Using multi-spectroscopic techniques to evaluate photophysical, photobiological and bio-interactive properties of meso‑5,15-bis(substituted)porphyrins

IF 4 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Structure Pub Date : 2025-03-24 DOI:10.1016/j.molstruc.2025.142175

Rafaela C. Copello , Bruna M. Rodrigues , Henrique F.V. Victória , Klaus Krambrock , Otávio A. Chaves , Paulo C. Piquini , Bernardo A. Iglesias

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Abstract

The use of trans-substituted porphyrins with the most diverse substituents in the meso‑aryl positions of the macrocycle is reported. The photophysical behavior of these porphyrins were studied using multi-spectroscopic techniques, both in the ground and excited states, as well as theoretical calculations, e.g., natural transitions orbitals (NTOs) analysis). Photobiological data such as photostability, hydrophilicity (log P_OW), and ROS-producing (singlet oxygen and superoxide species) were also evaluated by classical analysis and electron paramagnetic resonance spectroscopy (EPR) spin trap assays. Finally, interactive profile with bovine serum albumin (BSA) and calf-thymus deoxynucleic acid (CT-DNA) was in vitro and in silico evaluated, revealing the ability of each meso‑5,15-porphyrin derivative to interact with these biomacromolecules.

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来源期刊

Journal of Molecular Structure 化学-物理化学

CiteScore

7.10

自引率

15.80%

发文量

2384

审稿时长

45 days

期刊介绍： The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including: • Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.) • Chemical intermediates • Molecules in excited states • Biological molecules • Polymers. The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example: • Infrared spectroscopy (mid, far, near) • Raman spectroscopy and non-linear Raman methods (CARS, etc.) • Electronic absorption spectroscopy • Optical rotatory dispersion and circular dichroism • Fluorescence and phosphorescence techniques • Electron spectroscopies (PES, XPS), EXAFS, etc. • Microwave spectroscopy • Electron diffraction • NMR and ESR spectroscopies • Mössbauer spectroscopy • X-ray crystallography • Charge Density Analyses • Computational Studies (supplementing experimental methods) We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.