Pub Date : 2025-12-27DOI: 10.1016/j.dyepig.2025.113531
Ya-Hui Zhou , Ru Yan , Kai Wang , Hong-Xia Xiang , Zhong-Yuan Cheng , Wei-Lai Jin
Acute lung injury (ALI) are serious respiratory disorders marked by compromised gas exchange, inflammation, and excessive extracellular matrix (ECM) deposition. Current imaging techniques remain limited for early detection and monitoring of these diseases. This study introduces HD-LACTB, a near-infrared fluorescent probe developed by conjugating a LACTB-targeting unit with a structurally optimized hemicyanine dye. This probe demonstrates high specificity, sensitivity, rapid response, and enhanced deep-tissue imaging performance compared to existing agents. It also enables mitochondrial-targeted intracellular imaging, allowing real-time visualization of LACTB dynamics during ALI progression and treatment. In cellular models, HD-LACTB detected LACTB expression levels with fluorescence intensity corresponding to disease severity. In murine models, it non-invasively tracked therapeutic efficacy, supporting its utility for evaluating interventions. HD-LACTB addresses a critical need in early diagnosis by providing a sensitive, non-invasive tool for real-time monitoring of disease progression and treatment response, thereby facilitating improved clinical decision-making and patient outcomes.
{"title":"A novel fluorescent probe for real-time in vivo imaging of LACTB activity in acute lung injury","authors":"Ya-Hui Zhou , Ru Yan , Kai Wang , Hong-Xia Xiang , Zhong-Yuan Cheng , Wei-Lai Jin","doi":"10.1016/j.dyepig.2025.113531","DOIUrl":"10.1016/j.dyepig.2025.113531","url":null,"abstract":"<div><div>Acute lung injury (ALI) are serious respiratory disorders marked by compromised gas exchange, inflammation, and excessive extracellular matrix (ECM) deposition. Current imaging techniques remain limited for early detection and monitoring of these diseases. This study introduces <strong>HD-LACTB</strong>, a near-infrared fluorescent probe developed by conjugating a LACTB-targeting unit with a structurally optimized hemicyanine dye. This probe demonstrates high specificity, sensitivity, rapid response, and enhanced deep-tissue imaging performance compared to existing agents. It also enables mitochondrial-targeted intracellular imaging, allowing real-time visualization of LACTB dynamics during ALI progression and treatment. In cellular models, <strong>HD-LACTB</strong> detected LACTB expression levels with fluorescence intensity corresponding to disease severity. In murine models, it non-invasively tracked therapeutic efficacy, supporting its utility for evaluating interventions. <strong>HD-LACTB</strong> addresses a critical need in early diagnosis by providing a sensitive, non-invasive tool for real-time monitoring of disease progression and treatment response, thereby facilitating improved clinical decision-making and patient outcomes.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"248 ","pages":"Article 113531"},"PeriodicalIF":4.2,"publicationDate":"2025-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145883000","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-26DOI: 10.1016/j.dyepig.2025.113528
Mónica G. Flores-Amaro , Julio E. Castañeda-Delgado , Rosa M. Jiménez-Barrera , Horacio Reyes-Pérez , Emanuel Bojórquez-Quintal , Abner Esperanza-Norzagaray , Tania I. Coral-Martinez , Iván Díaz-Payán , María C. García-López , Rodrigo Chan-Navarro
In this work, we have demonstrated blue and visible LED irradiation promoted synthesis of organoboron esters, achieved in just 30 min with near-quantitative yields. Their X-ray structures demonstrated that the boron atoms adopt a distorted tetrahedral geometry and the aryl substituents from aryl boric acid along the vertical axis gave an asymmetric boron center. The photostability properties were analyzed in solution, revealing that 1 and 2 featured axial-substituted methyl groups on the tetrahedral boron atom and exhibit superior stability compared to their derivatives. Theoretical calculations were performed to gain insight into the structures and the supramolecular associations within crystal structures. Interestingly, the compounds demonstrated good solubility and high biocompatibility, making them promising fluorescent dyes for applications in biological and biomedical sciences. Additionally, compounds 2, 3 and 4 exhibited strong, non-hazardous green fluorescence when tested against the C33A cervical cancer cell line highlighting their potential usage in the study of biological processes.
