4.5 Article

Nonadiabatic Dynamics Mechanism of Chalcone Analogue Sunscreen FPPO-HBr: Excited State Intramolecular Proton Transfer Followed by Conformation Twisting

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

Nonadiabatic dynamics Mechanisms of natural UV Photoprotection ompounds chlorogenic acid and isochlorogenic acid a: Double conjugated structures but single photoexcited channel

Mengqi Wang et al.

Summary: This study proposes natural molecules chlorogenic acid (CA) and isochlorogenic acid A (ICAA) as potential sunscreens for the first time, revealing their non-radiative energy relaxation mechanisms and photoisomerization channels. The dual conjugated system improves energy absorption efficiency, providing insights for designing novel sunscreen compounds.

JOURNAL OF MOLECULAR LIQUIDS (2021)

Article Chemistry, Physical

Photoisomerization-mechanism-associated excited-state hydrogen transfer in 2′-hydroxychalcone revealed by on-the-fly trajectory surface-hopping molecular dynamics simulation

Ying Hu et al.

Summary: By performing global-switching on-the-fly trajectory surface-hopping molecular dynamics simulation at the OM2/MRCI quantum level, the study probed the S-3(pi pi*) photoisomerization mechanisms associated with excited-state intramolecular hydrogen transfer for 2'-hydroxychalcone (2HC). The simulation found that the quantum yields of cis-to-trans and trans-to-cis photoisomerization were low due to the conical intersections being localized in either the cis-2HC or trans-2HC region, suggesting potential strategies to enhance the quantum yield of 2HC photoisomerization by suppressing hydrogen transfer and shifting conical intersections.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)

Review Chemistry, Multidisciplinary

Chalcone synthesis, properties and medicinal applications: a review

Aluru Rammohan et al.

ENVIRONMENTAL CHEMISTRY LETTERS (2020)

Article Chemistry, Physical

Insights into the photoprotection mechanism of the UV filter homosalate

Emily L. Holt et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

Article Chemistry, Physical

Femtosecond electronic relaxation and real-time vibrational dynamics in 2′-hydroxychalcone

Yoshihiro Yamakita et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)

Article Chemistry, Physical

Ultrafast Barrierless Photoisomerization and Strong Ultraviolet Absorption of Photoproducts in Plant Sunscreens

Jian Luo et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)

Article Chemistry, Physical

Excited state proton transfer in 2′-hydroxychalcone derivatives

Michael Dommett et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)

Article Chemistry, Physical

A Perspective on the Ultrafast Photochemistry of Solution-Phase Sunscreen Molecules

Lewis A. Baker et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)

Article Chemistry, Physical

A new insight into the photochemistry of avobenzone in gas phase and acetonitrile from ab initio calculations

Marko Kojic et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

Review Plant Sciences

Naturally occurring chalcones and their biological activities

Zsuzsanna Rozmer et al.

PHYTOCHEMISTRY REVIEWS (2016)

Article Chemistry, Physical

Probing the Ultrafast Energy Dissipation Mechanism of the Sunscreen Oxybenzone after UVA Irradiation

Lewis A. Baker et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)

Review Environmental Sciences

Advances in analytical methods and occurrence of organic UV-filters in the environment - A review

Sara Ramos et al.

SCIENCE OF THE TOTAL ENVIRONMENT (2015)

Review Dermatology

New insights in photoaging, UVA induced damage and skin types

Claire Battie et al.

EXPERIMENTAL DERMATOLOGY (2014)

Article Chemistry, Physical

Landscapes of Four-Enantiomer Conical Intersections for Photoisomerization of Stilbene: CASSCF Calculation

Yibo Lei et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2014)

Article Multidisciplinary Sciences

Ultraviolet radiation accelerates BRAF-driven melanomagenesis by targeting TP53

Amaya Viros et al.

NATURE (2014)

Review Chemistry, Multidisciplinary

Hydrogen Bonding in the Electronic Excited State

Guang-Jiu Zhao et al.

ACCOUNTS OF CHEMICAL RESEARCH (2012)

Article Chemistry, Multidisciplinary

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

Article Chemistry, Physical

Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections

Jeng-Da Chai et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)

Review Chemistry, Physical

Time-dependent density functional theory: Past, present, and future

K Burke et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

T Yanai et al.

CHEMICAL PHYSICS LETTERS (2004)