Thiophene-containing photosensitizers are gaining recognition for their role in photodynamic therapy (PDT). However, the inherent reactivity of the thiophene moiety toward singlet oxygen threatens the stability and efficiency of these photosensitizers. This study presents a novel mathematical model capable of predicting the reactivity of thiophene toward singlet oxygen in PDT, using Conceptual Density Functional Theory (CDFT) and genetic programming. The research combines advanced computational methods, including various DFT techniques and symbolic regression, and is validated with experimental data. The findings underscore the capacity of the model to classify photosensitizers based on their photodynamic efficiency and safety, particularly noting that photosensitizers with a constant rate 1000 times lower than that of unmodified thiophene retain their photodynamic performance without substantial singlet oxygen quenching. Additionally, the research offers insights into the impact of electronic effects on thiophene reactivity. Finally, this study significantly advances thiophene-based photosensitizer design, paving the way for therapeutic agents that achieve a desirable balance between efficiency and safety in PDT.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10931787 | PMC |
| http://dx.doi.org/10.3390/ijms25052528 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
A dendritic drug-drug conjugate self-assembled hypoxia-responsive supramolecular nanoparticle for combination therapy.
J Mater Chem B
January 2025
Department of Gastrointestinal Surgery, Renji Hospital, Shanghai Jiao Tong University School of Medicine, Shanghai, 200127, China.
Hypoxia, a condition that enhances tumor invasiveness and metastasis, poses a significant challenge for diverse cancer therapies. There is a pressing demand for hypoxia-responsive nanoparticles with integrated photodynamic functions in order to address the aforementioned issues and overcome the reduced efficacy caused by tumor hypoxia. Here, we report a hypoxia-responsive supramolecular nanoparticle SN@IR806-CB consisting of a dendritic drug-drug conjugate (IR806-Azo-CB) and anionic water-soluble [2]biphenyl-extended-pillar[6]arene modified with eight ammonium salt ions (AWBpP6) the synergy of π-π stacking interaction, host-guest complexation, and hydrophobic interactions for synergistic photothermal therapy (PTT), photodynamic therapy (PDT), and chemotherapy (CT; , PTT-PDT-CT).
View Article and Find Full Text PDFKey role of persistent free radicals in soil for persulfate activation: impacts on benzo[]pyrene degradation.
Environ Sci Process Impacts
January 2025
Key Laboratory of Industrial Ecology and Environmental Engineering (Ministry of Education), School of Environmental Science and Technology, Dalian University of Technology, Dalian, 116024, China.
Environmentally persistent free radicals (EPFRs) have been widely detected in polycyclic aromatic hydrocarbon (PAH)-contaminated soils, but the activation of persulfate by inherent EPFRs in PAH-contaminated soil for the transformation of PAHs remains unclear. In the present study, benzo[]pyrene (B[]P) was selected as a representative PAH and its transformation in a persulfate/B[]P-contaminated soil system was studied without the addition of any other activator. Results indicated that EPFRs in the soil activated persulfate to produce reactive oxygen species (ROS) and degraded B[]P.
View Article and Find Full Text PDFEngineered Perfluorochemical Cancer-Derived Exosomes Loaded with Indocyanine Green and Camptothecin Provide Targeted Photochemotherapy for Effective Cancer Treatment.
Int J Nanomedicine
January 2025
Department of Biomedical Sciences and Engineering, National Central University, Taoyuan City, Taiwan, Republic of China.
Background: Cancer treatments are still limited by various challenges, such as off-target drug delivery, posttreatment inflammation, and the hypoxic conditions in the tumor microenvironment; thus, the development of effective therapeutics remains highly desirable. Exosomes are extracellular vesicles with a size of 30-200 nm that have been widely applied as drug carriers over the last decade. In this study, melanoma-derived exosomes were used to develop a perfluorocarbon (PFC) drug nanocarriers loaded with indocyanine green (ICG) and camptothecin (CPT) (ICFESs) for targeted cancer photochemotherapy.
View Article and Find Full Text PDFImpact of gold nanoparticle size and coating on radiosensitization and generation of reactive oxygen species in cancer therapy.
Nanoscale Adv
January 2025
Grupo de Física Nuclear, EMFTEL & IPARCOS, Universidad Complutense de Madrid Pl. de las Ciencias, 1, Moncloa-Aravaca Madrid Spain
Radiation therapy is a common cancer treatment but often damages surrounding healthy tissues, leading to unwanted side effects. Despite technological advancements aimed at improving targeting, minimizing exposure to normal cells remains a major challenge. High-Z nanoparticles, such as gold nanoparticles (AuNPs), are being explored as nano-radiosensitizers to enhance cancer treatment through physical, biological, and chemical mechanisms.
View Article and Find Full Text PDFAdaptable Blueprint for Non-metal Near-Infrared Organic Photocatalysts by Aromatic Sulfones.
ACS Appl Mater Interfaces
January 2025
Graduate School of Environmental Science, Hokkaido University, N10, W5, Sapporo 060-0810, Japan.
We present a versatile approach to designing and utilizing high-performance nonmetal near-infrared (NIR) organic photocatalysts based on aromatic sulfones. Current NIR photocatalysts are mainly metal complexes and inorganic materials, while the few reported nonmetal organic NIR photocatalysts primarily use photosensitization to produce active species such as singlet oxygen. Our sulfone-rosamine-based redox photocatalyst demonstrates exceptional capabilities, including high ability for metal-free photo-oxidative bromination, intrinsically oxygen-independent redox reactions, and remarkable photostability with a turnover number (TON) exceeding 2800.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!