Journal of Photochemistry and Photobiology A-chemistry最新文献

{"title":"Interplay of solvent polarity and hydrogen bonding in thermal isomerization of spiropyran","authors":"Smaranika Behera ,&nbsp;Rasmita Haldar ,&nbsp;Sonalin Senapati ,&nbsp;Adeeba Khan ,&nbsp;Bibhab Bandhu Majumdar ,&nbsp;Suranjan De ,&nbsp;Sandeepan Maity","doi":"10.1016/j.jphotochem.2025.116727","DOIUrl":"10.1016/j.jphotochem.2025.116727","url":null,"abstract":"<div><div>Spiropyran is a versatile photochromic molecule in the area of photo-responsive materials. Along with photochromism, the isomerization of spiropyran can be controlled by solvents, acid-base, metal ions <em>etc.</em> Often photo-induced generation of ‘merocyanine (MC)’ isomer leads to thermal relaxation to thermodynamically more stable isomer ‘spiropyran (SP)’. The current study aims to decipher the critical role of solvent polarity and hydrogen bonding ability on the isomerization of spiropyran systems. UV–visible spectroscopic study, Solvation energy calculations and kinetic measurements unequivocally indicated that presence of hydrogen bond donors play a key role in stabilizing ‘MC’ isomer of spiropyrans. This finding was leveraged through demonstrating a general strategy to decelerate the thermal isomerization of ‘MC’ to ‘SP’ in the presence of a series of hydrogen bond donors.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"472 ","pages":"Article 116727"},"PeriodicalIF":4.7,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145118790","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Spectrofluorimetric cetirizine analysis using erythrosin B static quenching with mechanistic studies, central composite design optimization, and green chemistry evaluation","authors":"Taha Alqahtani ,&nbsp;Ali Alqahtani ,&nbsp;Ahmed A. Almrasy","doi":"10.1016/j.jphotochem.2025.116733","DOIUrl":"10.1016/j.jphotochem.2025.116733","url":null,"abstract":"<div><div>A novel, sensitive, and environmentally sustainable fluorescence quenching method was developed for cetirizine determination using erythrosin B as the fluorescent probe. The method exploits static quenching through ground-state complex formation between the protonated piperazine nitrogen of cetirizine and the anionic carboxylate groups of erythrosin B. Comprehensive mechanistic investigations using Stern-Volmer analysis revealed temperature-dependent quenching constants (6.16 × 10⁵ to 4.71 × 10⁵ M⁻¹ at 298–313 K), confirming static quenching. Job's method demonstrated 1:1 stoichiometric binding, while thermodynamic studies yielded ΔH = −13.84 kJ mol⁻¹, ΔS = 64.40 J mol⁻¹ K⁻¹, and negative ΔG values, indicating spontaneous exothermic binding. Central composite design optimization established optimal conditions: pH 5.0, erythrosin B concentration 13 μg/mL, and 3-min reaction time. The method exhibited excellent analytical performance with linear range 0.05–4.0 μg/mL (r² = 0.9999), detection limit 0.015 μg/mL, and precision &lt;2 % RSD. Comprehensive validation following ICH Q2(R2) guidelines demonstrated accuracy (98.92 ± 1.26 % recovery) and selectivity against common interferents. The method was successfully applied to pharmaceutical formulations and human plasma samples with statistical equivalence to reference HPLC methods. Environmental assessment using AGREE (0.77), MOGAPI (80 %), BAGI (77.5), and RGB12 (91.2 %) metrics confirmed superior sustainability compared to conventional chromatographic approaches. The rapid, cost-effective method offers significant advantages including elimination of organic solvents, room temperature operation, and minimal sample preparation, positioning it as an environmentally friendly alternative for routine cetirizine analysis in pharmaceutical quality control and bioanalytical applications.