{"title":"Visible and blue LED irradiation-assisted one-step synthesis of novel organoboron heterocycles as cell imaging agents","authors":"Mónica G. Flores-Amaro , Julio E. Castañeda-Delgado , Rosa M. Jiménez-Barrera , Horacio Reyes-Pérez , Emanuel Bojórquez-Quintal , Abner Esperanza-Norzagaray , Tania I. Coral-Martinez , Iván Díaz-Payán , María C. García-López , Rodrigo Chan-Navarro","doi":"10.1016/j.dyepig.2025.113528","DOIUrl":"10.1016/j.dyepig.2025.113528","url":null,"abstract":"<div><div>In this work, we have demonstrated blue and visible LED irradiation promoted synthesis of organoboron esters, achieved in just 30 min with near-quantitative yields. Their X-ray structures demonstrated that the boron atoms adopt a distorted tetrahedral geometry and the aryl substituents from aryl boric acid along the vertical axis gave an asymmetric boron center. The photostability properties were analyzed in solution, revealing that <strong>1</strong> and <strong>2</strong> featured axial-substituted methyl groups on the tetrahedral boron atom and exhibit superior stability compared to their derivatives. Theoretical calculations were performed to gain insight into the structures and the supramolecular associations within crystal structures. Interestingly, the compounds demonstrated good solubility and high biocompatibility, making them promising fluorescent dyes for applications in biological and biomedical sciences. Additionally, compounds <strong>2</strong>, <strong>3</strong> and <strong>4</strong> exhibited strong, non-hazardous green fluorescence when tested against the C33A cervical cancer cell line highlighting their potential usage in the study of biological processes.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"248 ","pages":"Article 113528"},"PeriodicalIF":4.2,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145883003","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-25DOI: 10.1016/j.dyepig.2025.113525
Meng-Xin Liu , Jian-Peng Li , Xiao-Long Su , Li Zou , Huan Wang , Pu Chen , Ben Zhong Tang , Hai-Tao Feng
The development of novel photosensitizers for enhancing the ROS generation ability and photocatalytic efficiency in aqueous media is significantly important but challenging. Herein, a cationic AIE-based superoxide anion radical generation system was successfully established in aqueous media through supramolecular host-guest assembly between β-cyclodextrins (β-CD) and AIEgen (TT-Py) with a typical D-π-A configuration. Incorporating a single charge into AIEgen not only enhances its water solubility, but also promote intramolecular charge transfer and consequently boosts the generation of ROS. Furthermore, TT-Py was capable of forming a supramolecular complex TT-Py⊂β-CD with β-CD in aqueous solution. Notably, the supramolecular complex TT-Py⊂β-CD exhibit a substantial increase in fluorescence emission, as well as a significant enhancement of ROS production, predominantly attributed to an increased generation of superoxide anion radicals (O2•-), which can be used to perform oxidation of arylboronic acids as well as thioanisole, and photooxidation from benzyl alcohols to aldehydes. These findings demonstrate the viability of supramolecular AIEgens as promising candidates for driving photocatalytic oxidation processes in aqueous media.
