Photophysics and photochemistry of NIR absorbers derived from cyanines: key to new technologies based on chemistry 4.0

B Strehmel, C Schmitz, C Kütahya… - Beilstein Journal of …, 2020 - beilstein-journals.org
Cyanines derived from heptamethines were mainly discussed regarding their
functionalization to broaden the solubility in different surroundings exhibiting either …

Towards developing novel and sustainable molecular light-to-heat converters

TT Abiola, B Rioux, JM Toldo, J Alarcan… - Chemical …, 2021 - pubs.rsc.org
Light-to-heat conversion materials generate great interest due to their widespread
applications, notable exemplars being solar energy harvesting and photoprotection. Another …

Supramolecular Catalysis of m-Xylene Isomerization by Cucurbiturils: Transition State Stabilization, Vibrational Coupling, and Dynamic Binding Equilibrium

H Lambert, YW Zhang, TC Lee - The Journal of Physical Chemistry …, 2020 - ACS Publications
The ability of cucurbit [6] uril (CB6) and cucurbit [7] uril (CB7) to catalyze the thermally
activated 1, 2-methyl shift isomerization pathway of m-xylene in vacuum is investigated …

Insight into the Photodynamics of Photostabilizer Molecules

TT Abiola, B Rioux, S Johal, MM Mention… - The Journal of …, 2022 - ACS Publications
Solar exposure of avobenzone, one of the most widely used commercial UVA filters on the
market, is known to cause significant degradation. This finding has fueled research into …

Photophysical properties of benzo [i] dipyrido [3, 2-a: 2′, 3′-c] phenazine (dppn)–A prospective ligand for light-activated anticancer complexes

VA Meshcheryakova, VP Grivin, AV Mikheylis… - Journal of …, 2024 - Elsevier
Abstract Benzo [i] dipyrido [3, 2-a: 2′, 3′ c] phenazine (dppn) is a prospective ligand for
constructing light-activated anticancer complexes of platinum metals. In spite of practical …

Modeling the heating and cooling of a chromophore after photoexcitation

E Ventura, SA Do Monte, MT Do Casal… - Physical Chemistry …, 2022 - pubs.rsc.org
The heating of a chromophore due to internal conversion and its cooling down due to
energy dissipation to the solvent are crucial phenomena to characterize molecular …

How the water-soluble hemicarcerand incarcerates guests at room temperature decoded with modular simulations

KG McFerrin, YP Pang - Communications Chemistry, 2021 - nature.com
Molecular dynamics simulations of hemicarcerands and related variants allow the study of
constrictive binding and offer insight into the rules of molecular complexation, but are limited …

Computational NMR Spectra of o‐Benzyne and Stable Guests and Their Hemicarceplexes

AC Castro, A Romero‐Rivera, S Osuna… - … A European Journal, 2020 - Wiley Online Library
The incarceration of o‐benzyne and 27 other guest molecules within hemicarcerand 1, as
reported experimentally by Warmuth, and Cram and co‐workers, has been studied by …

Building with cucurbit [n] urils: a computational study of host-guest chemistry and inner-phase reactions

H Lambert - 2022 - discovery.ucl.ac.uk
Enzymes are nature's impressive supramolecular catalysts. Through the help of non-
covalent forces, usually at least an order of magnitude weaker than chemical bonds …

How a Hemicarcerand Incarcerates Guests at Room Temperature Decoded with Modular Simulations

KG McFerrin, YP Pang - bioRxiv, 2020 - biorxiv.org
Hemicarcerands are host molecules created to study constrictive binding with guest
molecules for insights into the rules of molecular complexation. However, the molecular …