ArticleMolecules (Basel, Switzerland)2022
Porphyrins and Metalloporphyrins Combined with N-Heterocyclic Carbene (NHC) Gold(I) Complexes for Photodynamic Therapy Application: What Is the Weight of the Heavy Atom Effect?
Article in Molecules (Basel, Switzerland), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed, 15 citations in OpenAlex.
- The Influence of the Central Metal (Zn) in the Porphyrin Skeleton on the Mechanism Induced by Photodynamic Therapy.Cancers · 2026Review
- Photophysical Properties of Free, Zinc‑, and Pyridine- Chlorin e6 Trimethyl Ester: A Computational Study with Vibrational Effects.ACS omega · 2026Article
- Preclinical translational screening of palladium(II)-porphyrin photosensitizers across human and Oncopig bladder cancer cell lines.Frontiers in oncology · 2026Article
- Nanoscale Porphyrin-Based Metal-Organic Frameworks for Enhanced Radiotherapy-Radiodynamic Therapy: A Comprehensive Review.Pharmaceutics · 2025Review
- Photophysical characterization of tetrahydroxyphenyl porphyrin Zn(II) and V(IV) complexes: experimental and DFT study.Biometals : an international journal on the role of metal ions in biology, biochemistry, and medicine · 2023Article
- Photodynamic Therapy: From the Basics to the Current Progress ofMolecules (Basel, Switzerland) · 2023Review
- Auranofin Targeting the NDM-1 Beta-Lactamase: Computational Insights into the Electronic Configuration and Quasi-Tetrahedral Coordination of Gold Ions.Pharmaceutics · 2023Article
- Synthesis, Photophysical Characterization and Evaluation of Biological Properties of C7, a Novel SymmetricMicroorganisms · 2023Article
- Photodynamic Inactivation of Microorganisms Using Semisynthetic ChlorophyllMolecules (Basel, Switzerland) · 2022Article
Corrections and comments
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Authors and funding
5 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The photophysical properties of two classes of porphyrins and metalloporphyrins linked to N-heterocyclic carbene (NHC) Au(I) complexes have been investigated by means of density functional theory and its time-dependent extension for their potential application in photodynamic therapy. For this purpose, the absorption spectra, the singlet-triplet energy gaps, and the spin-orbit coupling (SOC) constants have been determined. The obtained results show that all the studied compounds possess the appropriate properties to generate cytotoxic singlet molecular oxygen, and consequently, they can be employed as photosensitizers in photodynamic therapy. Nevertheless, on the basis of the computed SOCs and the analysis of the metal contribution to the involved molecular orbitals, a different influence in terms of the heavy atom effect in promoting the intersystem crossing process has been found as a function of the identity of the metal center and its position in the center of the porphyrin core or linked to the peripheral NHC.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.