{"title":"Host-guest approach to promote the generation of superoxide anion radicals and photocatalytic oxidations performance in water","authors":"Meng-Xin Liu , Jian-Peng Li , Xiao-Long Su , Li Zou , Huan Wang , Pu Chen , Ben Zhong Tang , Hai-Tao Feng","doi":"10.1016/j.dyepig.2025.113525","DOIUrl":"10.1016/j.dyepig.2025.113525","url":null,"abstract":"<div><div>The development of novel photosensitizers for enhancing the ROS generation ability and photocatalytic efficiency in aqueous media is significantly important but challenging. Herein, a cationic AIE-based superoxide anion radical generation system was successfully established in aqueous media through supramolecular host-guest assembly between <em>β</em>-cyclodextrins (<strong><em>β</em>-CD</strong>) and AIEgen (<strong>TT-Py</strong>) with a typical D-π-A configuration. Incorporating a single charge into AIEgen not only enhances its water solubility, but also promote intramolecular charge transfer and consequently boosts the generation of ROS. Furthermore, <strong>TT-Py</strong> was capable of forming a supramolecular complex <strong>TT-Py⊂<em>β</em>-CD</strong> with <strong><em>β</em>-CD</strong> in aqueous solution. Notably, the supramolecular complex <strong>TT-Py⊂<em>β</em>-CD</strong> exhibit a substantial increase in fluorescence emission, as well as a significant enhancement of ROS production, predominantly attributed to an increased generation of superoxide anion radicals (O<sub>2</sub><sup>•-</sup>), which can be used to perform oxidation of arylboronic acids as well as thioanisole, and photooxidation from benzyl alcohols to aldehydes. These findings demonstrate the viability of supramolecular AIEgens as promising candidates for driving photocatalytic oxidation processes in aqueous media.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"247 ","pages":"Article 113525"},"PeriodicalIF":4.2,"publicationDate":"2025-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836875","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-24DOI: 10.1016/j.dyepig.2025.113503
Sneha Parameshwarappa , Keerthikumar T. Chinnagiri , Ramyakumari T. Chinnagiri , Raghavendra M. Thippandegowdru
This study reports the development of a novel electrochemical sensor for the simultaneous determination of paracetamol (PR) and tryptophan (TR) using a carbon paste electrode modified with a synthesized sulfadiazine-resorcinol azo dye (SRAD). The SRAD compound was synthesized via a diazo coupling reaction and its molecular structure was confirmed using spectroscopic techniques. Electrochemical characterization demonstrated that the sulfadiazine-resorcinol azo dye modified carbon paste electrode (SRAD/MCPE) exhibits good performance for the concurrent quantification of PR and TR. The sensor achieved low limits of detection (7.9 μM for PR and 4.11 μM for TR), along with good Repeatability and stability. Operational parameters such as pH, scan rate, and interference effects were systematically optimized. In parallel, SRAD exhibited significant corrosion inhibition efficiency for mild steel in acidic media, functioning as good inhibitor with spontaneous Langmuir adsorption behavior. Surface analysis via SEM validated the protective film formation. Furthermore, the utility of SRAD was extended to forensic science, where the dusting method successfully visualized Level I and II latent fingerprint features under both normal and UV illumination.
{"title":"Multifunctional application of a sulfadiazine azo dye as electrochemical sensor, corrosion inhibitor, and forensic imaging agent","authors":"Sneha Parameshwarappa , Keerthikumar T. Chinnagiri , Ramyakumari T. Chinnagiri , Raghavendra M. Thippandegowdru","doi":"10.1016/j.dyepig.2025.113503","DOIUrl":"10.1016/j.dyepig.2025.113503","url":null,"abstract":"<div><div>This study reports the development of a novel electrochemical sensor for the simultaneous determination of paracetamol (PR) and tryptophan (TR) using a carbon paste electrode modified with a synthesized sulfadiazine-resorcinol azo dye (SRAD). The SRAD compound was synthesized via a diazo coupling reaction and its molecular structure was confirmed using spectroscopic techniques. Electrochemical characterization demonstrated that the sulfadiazine-resorcinol azo dye modified carbon paste electrode (SRAD/MCPE) exhibits good performance for the concurrent quantification of PR and TR. The sensor achieved low limits of detection (7.9 μM for PR and 4.11 μM for TR), along with good Repeatability and stability. Operational parameters such as pH, scan rate, and interference effects were systematically optimized. In parallel, SRAD exhibited significant corrosion inhibition efficiency for mild steel in acidic media, functioning as good inhibitor with spontaneous Langmuir adsorption behavior. Surface analysis via SEM validated the protective film formation. Furthermore, the utility of SRAD was extended to forensic science, where the dusting method successfully visualized Level I and II latent fingerprint features under both normal and UV illumination.