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"471 ","pages":"Article 116733"},"PeriodicalIF":4.7,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144933046","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A novel spectrofluorimetric method for sensitive detection of homovanillic acid based on Zn-assisted N-CQDs fluorescence quenching: application in depression biomarker analysis","authors":"Ahmed Serag ,&nbsp;Majed A. Algarni ,&nbsp;Ayman A. Abd Al Maksoud ,&nbsp;Fahad T. Alsulami ,&nbsp;Eid Semer Alatwi ,&nbsp;Saleh I. Alaqel ,&nbsp;Ahmed Mohammed Aljameeli ,&nbsp;Atiah H. Almalki","doi":"10.1016/j.jphotochem.2025.116730","DOIUrl":"10.1016/j.jphotochem.2025.116730","url":null,"abstract":"<div><div>This study presents a novel spectrofluorimetric method for homovanillic acid (HVA) detection based on the fluorescence quenching of zinc-assisted nitrogen-doped carbon quantum dots (Zn:N-CQDs). The synthesized Zn:N-CQDs exhibited strong blue fluorescence (λ_em = 453 nm) with a large Stokes shift (∼104 nm), confirmed through multiple comprehensive characterization approaches. Upon interaction with HVA, a significant reduction in the fluorescence intensity of Zn:N-CQDs was observed, enabling highly sensitive quantification. Stern-Volmer analysis at multiple temperatures revealed that the fluorescence quenching of Zn:N-CQDs by HVA occurs through a static quenching mechanism, involving the formation of a ground-state complex. This was supported by the determined thermodynamic parameters, including a negative Gibbs free energy, negative enthalpy, and positive entropy changes, indicating the interaction is spontaneous and exothermic in nature. Central composite design optimized key parameters (pH 7.5, Zn volume 785 μL, 5-min incubation), yielding a method with excellent linearity (2.0–300.0 ng/mL, r² = 0.9992), sensitivity (LOD = 0.6254 ng/mL), selectivity against common interferents, and robust performance meeting ICH M10 validation criteria. Clinical application demonstrated significantly lower plasma HVA in depressed patients versus healthy controls (4.58 ± 1.03 vs. 16.15 ± 3.27 ng/mL, <em>p</em> &lt; 0.0001), with high discrimination by ROC analysis (AUC = 1.0). This sensitive, straightforward method offers advantages over chromatographic techniques for clinical implementation, providing an objective biochemical assessment for depression and supporting the monoamine hypothesis through quantifiable dopamine metabolite measurements.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"471 ","pages":"Article 116730"},"PeriodicalIF":4.7,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144922622","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Halogen-modulated tautomerism towards reversable tunable photoswitching in N-(3,5-di-tert-butylsalicylidene)-4-halobenzenes: Insights from DFT and TD-DFT","authors":"Abdulraheem K. Bello ,&nbsp;Nur Allif Fathurrahman ,&nbsp;Abdul Malik P. Peedikakkal ,&nbsp;Abdulaziz A. Al-Saadi","doi":"10.1016/j.jphotochem.2025.116735","DOIUrl":"10.1016/j.jphotochem.2025.116735","url":null,"abstract":"<div><div>Despite substantial experimental work on halogenated salicylideneaniline systems, a deeper theoretical understanding of their structure–property relationships remains an active area of research. This study presents a first-principles investigation of the structural stability, nonlinear optical properties, and ultraviolet absorption characteristics of halogen-substituted salicylideneaniline derivatives, namely N-(3,5-di-tert-butylsalicylidene)-4-halobenzenes. Our results reveal that the enol and cis-keto forms exhibit stronger intramolecular hydrogen bonding than the trans-keto forms, contributing to enhanced stability and nonlinear optical response. The pronounced π-conjugation in these compounds facilitates efficient ultraviolet light absorption and promotes photoswitching between enol and cis-keto forms. Notably, the cis-keto forms of Br- and I-substituted analogs exhibit nonlinear optical responses 2–3 times greater than the parent compound, corroborated by red-shifted TD-DFT-predicted absorption spectra. Dihedral angle analysis offers further insight into the photo-induced nonlinear optical response in the UV–Vis region. While the enol forms exhibit inherent photochromic properties, the cis-keto forms of the bulkier halogen-substituted salicylideneaniline derivatives display intrinsic thermochromic behavior. Moreover, the compounds exhibit reversible photoswitching behavior depending on tautomeric configurations.