drug delivery.
Their pores and cavities act as hosts of diverse guests ranging from classical dyes to drugs …

Reversible Switching Based on Truly Intramolecular Long-Range Proton Transfer─ Turning the Theoretical Concept into Experimental Reality

C Rehhagen, MA Argüello Cordero… - Journal of the …, 2024 - ACS Publications
Herein, we demonstrate a working prototype of a conjugated proton crane, a reversible
tautomeric switching molecule in which truly intramolecular long-range proton transfer …

7-OH quinoline Schiff bases: are they the long awaited tautomeric bistable switches?

A Georgiev, D Yordanov, N Ivanova, V Deneva… - Dyes and …, 2021 - Elsevier
Abstract Two novel, 7-hydroxyquinoline based, Schiff bases have been synthesized and
their spectral properties have been investigated by combined use of optical and NMR …

The effect of hydrogen bonding on the excited-state proton transfer in 2-(2′-hydroxyphenyl) benzothiazole: a TDDFT molecular dynamics study

N Kungwan, F Plasser, AJA Aquino… - Physical Chemistry …, 2012 - pubs.rsc.org
The dynamics of the excited-state proton transfer (ESPT) in a cluster of 2-(2′-
hydroxyphenyl) benzothiazole (HBT) and hydrogen-bonded water molecules was …

Tautobase: An Open Tautomer Database

O Wahl, T Sander - Journal of Chemical Information and Modeling, 2020 - ACS Publications
There has been decades of research on determining and predicting acid dissociation
constants (p K a) and the tautomer ratios both experimentally and theoretically. However, the …

The solvent-regulated excited state reaction mechanism of 2-(2′-hydroxyphenyl) benzothiazole aggregates

A Jain, S De, P Haloi, P Barman - Photochemical & Photobiological …, 2024 - Springer
The excited state relaxation dynamics of 2-(2′-hydroxyphenyl) benzothiazole (HBT) in the
gas phase and the solvents have been explored experimentally and theoretically. However …

Experimental and pKa prediction aspects of tautomerism of drug-like molecules

YC Martin - Drug Discovery Today: Technologies, 2018 - Elsevier
Molecules that can tautomerize are a challenge to scientists because one must consider the
possible tautomers in most tasks involving chemical structures: for example, searching …

Azaindolizine proton cranes attached to 7-hydroxyquinoline and 3-hydroxypyridine: a comparative theoretical study

S Slavova, L Antonov - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
Theoretical design of several proton cranes, based on 7-hydroxyquinoline and 3-
hydroxypyridine as proton-transfer frames, has been attempted using ground and excited …

Quinoline-based HIV integrase inhibitors

R Musiol - Current pharmaceutical design, 2013 - ingentaconnect.com
HIV integrase became an important target for drug development more than twenty years
ago. However, progress has been hampered by the lack of assays suitable for high …