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"248 ","pages":"Article 113503"},"PeriodicalIF":4.2,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145882896","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Carbon nanorings represent a paradigmatic class of molecular nanostructures in carbon-based materials. Owing to the unique π-conjugated structure and excellent optoelectronic properties, the discovery and creation of novel carbon nanorings hold a promising avenue for advancing molecular nanocarbon science. Theoretical studies predict that incorporating specific structural motifs into cycloparaphenylene (CPP) framework induces fascinating physical and chemical properties. We herein report an innovative porphyrin-based nanohoop, where zinc porphyrin (ZnP) moiety with benzobisthiadiazole (BBT) acceptors are integrated into the CPP architecture. Meaningfully, the synergistic electronic delocalization across ZnP, BBT, and CPP moieties markedly strengthens the optical characteristics of porphyrin-based nanohoops. By changing the position and increasing the quantity of BBT moiety, a series of porphyrin-based nanohoops were systematically designed and investigated by the density functional theory (DFT). Interestingly, the spatial position and quantity of BBT moieties play a pivotal role in modulating the NLO properties, and the change in the quantity of BBT moieties induces a dramatic enhancement of the first hyperpolarizability. Furthermore, we used the hyperpolarizability unit sphere representation (USR) and hyper-Rayleigh scattering (HRS) analytical techniques to better comprehend the NLO characteristics of the system. Significantly, the time-dependent density functional theory (TD-DFT) calculations of excited states reveal that distinct charge transfer characteristics exhibit significant correlation with nonlinear optical properties. Thus, both the amount and position of BBT units onto the nanorings frameworks regulate the intramolecular charge transfer characteristics and NLO properties. This study presents novel design concepts for constructing high-performance nonlinear optical devices based on porphyrin-based nanohoops, providing crucial theoretical insights into the optical response mechanisms of materials.
{"title":"Position- and quantity-dependent modulation of acceptor in porphyrin-based nanohoops: Strengthening charge transfer and nonlinear optical properties","authors":"Xin-tong Li , Xiao Huang , Feng-wei Gao , Hong-liang Xu","doi":"10.1016/j.dyepig.2025.113526","DOIUrl":"10.1016/j.dyepig.2025.113526","url":null,"abstract":"<div><div>Carbon nanorings represent a paradigmatic class of molecular nanostructures in carbon-based materials. Owing to the unique π-conjugated structure and excellent optoelectronic properties, the discovery and creation of novel carbon nanorings hold a promising avenue for advancing molecular nanocarbon science. Theoretical studies predict that incorporating specific structural motifs into cycloparaphenylene (CPP) framework induces fascinating physical and chemical properties. We herein report an innovative porphyrin-based nanohoop, where zinc porphyrin (ZnP) moiety with benzobisthiadiazole (BBT) acceptors are integrated into the CPP architecture. Meaningfully, the synergistic electronic delocalization across ZnP, BBT, and CPP moieties markedly strengthens the optical characteristics of porphyrin-based nanohoops. By changing the position and increasing the quantity of BBT moiety, a series of porphyrin-based nanohoops were systematically designed and investigated by the density functional theory (DFT). Interestingly, the spatial position and quantity of BBT moieties play a pivotal role in modulating the NLO properties, and the change in the quantity of BBT moieties induces a dramatic enhancement of the first hyperpolarizability. Furthermore, we used the hyperpolarizability unit sphere representation (USR) and hyper-Rayleigh scattering (HRS) analytical techniques to better comprehend the NLO characteristics of the system. Significantly, the time-dependent density functional theory (TD-DFT) calculations of excited states reveal that distinct charge transfer characteristics exhibit significant correlation with nonlinear optical properties. Thus, both the amount and position of BBT units onto the nanorings frameworks regulate the intramolecular charge transfer characteristics and NLO properties. This study presents novel design concepts for constructing high-performance nonlinear optical devices based on porphyrin-based nanohoops, providing crucial theoretical insights into the optical response mechanisms of materials.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"247 ","pages":"Article 113526"},"PeriodicalIF":4.2,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836879","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-24DOI: 10.1016/j.dyepig.2025.113529
