Theoretical Understanding of Photoluminescence and Singlet Oxygen Quantum Yields in a Few Halogenated Fluorescein Dyes DOI Open Access
Annette Mariya Tedy, Arun K. Manna

Chemistry - An Asian Journal, Год журнала: 2024, Номер unknown

Опубликована: Дек. 30, 2024

Abstract Visible‐light absorbing metal‐free organic dyes are of increasing demand for various optoelectronic applications because their great structure‐function tunability through chemical means. Several also show huge potential in triplet photosensitization, generating reactive singlet oxygen. Understanding the structure‐property relationships many well‐known fluorescein is paramount importance designing next‐generation energy efficient dyes, which currently limited. For example, role heavy atoms excited‐state deactivations not fully understood these dyes. Herein, 9 halogenated (Cl, Br, I) with varied halogen concentrations and positions studied using time‐dependent range‐separated hybrid combined polarizable continuum model water dielectric accounting polarization screening effects. Excited state energies via radiative non‐radiative pathways well described 0–0 corrected excitation energies. Calculated results reasonable agreement available experimental data. However, no systematic correlation found between heavy‐atom effect calculated intersystem crossing/fluorescence rates. Not surprisingly, to be more pronounced iodinated compared brominated analogues. Halogen position plays a critical determining deactivation All similar fluorescence rates ~10 8 . Whereas, crossing much smaller vary from 2 10 4 Nevertheless, lower quantum yields some attributed large internal conversion. Microscopic understanding on properties several reported here will aid developing advanced dye based photosensitizers emitters.

Язык: Английский

Anticancer profile of coumarin 6-based Ir(iii) photocatalysts under normoxia and hypoxia by ROS generation and NADH oxidation DOI
Ashish Kumar Yadav, Aarti Upadhyay, Arpan Bera

и другие.

Inorganic Chemistry Frontiers, Год журнала: 2024, Номер 11(17), С. 5435 - 5448

Опубликована: Янв. 1, 2024

Coumarin 6 appended Ir( iii ) photocatalysts exhibited light activated anticancer effects against cancer cells via mitochondrial depolarization driven apoptosis by inducing type-I (NADH oxidation) and type-II (ROS generation) mechanisms.

Язык: Английский

Процитировано

11

Expanding the Horizons of Phototherapy: A Review on the Superior Performance of Chalcogen‐Based Photosensitizers and Photothermal Agents for Cancer Therapy DOI Creative Commons
Subhrakant Jena,

Pranay Mohanty,

L. K. Dash

и другие.

ChemPhotoChem, Год журнала: 2025, Номер unknown

Опубликована: Апрель 10, 2025

Phototherapy, encompassing photodynamic therapy (PDT) and photothermal (PTT), presents a promising cancer treatment strategy with high spatial specificity minimal invasiveness. Optimizing these techniques hinges on the design of high‐performance photosensitizers (PSs) agents (PTAs). Single‐atom chalcogen substitution, at both endocyclic exocyclic positions in conventional organic chromophores, has proven to be novel for enhancing their photophysical photochemical properties. Ideal PSs/PTAs exhibit biocompatibility, visible‐to‐near‐infrared (vis–NIR) absorption, efficient triplet state harvesting, feasible heat energy transfer efficiency. Moreover, chalcogen‐based show promise synergistic multimodal therapies, integrating imaging treatment. This review comprehensively examines recent advancements (within last five years) utilizing substitution robust PDT/PTT. It provides holistic perspective spectroscopic characterization computational analyses, singlet‐oxygen/triplet quantum yields, generation efficiency, vitro/in vivo biological evaluations chalcogen‐substituted PSs/PTAs. is anticipated that this will stimulate further research endeavors area.

Язык: Английский

Процитировано

1

Light–matter interaction at the nano- and molecular scale DOI
Kaifeng Wu, Chunfeng Zhang, Xinfeng Liu

и другие.

The Journal of Chemical Physics, Год журнала: 2025, Номер 162(14)

Опубликована: Апрель 8, 2025

Язык: Английский

Процитировано

0

Planar conjugate donor engineering enhanced photodynamic immunogenic cell death stimulator for efficient Triple-Negative breast cancer immunotherapy DOI
Ping Yan, Fahui Li,

S. Qin

и другие.

Journal of Colloid and Interface Science, Год журнала: 2025, Номер unknown, С. 138085 - 138085

Опубликована: Июнь 1, 2025

Язык: Английский

Процитировано

0

Theoretical Understanding of Photoluminescence and Singlet Oxygen Quantum Yields in a Few Halogenated Fluorescein Dyes DOI Open Access
Annette Mariya Tedy, Arun K. Manna

Chemistry - An Asian Journal, Год журнала: 2024, Номер unknown

Опубликована: Дек. 30, 2024

Abstract Visible‐light absorbing metal‐free organic dyes are of increasing demand for various optoelectronic applications because their great structure‐function tunability through chemical means. Several also show huge potential in triplet photosensitization, generating reactive singlet oxygen. Understanding the structure‐property relationships many well‐known fluorescein is paramount importance designing next‐generation energy efficient dyes, which currently limited. For example, role heavy atoms excited‐state deactivations not fully understood these dyes. Herein, 9 halogenated (Cl, Br, I) with varied halogen concentrations and positions studied using time‐dependent range‐separated hybrid combined polarizable continuum model water dielectric accounting polarization screening effects. Excited state energies via radiative non‐radiative pathways well described 0–0 corrected excitation energies. Calculated results reasonable agreement available experimental data. However, no systematic correlation found between heavy‐atom effect calculated intersystem crossing/fluorescence rates. Not surprisingly, to be more pronounced iodinated compared brominated analogues. Halogen position plays a critical determining deactivation All similar fluorescence rates ~10 8 . Whereas, crossing much smaller vary from 2 10 4 Nevertheless, lower quantum yields some attributed large internal conversion. Microscopic understanding on properties several reported here will aid developing advanced dye based photosensitizers emitters.

Язык: Английский

Процитировано

0