ArticleThe journal of physical chemistry. A2023
Tuning the Photophysical Properties of Ru(II) Photosensitizers for PDT by Protonation and Metallation: A DFT Study.
Article in The journal of physical chemistry. A, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed.
- Substituent and Heteroatom Electronegativity Effects on ESIPT, Fluorescence Properties, and Antioxidant Activity of 5,3'-Dihydroxy-7,4'-Dimethoxyflavone Derivatives.Journal of fluorescence · 2026Article
- Photophysical Properties of a Chiral Iridium-Based Photosensitizer as an Efficient Photodynamic Therapy Agent: A Theoretical Investigation.International journal of molecular sciences · 2025Article
- Investigation of Vibrational Cooling in a Photoexcited Dichloro-Ruthenium Charge Transfer Complex Using Transient Electronic Absorption Spectroscopy.The journal of physical chemistry. A · 2025Article
- Strategically engineered Au(I) complexes for orchestrated tumor eradication via chemo-phototherapy and induced immunogenic cell death.Nature communications · 2024Article
- Porphyrin photosensitizer molecules as effective medicine candidates for photodynamic therapy: electronic structure information aided design.RSC advances · 2024Article
- Computational Exploration of the Mechanism of Action of a Sorafenib-Containing Ruthenium Complex as an Anticancer Agent for Photoactivated Chemotherapy.Molecules (Basel, Switzerland) · 2024Article
- Unveiling the potential of photodynamic therapy with nanocarriers as a compelling therapeutic approach for skin cancer treatment: current explorations and insights.RSC advances · 2024Review
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Due to their activity, photosensitizers with the Ru(II)-polypyridyl complex structure represent an intriguing class of photodynamic therapy agents used to treat neoplasms. However, their solubility is poor, intensifying experimental research into improving this property. One recently proposed solution is to attach a polyamine macrocycle ring. In this paper, the density functional theory (DFT) and time-dependent DFT (TD-DFT) studies on such derivative were performed to assess the impact of the protonation-capable macrocycle and its ability to chelate transition state metals, as illustrated by the Cu(II) ion, on the expected photophysical activity. These properties were determined by examining ultraviolet-visible (UV-vis) spectra, intersystem conversion, and type I and II photoreactions of all species possibly present in a tumor cell. For comparison purposes the structure devoid of the macrocycle was also examined. The results show that the subsequent protonation of amine groups improves the reactivity, with [H
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Registered trials
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