Zu-Jia Chen , Ji-Lin Guo , Gui-Yuan Chen, Zong Li, Yun-Yi Ye, Ye-Tong Liu, Zhao-Yang Wang
Dual-state emission (DSE) fluorophores offer unique advantages in fluorescence applications by maintaining well emission intensity in both solution and solid state, overcoming the limitation of aggregation-caused quenching for conventional dyes. Herein, a novel and efficient strategy to design good-performance DSE fluorophores is to construct cyanopyridine core by using simple malononitrile sulfone compounds. As a common heterocycle, cyanopyridine is relatively less commonly used for the design of DSE molecules. Thus, integrating the DSE molecular design principles, we developed a desulfonylative cyclization protocol to access trisubstituted cyano-pyridine (TCP) scaffolds. The TCP 3a-3d synthesized by this method have good DSE properties and can exhibit strong blue-violet fluorescence in solution and in the solid state, which may be attributed to the synergistic intramolecular charge transfer (ICT) and the restricted rotation. Based on the extended design of cyanopyridine structural molecules for DSEphores, the TCP 3a is functioned as a multi-analyte sensor for nitroaromatic compounds (NACs) with a synergistic mechanism of photoinduced electron transfer (PET), fluorescence resonance energy transfer (FRET) and hydrogen bonding, achieving a detection limit of 10−7 M and enabling portable test-strip visualization. The feasibility of testing actual water samples demonstrates the potential of the TCP 3a to be a practical sensing device.
{"title":"Synthesis of novel cyanopyridine-type dual-state emission fluorophores and their sensing applications in nitro explosives","authors":"Zu-Jia Chen , Ji-Lin Guo , Gui-Yuan Chen, Zong Li, Yun-Yi Ye, Ye-Tong Liu, Zhao-Yang Wang","doi":"10.1016/j.dyepig.2025.113529","DOIUrl":"10.1016/j.dyepig.2025.113529","url":null,"abstract":"<div><div>Dual-state emission (DSE) fluorophores offer unique advantages in fluorescence applications by maintaining well emission intensity in both solution and solid state, overcoming the limitation of aggregation-caused quenching for conventional dyes. Herein, a novel and efficient strategy to design good-performance DSE fluorophores is to construct cyanopyridine core by using simple malononitrile sulfone compounds. As a common heterocycle, cyanopyridine is relatively less commonly used for the design of DSE molecules. Thus, integrating the DSE molecular design principles, we developed a desulfonylative cyclization protocol to access trisubstituted cyano-pyridine (TCP) scaffolds. The TCP <strong>3a-3d</strong> synthesized by this method have good DSE properties and can exhibit strong blue-violet fluorescence in solution and in the solid state, which may be attributed to the synergistic intramolecular charge transfer (ICT) and the restricted rotation. Based on the extended design of cyanopyridine structural molecules for DSEphores, the TCP <strong>3a</strong> is functioned as a multi-analyte sensor for nitroaromatic compounds (NACs) with a synergistic mechanism of photoinduced electron transfer (PET), fluorescence resonance energy transfer (FRET) and hydrogen bonding, achieving a detection limit of 10<sup>−7</sup> M and enabling portable test-strip visualization. The feasibility of testing actual water samples demonstrates the potential of the TCP <strong>3a</strong> to be a practical sensing device.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"247 ","pages":"Article 113529"},"PeriodicalIF":4.2,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836884","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Cysteine (Cys) is one of the 20 proteinogenic amino acids and a key biomolecule that regulates nitrogen balance and redox homeostasis in organisms. Abnormal Cys levels in the human body, however, may trigger the development of related diseases. In this study, a novel Cys-responsive fluorescent probe DMT-Cys based on thiopyrone was developed. The specific Michael addition reaction between Cys and the probe's acrylate group allows it to exhibit high selectivity for Cys over other amino acids within a short period. Consequently, when other amino acids are present, DMT-Cys exhibits a large Stokes shift (7390 cm−1), rapid response (<5 min), excellent sensitivity, and high selectivity for Cys. Furthermore, this probe enables not only portable detection of Cys via colorimetric software but also quantification of Cys concentrations in food samples. Crucially, the probe successfully detects cysteine in living cells and zebrafish. These observations underscore the probe's potential for application in biomonitoring scenarios.
