Journal Article10.1016/J.JLUMIN.2021.118215
Excited state trans-cis photoisomerization via non-adiabatic dynamics of novel UVB protective sunscreens
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TL;DR: In this article, the authors verified that newly synthesized octyl urocanate compounds (U1 and U2) can significantly absorb UVB and confirmed their excellent light stability by combining the Proton Nuclear Magnetic Resonance (1HNMR) and Time-Dependent Density Functional Theory (TDDFT) calculation methods.
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About: This article is published in Journal of Luminescence. The article was published on 01 Oct 2021. The article focuses on the topics: Photoisomerization & Ultraviolet light.
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Citations
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Hydrogen Bonding in the Electronic Excited State
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TL;DR: The research expands the understanding of the nature of hydrogen bonding by delineating the interaction between hydrogen bonds and photons, thereby providing a basis for excited-state hydrogen bonding studies in photophysics, photochemistry, and photobiology.
New insights into the excited state intramolecular proton transfer (ESIPT) competition mechanism for different intramolecular hydrogen bonds of Kaempferol and Quercetin in solution
TL;DR: In this article , the process of the excited state Intramolecular Proton Transfer (ESIPT) competition of Kaempferol and Quercetin in methanol was studied by means of the density functional theory (DFT) and the time-dependent Density Functional Theory (TDDFT).
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Urocanic acid as a novel scaffold for next-gen nature-inspired sunscreens: I. Electronic laser spectroscopy under isolated conditions
NULL AUTHOR_ID,Alexander K. Lemmens,Hans J. Sanders,NULL AUTHOR_ID,NULL AUTHOR_ID,NULL AUTHOR_ID +5 more
TL;DR: Urocanic acid, a naturally occurring UV-absorbing compound, is reevaluated as a novel scaffold for next-gen sunscreens, leveraging its electronic properties and UV-absorbing capabilities under isolated conditions.
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New Azo Derivatives of Ethanol Lignin: Synthesis, Structure, and Photosensitive Properties
Valentina S. Borovkova,Yuriy N. Malyar,Natalia Yu. Vasilieva,Andrey M. Skripnikov,V. A. Ionin,Valentin V. Sychev,Viktor A. Golubkov,Oxana P. Taran +7 more
TL;DR: Water-soluble azo derivatives of lignin were synthesized by the azo coupling reaction using organosolv ethanol Lignin and diazonium salts based on sulfanilic acid and p-nitroaniline as mentioned in this paper .
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Tian Lu,Feiwu Chen +1 more
TL;DR: Five practical examples involving a wide variety of systems and analysis methods are given to illustrate the usefulness of Multiwfn, a multifunctional program for wavefunction analysis.
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Hydrogen bonding in the electronic excited state.
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•Journal Article
Hydrogen Bonding in the Electronic Excited State
Guangjiu Zhao,Ke-Li Han +1 more
TL;DR: The research expands the understanding of the nature of hydrogen bonding by delineating the interaction between hydrogen bonds and photons, thereby providing a basis for excited-state hydrogen bonding studies in photophysics, photochemistry, and photobiology.
Inhibitors of mammalian melanocyte tyrosinase: in vitro comparisons of alkyl esters of gentisic acid with other putative inhibitors
Ernest V. Curto,Cecil D. Kwong,Heino Hermersdörfer,Hansruedi Glatt,Chie Santis,Victoria M. Virador,Vincent J. Hearing,Thomas P. Dooley +7 more
TL;DR: The properties of MG in vitro, including pigmentation inhibition in melanocytes, tyrosinase inhibition and selectivity, reduced cytotoxicity relative to HQ, and lack of mutagenic potential in mammalian cells, establish MG as a superior candidate skin-lightening agent.
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Optimizing calculations of electronic excitations and relative hyperpolarizabilities of electrooptic chromophores.
TL;DR: A large variety of common methods for computing the properties of modern high-performance chromophores were surveyed and compared these results with prior experimental hyper-Rayleigh scattering (HRS) and absorbance data, suggesting composite methods could greatly improve the accuracy of calculations of β and λmax.
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