Light-Ultrasound Synergy for Single Oxygen Production by a Novel Magnesium Phthalocyanine-Based Sono-Photosensitizer: Experimental and DFT Calculations
Journal of Molecular Structure, cilt.1378, 2026 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 1378
- Basım Tarihi: 2026
- Doi Numarası: 10.1016/j.molstruc.2026.147293
- Dergi Adı: Journal of Molecular Structure
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Chemical Abstracts Core, Chimica, Compendex, INSPEC, Academic Search Ultimate (EBSCO), Engineering Source (EBSCO)
- Anahtar Kelimeler: Density Functional Theory, Imaging agent, Phthalocyanine, Sensitizer, Singlet Oxygen
- Yıldız Teknik Üniversitesi Adresli: Evet
Özet
Cancer is one of the primary challenges of modern society; therefore, it is desirable to identify new chemicals that can serve as potential treatments and/or imaging agents. In recent years, light and ultrasonic effects have been used to trigger singlet oxygen generation by sensitizers for cancer therapy. In this study, synthesis, characterization, and sensitizer efficiency of a novel peripherally substituted 4-(quinolin-2-ylthio) phthalocyanine with Mg metal (4) have been investigated. Characterizations of the compound have been performed with UV-VIS, FT-IR, MALDI-TOF MS, 1H NMR, and quantum chemical methods. The photochemical, photophysical, and sono-photochemical efficiency of magnesium (II) phthalocyanine (4) has been determined and presented. Density Functional Theory and Time Dependent-Density Functional Theory have been used to assess the substituent, solvent medium, and metal effect on the expected sono- photosensitizer efficiency. The singlet oxygen yield has been determined utilizing photochemical and sono-photochemical methods. The findings indicate that in the sono-photochemical investigation, the singlet oxygen quantum yield in DMSO and DMF exhibited an increase compared to the photodynamic study. Furthermore, according to fluorescence studies conducted, 4 has potential as an imaging agent. Both experimental and theoretical results underscore the significance of the metal within the phthalocyanine core and the substituent attached to its ring, as well as highlight the excitation method as a critically important factor.