{"title":"Construction of a thiopyrone-based NIR fluorescent probe with large Stokes shift for Cys detection and its application for food samples and bioimaging","authors":"Youlai Zhang, Junqing Zhou, Baoze Guo, Shuai Guo, Songhua Zhu, Cong Sun, Jinwei Zhang, Xiangbo Gou, Huan Zhang","doi":"10.1016/j.dyepig.2025.113527","DOIUrl":"10.1016/j.dyepig.2025.113527","url":null,"abstract":"<div><div>Cysteine (Cys) is one of the 20 proteinogenic amino acids and a key biomolecule that regulates nitrogen balance and redox homeostasis in organisms. Abnormal Cys levels in the human body, however, may trigger the development of related diseases. In this study, a novel Cys-responsive fluorescent probe <strong>DMT-Cys</strong> based on thiopyrone was developed. The specific Michael addition reaction between Cys and the probe's acrylate group allows it to exhibit high selectivity for Cys over other amino acids within a short period. Consequently, when other amino acids are present, <strong>DMT-Cys</strong> exhibits a large Stokes shift (7390 cm<sup>−1</sup>), rapid response (<5 min), excellent sensitivity, and high selectivity for Cys. Furthermore, this probe enables not only portable detection of Cys via colorimetric software but also quantification of Cys concentrations in food samples. Crucially, the probe successfully detects cysteine in living cells and zebrafish. These observations underscore the probe's potential for application in biomonitoring scenarios.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"247 ","pages":"Article 113527"},"PeriodicalIF":4.2,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836885","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this study, a combined QM/MM scheme at the MS-CASPT2//CASSCF level was employed to unravel the detailed photochemical mechanisms governing reversible CN bond formation in pyrimidine-based aza-diarylethene photoswitches. Our computational model accurately reproduces the experimental UV–Vis spectra for all key switching states, capturing the characteristic absorption features of open 1, the zwitterionic closed Z-1, and the protonated derivatives. Building on this validated computational model, we further explored two key photoinduced pathways relevant to the switching states. First, upon 365 nm irradiation, open 1 is promoted to its S1 state and reaches an S1/S0 conical intersection without any barrier. This pathway can lead to ultrafast internal conversion and the formation of the closed Z-1 isomer, consistent with experimental observations. Second, in the protonated system, photoexcitation drives isomerization between the Z and E isomers through an S1/S0 conical intersection as well. This process is nearly barrierless from the protonated closed Z-1 S1 state. This work elucidates the key excited-state processes that govern the photoswitching cycles and paves the way for the rational design of advanced aza-diarylethene-based materials.