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"471 ","pages":"Article 116735"},"PeriodicalIF":4.7,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144908127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring novel xanthenes as targeted photosensitizers: Substituent design, pH modulation, and membrane affinity for enhanced photodynamic therapy","authors":"Mateus Zanotto,&nbsp;Anderson O. Ribeiro,&nbsp;Paula Homem-de-Mello","doi":"10.1016/j.jphotochem.2025.116726","DOIUrl":"10.1016/j.jphotochem.2025.116726","url":null,"abstract":"<div><div>This study introduces four novel xanthenes, computationally designed as selective probes and photosensitizing agents for cancer cell uptake. pKa analyses revealed that monoanionic species dominate at pH 6.0, increasing membrane affinity in acidic environments. DFT and DLPNO-CCSD calculations, as well as molecular dynamics simulations, were performed for the four compounds (XA2, XA4, XA6, and XABr) in their mono and dianionic forms. Key findings emphasize the importance of substituent design in balancing charge and flexibility, aiming to enhance intersystem crossing (ISC) efficiency for advanced photosensitizers. Notably, natural transition orbital (NTO) analysis revealed XA6's pronounced charge-separated states. XABr⁻² and XA2⁻¹ also exhibited similar, albeit less prominent, charge separation. XABr⁻² xanthene-localized donor orbitals complement delocalized acceptor orbitals, while XA6⁻² acceptor orbitals align with substituents. Spin-Orbit Coupling Matrix Elements (SOCME) show a higher coupling, thus higher ISC, for the monoionic than dianionic XA2, XA4, and XA6. Moreover, molecular dynamics simulations revealed substituent-dependent interactions with membranes, highlighting the superior uptake of monoanions due to their reduced charge. XA4 flexible substituents exhibited unexpected dianion-membrane interactions. Specifically, brominated helicene (XABr) and extended aromatic systems (XA6), which were localized near oxidation-prone double bonds, a primary target in photodynamic therapy.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"471 ","pages":"Article 116726"},"PeriodicalIF":4.7,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144913589","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fabrication of 2D-Nd-doped CdSe thin films with good selectivity, stability, and humidity-independent ammonia gas sensing properties","authors":"I. Loyola Poul Raj ,&nbsp;A. Anto Jeffery ,&nbsp;R. Marnadu ,&nbsp;Farhat S. Khan ,&nbsp;Mohd Taukeer Khan ,&nbsp;Sambasivam Sangaraju ,&nbsp;Mohd. Shkir","doi":"10.1016/j.jphotochem.2025.116716","DOIUrl":"10.1016/j.jphotochem.2025.116716","url":null,"abstract":"<div><div>The rapid growth of industrial activity and global population has led to increased the emissions of hazardous gases such as C₂H₆O, C₄H₁₀O, NH₃, H₂S, NO₂, and CO₂. Among these, ammonia (NH₃) poses serious environmental and health risks, becoming harmful at concentrations above 50 ppm. Hence, the development of room-temperature ammonia sensors with high sensitivity, selectivity, and low detection limits is crucial. Addressing this issue, we aimed to produce hexagonal phase of Neodymium (Nd) doped Cadmium Selenide (CdSe) thin films by varying Nd content at 0, 1, 2, 3, 4 and 5 wt% using a quick and affordable nebulizer spray method at an optimized temperature of 450 °C (±5). Nano CdSe films with and without Nd doping represent a polycrystalline nature and crystallized into a dominant hexagonal lattice. Morphological analysis revealed uniform, compact, void-free films with spherical structures, while 3 wt% Nd doping induced rice-like morphology with increased grain size, thereby enhancing gas sensing properties. Ultraviolet-visible-near infra-red (UV–Vis–NIR) analysis showed a redshift in absorption and improved photon absorption at 3 wt% Nd, with the band gap decreasing from 2.55 to 1.99 eV. Photoluminescence (PL) spectra confirmed emission peaks at 520  and 675 nm, with intensity increasing upon Nd doping. Gas sensing performance, evaluated using a current-sensitive system, demonstrated that the 3 wt% Nd-doped CdSe exhibited the best gas response of 178 to 250 ppm NH₃ at room temperature with a 7.5 s response time and 5 ppb low detection limit. This sensor also showed good selectivity, stability, and humidity-independent behavior, making it a strong candidate for efficient ammonia detection.