Red-emission, photobiological properties and antimicrobial photodynamic assays using mono-substituted corroles contain carboxylic acid and ester units

•Photophysical properties of meso-trans-A2B-type corroles containing COOH or COOMe units.•TD-DFT calculation analysis were conducted to better understand the corrole molecular structures.•Corrole COOH derivatives presents good photoactive with antibiotic association. The mono-substituted corrole der...

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Published in:Journal of molecular structure 2024-12, Vol.1318, p.139150, Article 139150
Main Authors: Oliveira, Morgana Maciél, Dantas, Gabrielle Aguiar, Costa, Luiz Antônio Sodré, Santos, Roberto Christ Vianna, Iglesias, Bernardo Almeida
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Language:English
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aPDT
Corroles, Photophysics
Microbiology
Photobiology
TD-DFT
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container_title Journal of molecular structure
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creator Oliveira, Morgana Maciél
Dantas, Gabrielle Aguiar
Costa, Luiz Antônio Sodré
Santos, Roberto Christ Vianna
Iglesias, Bernardo Almeida
description •Photophysical properties of meso-trans-A2B-type corroles containing COOH or COOMe units.•TD-DFT calculation analysis were conducted to better understand the corrole molecular structures.•Corrole COOH derivatives presents good photoactive with antibiotic association. The mono-substituted corrole derivatives COOH-Cor and COOMe-Cor were obtained by Gryko methodology and characterized by microanaysis. In addition, we investigated experimental photophysical properties (absorption, emission by steady-state and time-resolved fluorescence) in some solvents and TDDFT calculations. Photobiological parameters such as aggregation, photostability and reactive oxygen species generation (ROS) was conducted. In addition, we also evaluated the preliminary antimicrobial photodynamic assays (aPDT) between studied corroles and bacteria strains, by white-light conditions. [Display omitted]
doi_str_mv 10.1016/j.molstruc.2024.139150
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subjects aPDT
Corroles, Photophysics
Microbiology
Photobiology
TD-DFT
title Red-emission, photobiological properties and antimicrobial photodynamic assays using mono-substituted corroles contain carboxylic acid and ester units
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