{"title":"Unraveling the photochemical mechanisms of reversible CN bond formation in the aza-diarylethene photoswitch: A QM/MM study","authors":"Rui Zhao , Jia-Ling Dai , Bo-Wen Yin , Xue-Ping Chang , Bin-Bin Xie","doi":"10.1016/j.dyepig.2025.113524","DOIUrl":"10.1016/j.dyepig.2025.113524","url":null,"abstract":"<div><div>In this study, a combined QM/MM scheme at the MS-CASPT2//CASSCF level was employed to unravel the detailed photochemical mechanisms governing reversible C<img>N bond formation in pyrimidine-based aza-diarylethene photoswitches. Our computational model accurately reproduces the experimental UV–Vis spectra for all key switching states, capturing the characteristic absorption features of open 1, the zwitterionic closed Z-1, and the protonated derivatives. Building on this validated computational model, we further explored two key photoinduced pathways relevant to the switching states. First, upon 365 nm irradiation, open 1 is promoted to its S<sub>1</sub> state and reaches an S<sub>1</sub>/S<sub>0</sub> conical intersection without any barrier. This pathway can lead to ultrafast internal conversion and the formation of the closed Z-1 isomer, consistent with experimental observations. Second, in the protonated system, photoexcitation drives isomerization between the Z and E isomers through an S<sub>1</sub>/S<sub>0</sub> conical intersection as well. This process is nearly barrierless from the protonated closed Z-1 S<sub>1</sub> state. This work elucidates the key excited-state processes that govern the photoswitching cycles and paves the way for the rational design of advanced aza-diarylethene-based materials.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"247 ","pages":"Article 113524"},"PeriodicalIF":4.2,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836878","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-23DOI: 10.1016/j.dyepig.2025.113504
Shan Huang , Yu Yan , Hongbo Shao , Hanrui Su , Yongxing Tian , Haotian Yue , Qiang Zhang , Runda Guo , Lei Wang
The construction of hybridized long-range charge-transfer (LRCT) and short-range charge-transfer (SRCT) states within multiple resonance thermally activated delayed fluorescence (MR-TADF) materials has emerged as a compelling strategy to accelerate the sluggish reverse intersystem crossing (RISC) process. However, the intrinsic propensity of the LRCT state to induce red-shifted emission has led to a pronounced scarcity of deep-blue LRCT/SRCT type TADF emitters. Herein, we successfully synthesized a novel deep-blue LRCT/SRCT type TADF emitter, tMOPXZ-PAB, which exhibited an emission peak at 448 nm and a narrow full width at half maximum (FWHM) of 23 nm. By judiciously attenuating the electron-donating ability of the LRCT donor in tMOPXZ-PAB, we achieved an optimized balance between LRCT and SRCT contributions, yielding tMePXZ-PAB. This emitter showed a further blue-shifted emission maximum at 442 nm and a narrow FWHM of 20 nm. Owing to the modulation of excited-state characteristics, tMOPXZ-PAB and tMePXZ-PAB exhibited accelerated RISC rate constants in doped films, with tMePXZ-PAB reaching 5.78 104 s−1, over 5.5 times that of the MR core DABNA-1. Consequently, the tMePXZ-PAB-based device exhibited a high maximum external quantum efficiency (EQEmax) surpassing 20 %, outperforming most deep-blue DABNA-1 derivatives.
{"title":"Hybrid charge-transfer strategy enables MR-TADF emitters for deep-blue, high-efficiency OLEDs","authors":"Shan Huang , Yu Yan , Hongbo Shao , Hanrui Su , Yongxing Tian , Haotian Yue , Qiang Zhang , Runda Guo , Lei Wang","doi":"10.1016/j.dyepig.2025.113504","DOIUrl":"10.1016/j.dyepig.2025.113504","url":null,"abstract":"<div><div>The construction of hybridized long-range charge-transfer (LRCT) and short-range charge-transfer (SRCT) states within multiple resonance thermally activated delayed fluorescence (MR-TADF) materials has emerged as a compelling strategy to accelerate the sluggish reverse intersystem crossing (RISC) process. However, the intrinsic propensity of the LRCT state to induce red-shifted emission has led to a pronounced scarcity of deep-blue LRCT/SRCT type TADF emitters. Herein, we successfully synthesized a novel deep-blue LRCT/SRCT type TADF emitter, <strong>tMOPXZ-PAB</strong>, which exhibited an emission peak at 448 nm and a narrow full width at half maximum (FWHM) of 23 nm. By judiciously attenuating