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"471 ","pages":"Article 116716"},"PeriodicalIF":4.7,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144917956","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A highly accurate fluorescence thermometer based on fluorescence intensity ratio (FIR) technique for photothermal therapy","authors":"Qian Gao ,&nbsp;Ping Zhang ,&nbsp;Xufang Wang ,&nbsp;Xianglong Xiao ,&nbsp;Lihui Huang ,&nbsp;Shiqing Xu ,&nbsp;Shilong Zhao ,&nbsp;Xiuli Wang","doi":"10.1016/j.jphotochem.2025.116712","DOIUrl":"10.1016/j.jphotochem.2025.116712","url":null,"abstract":"<div><div>A highly accurate fluorescence thermometer based on FIR technique was developed for the timely temperature detection in the photothermal therapy (PTT). The strong thermally-coupled green upconversion luminescence in Ca_0.5La(MoO₄)₂: Er³⁺/Yb³⁺ phosphors was well-resolved and no-overlapped, which was advantageous to achieve the precise temperature calibration. The temperature accuracy was evaluated by multiple parallel measurements and a small absolute temperature error of −0.3 K to 0.2 K were achieved in the newly-developed fluorescence thermometer. Moreover, good photothermal conversion efficiency and stability under 808 nm laser irradiation indicate that Ca_0.5La(MoO₄)₂:Nd³⁺ phosphors can be used for the clinical photothermal therapy. A dual-function prototype was demonstrated, which can achieve real-time temperature monitoring during photothermal therapy.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"471 ","pages":"Article 116712"},"PeriodicalIF":4.7,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144908245","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel oxo‑titanium(IV) phthalocyanine based sensitizers for high-performance DSSCs: enhanced photovoltaic properties via combined-sensitization with YD2","authors":"Ömürcan Öztürk ,&nbsp;Nuray Arslan ,&nbsp;Şeyma Nur Süerkan ,&nbsp;Argun Talat Gökçeören ,&nbsp;Soner Çakar ,&nbsp;Altuğ Mert Sevim ,&nbsp;Ahmet Gül ,&nbsp;Mahmut Özacar","doi":"10.1016/j.jphotochem.2025.116722","DOIUrl":"10.1016/j.jphotochem.2025.116722","url":null,"abstract":"<div><div>High conversion and sunlight radiation absorption range are required for a suitable and efficient dye-sensitized solar cell (DSSC). These requirements are met by including a “dye cocktail” that is made up of new oxo‑titanium(IV) phthalocyanines and a porphyrin. The use of Ti(IV) as the phthalocyanine central metal allows to introduce robustly attached axial oxo ligand that prevent aggregation of the macrocycles. Novel two unsymmetrical push-pull oxo‑titanium phthalocyanines (<strong>TiOPc1</strong> and <strong>TiOPc2</strong>) bearing bulky <em>tert</em>-butylphenyloxy moieties as electron donor and two different carboxylic acids as anchoring group have been designed and synthesized. The UV–Vis range is widened by preparing a cocktail with two oxo‑titanium(IV) phthalocyanine dyes and a porphyrin known as YD2. The characterization steps involving the phthalocyanines and the porphyrin consist of UV–Vis, FTIR, ¹H NMR, MALDI-TOF, electrochemistry (CV, SWV, EIS, IPCE), and TD-DFT. We have prepared different YD2:<strong>TiOPc1–2</strong> dye mixtures at various molar ratios. The most successful DSSC devices were made up of YD2 + <strong>TiOPc1</strong> (3:1) with 11.18 % and YD2 + <strong>TiOPc2</strong> (3:1) with 12.28 % performances. They are greater than the single N719 dye with 8.87 % and YD2 alone with 7.96 %, which is attributed to the panchromatic effect. The detailed optical and electrochemical properties were investigated and complimented with theoretical studies (DFT). As we obtained high efficiency values, the new cocktail dyes let us expect good alternatives to the already used ruthenium-based complexes in DSSCs and potential alternative dyes are produced thereof.