scholarly journals Absorption, fluorescence, Raman spectroscopic and density functional theoretical studies on the singlet and triplet excited state decay of 3-amino-5-mercapto-1,2,4-triazole

RSC Advances ◽  
2020 ◽  
Vol 10 (23) ◽  
pp. 13442-13450
Author(s):  
Aimin Duan ◽  
Suosuo An ◽  
Jiadan Xue ◽  
Xuming Zheng ◽  
Yanying Zhao
Keyword(s):  
Biological Sciences ◽  
Excited State ◽  
Heterocyclic Compounds ◽  
Density Functional ◽  
Decay Process ◽  
Theoretical Studies ◽  
Triplet Excited State ◽  
Raman Spectroscopic ◽  
State Decay

The excited state decay process of N-heterocyclic compounds is attracting increasing attention due to their fundamental applications in pharmaceutical and biological sciences.

scholarly journals Photosensitization Mechanisms of Triplet Excited State β-Lapachone. A Density Functional Theory Study

2011 ◽  
Vol 6 (11) ◽  
pp. 1934578X1100601
Author(s):  
Liang Shen
Keyword(s):  
Reactive Oxygen Species ◽  
Density Functional Theory ◽  
Excited State ◽  
Density Functional ◽  
Oxygen Species ◽  
Density Functional Theory Study ◽  
Triplet Excited State ◽  
Mechanistic Studies ◽  
Pharmacological Activities ◽  
Functional Theory

β-Lapachone is a natural product with multiple pharmacological activities and mechanistic studies indicated that reactive oxygen species (ROS) generated by β-lapachone play significant roles in its pharmacological actions. As photosensitization is an important ROS-generating pathway, in the present work, the photosensitization mechanisms of β-lapachone are explored on the basis of density functional theory estimated triplet excited state characters. Starting from triplet excited state β-lapachone, the possible generating pathways of 1O2 and O2·– are elucidated and the solvent effects on the photosensitizing reactions are also discussed.

Triphenylpyrazine: methyl substitution to achieve deep blue AIE emitters

2019 ◽  
Vol 7 (42) ◽  
pp. 13047-13051 ◽  
Author(s):  
Haozhong Wu ◽  
Jiajie Zeng ◽  
Zeng Xu ◽  
Bing Zhang ◽  
Han Zhang ◽  
...  
Keyword(s):  
Excited State ◽  
Phenyl Group ◽  
Decay Process ◽  
Methyl Group ◽  
Methyl Substitution ◽  
State Decay ◽  
Deep Blue

Based on our deep comprehension of the unique excited state decay process of tetraphenylpyrazine derivatives, triphenylpyrazine-3-carbazole (TrPP-3C) was designed by replacing the phenyl group with a methyl group at the 3-position of pyrazine.

scholarly journals Rotational Coherence Spectroscopy and Excited-State Dynamics of Tolane and its Van Der Waals Complexes with Argon and Nitrogen

1994 ◽  
Vol 14 (1-3) ◽  
pp. 45-59 ◽  
Author(s):  
Shane M. Ohline ◽  
Joann Romascan ◽  
Peter M. Felker
Keyword(s):  
Excited State ◽  
Van Der Waals ◽  
Decay Process ◽  
Van Der Waals Complexes ◽  
Planar Geometry ◽  
Small Species ◽  
Excited State Dynamics ◽  
State Decay ◽  
Coherence Spectroscopy ◽  
Vibronic States

We report the results of rotational coherence spectroscopy on tolane, tolane–Ar, and tolane–N2. The results on tolane are consistent with a planar geometry for the species. They also provide information about the symmetries of excited vibronic states in the species. The results on the van der Waals complexes provide significant experimental constraints on where the small species bind to tolane. In addition, we report the observation of a rapid excited-state decay process in the complexes and discuss the possible nature of this process.

scholarly journals Triplet Stabilization for the Enhanced Drug Photorelease from Sunscreen-Based Photocages

2020 ◽  
Author(s):  
Mauricio Lineros-Rosa ◽  
Maria Consuelo Cuquerella ◽  
Antonio Francés-Monerris ◽  
Antonio Monari ◽  
Miguel Angél Miranda ◽  
...  
Keyword(s):  
Excited State ◽  
Excited States ◽  
Ethanol Solution ◽  
Theoretical Studies ◽  
Triplet Excited State ◽  
Triggered Release ◽  
Inflammatory Drug ◽  
Photophysical Processes ◽  
Experimental And Theoretical Studies ◽  
Energy Acceptor

<p>Recently, sunscreen-based drug photocages have been introduced to provide UV protection to photoactive drugs, thus increasing their photosafety. Here, combined experimental and theoretical studies performed on a photocage based on the commercial UVA filter avobenzone (AB) and on the photosensitizing non-steroidal anti-inflammatory drug ketoprofen (KP) are presented unveiling the photophysical processes responsible for the light-triggered release. Particular attention is paid to solvent stabilization of the drug and UV filter excited states, respectively, which leads to a switching between the triplet excited state energies of the AB and KP units. Most notably, <a>we show that the stabilization of the AB triplet excited state in ethanol solution is the key requirement for an efficient photouncaging. By contrast, in apolar solvents, in particular hexane, KP has the lowest triplet excited state, hence acting as an energy acceptor quench</a>ing the AB triplet manifold, thus inhibiting the desired photoreaction.</p>

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