the electron-donating ability of the LRCT donor in <strong>tMOPXZ-PAB</strong>, we achieved an optimized balance between LRCT and SRCT contributions, yielding <strong>tMePXZ-PAB</strong>. This emitter showed a further blue-shifted emission maximum at 442 nm and a narrow FWHM of 20 nm. Owing to the modulation of excited-state characteristics, <strong>tMOPXZ-PAB</strong> and <strong>tMePXZ-PAB</strong> exhibited accelerated RISC rate constants in doped films, with <strong>tMePXZ-PAB</strong> reaching 5.78 <span><math><mrow><mo>×</mo></mrow></math></span> 10<sup>4</sup> s<sup>−1</sup>, over 5.5 times that of the MR core <strong>DABNA-1</strong>. Consequently, the <strong>tMePXZ-PAB</strong>-based device exhibited a high maximum external quantum efficiency (EQE<sub>max</sub>) surpassing 20 %, outperforming most deep-blue <strong>DABNA-1</strong> derivatives.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"247 ","pages":"Article 113504"},"PeriodicalIF":4.2,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836370","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-23DOI: 10.1016/j.dyepig.2025.113523
Jiajie Ren , Jinshan Xu , Yao Wang , Wei Chen , Yuanzhuo Zhao , Xiangyu Xiao , Hua Zhao , Yixin Wang , Danyang Shan , Guomin Xia
Aggregation-induced emission (AIE) luminogens overcome concentration quenching in conventional fluorophores, yet face a rigidity-vibration trade-off in pursuing high performance. By leveraging the intrinsic motional freedom of a propeller-shaped squaraine scaffold (SQ-Ph), we engineered phenyl-extended (SQ-2Ph) and fluorene-substituted (SQ-MF) derivatives. This molecular design preserves sufficient intramolecular motion freedom in isolated states while forming synergistic Ar(C)–H⋯O/π networks that providing supramolecular rigidification in the solid state while generating steric blocking to suppress π-π stacking. Thus, these modifications retain AIE activity with emission red-shift and achieve ultrabright fluorescence with high quantum yields (ΦPL) of 74.1 % (SQ-MF) and 66.3 % (SQ-2Ph)—representing 7.0- and 6.3-fold enhancements over SQ-Ph (ΦPL = 10.5 %). Moreover, the SQ-MF further demonstrates efficent cell imaging even at low concentrations, with excellent biocompatibility and structural stability. This work establishes a supramolecular engineering paradigm that reconciles molecular motion freedom with emission efficiency, providing a design platform for high-performance AIE probes in cell imaging applications.
{"title":"Engineering rigidity-flexibility synergy in propeller AIEgens: 74.1 % quantum yield emitters and high-contrast cell imaging","authors":"Jiajie Ren , Jinshan Xu , Yao Wang , Wei Chen , Yuanzhuo Zhao , Xiangyu Xiao , Hua Zhao , Yixin Wang , Danyang Shan , Guomin Xia","doi":"10.1016/j.dyepig.2025.113523","DOIUrl":"10.1016/j.dyepig.2025.113523","url":null,"abstract":"<div><div>Aggregation-induced emission (AIE) luminogens overcome concentration quenching in conventional fluorophores, yet face a rigidity-vibration trade-off in pursuing high performance. By leveraging the intrinsic motional freedom of a propeller-shaped squaraine scaffold (SQ-Ph), we engineered phenyl-extended (SQ-2Ph) and fluorene-substituted (SQ-MF) derivatives. This molecular design preserves sufficient intramolecular motion freedom in isolated states while forming synergistic Ar(C)–H⋯O/π networks that providing supramolecular rigidification in the solid state while generating steric blocking to suppress π-π stacking. Thus, these modifications retain AIE activity with emission red-shift and achieve ultrabright fluorescence with high quantum yields (Φ<sub>PL</sub>) of 74.1 % (SQ-MF) and 66.3 % (SQ-2Ph)—representing 7.0- and 6.3-fold enhancements over SQ-Ph (Φ<sub>PL</sub> = 10.5 %). Moreover, the SQ-MF further demonstrates efficent cell imaging even at low concentrations, with excellent biocompatibility and structural stability. This work establishes a supramolecular engineering paradigm that reconciles molecular motion freedom with emission efficiency, providing a design platform for high-performance AIE probes in cell imaging applications.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"247 ","pages":"Article 113523"},"PeriodicalIF":4.2,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836877","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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