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"471 ","pages":"Article 116722"},"PeriodicalIF":4.7,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144908247","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and photophysical properties of an indirubin-derived organoboron complex","authors":"Le Chang,&nbsp;Xinyue Yu,&nbsp;Guifang Xie,&nbsp;Wenwen Zhao,&nbsp;Lizhi Gai,&nbsp;Hua Lu","doi":"10.1016/j.jphotochem.2025.116723","DOIUrl":"10.1016/j.jphotochem.2025.116723","url":null,"abstract":"<div><div>Owing to their tunable optical properties and structural adaptability, organoboron dyes have emerged as versatile platforms for photonic and biomedical applications. In this study, the rational design and synthesis of a novel indirubin-derived organoboron complex were achieved via a facile two-step strategy that leverages the inherent bidentate coordination capability of indirubin under basic conditions. Photophysical analysis revealed that the complex exhibited red-shifted absorption and fluorescence quenching upon BF₂ incorporation, with DFT and TD-DFT calculations indicating enhanced intramolecular charge transfer and reduced HOMO–LUMO energy gaps. The indirubin-derived organoboron complex can produce a small amount of singlet oxygen and a large amount of photothermal conversion under laser irradiation. The photothermal-dominated behavior of this indirubin-derived organoboron under 525 nm irradiation suggests that it is a promising candidate for epidermal phototherapy and photodiagnostic applications.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"471 ","pages":"Article 116723"},"PeriodicalIF":4.7,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144913612","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel quinazoline-ferrocene photosensitizer: in silico studies, photochemical characterization, ROS generation, and in vitro phototoxicity","authors":"Diego I. Figueroa-Figueroa ,&nbsp;Angélica Lechuga-Millán ,&nbsp;Rafael Vargas-Castro ,&nbsp;Eva Ramon-Gallegos ,&nbsp;Rocío García-Becerra ,&nbsp;Francisco Hernández-Luis","doi":"10.1016/j.jphotochem.2025.116725","DOIUrl":"10.1016/j.jphotochem.2025.116725","url":null,"abstract":"<div><div>To develop dual-action agents for targeted cancer therapy, this study investigates a novel quinazoline-ferrocene photosensitizer (<strong>QFc</strong>) designed to combine photodynamic therapy (PDT) efficacy with potential interaction with the human epidermal growth factor receptor tyrosine kinase domain (EGFR-TKD). We report herein the photophysical, photochemical, electrochemical, and in vitro photocytotoxic properties of <strong>QFc</strong>. The newly designed <strong>QFc</strong> generated reactive oxygen species (ROS) when it was excited by a 460 nm LED light, as seen by its absorption spectra. The nitroblue tetrazolium (NBT) assay demonstrated that <strong>QFc</strong> generates superoxide anion radical (SA) upon photoexcitation, while the methylene blue bleaching test confirmed the subsequent production of hydroxyl radicals. Electrochemical studies confirmed that the ferrocene moiety in <strong>QFc</strong> is a redox-active center whose potential is modulated by the quinazoline substituent, providing direct support for the proposed photoredox mechanism. In contrast to its activity in the dark, <strong>QFc</strong> demonstrated significant phototoxic effects against human breast (SUM229PE) and lung (HCC827) cancer cell lines upon light exposure (75 J/cm²), while exhibiting up to 600-fold greater selectivity for cancer cells over normal fibroblasts (BJ) under similar conditions. Additionally, molecular docking and dynamics simulations suggest that <strong>QFc</strong> can bind to the active site of the EGFR-TKD. Overall, this study deepens our knowledge of <strong>QFc</strong> characteristics, establishing its feasibility for further development in cancer PDT.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"471 ","pages":"Article 116725"},"PeriodicalIF":4.7,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144908105","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}