Pub Date : 2025-02-17DOI: 10.1016/j.dyepig.2025.112713
Junhong Liang , Xudong Li , Furong Shi , Jinye He , Sheng Guan , Yuan Zhou , Pengzhi Guo , Chenglong Wang , Yangjun Xia
Continuous interpenetrating network morphology on the performance of organic solar cells (OSCs) have the effect of ease, how to control the bulk heterojunction (BHJ) the formation of the fiber morphology is of vital importance. In this study, a series of polymers were synthesized by rationally varying the atoms connecting the conjugated backbone and side chains, PBDT-T-SBDD, PBDT-TS-SBDD and PBDT-TDS-SBDD were used to systematically study the effects of sulfur atom on the electron conformation of the molecule, the morphology of the blend film and the properties of the device. We found that the introduction of sulfur atoms can enhance the intermolecular interaction, thus reducing the energy disorder of the blend film. However, excessive introduction of sulfur atoms leads to excessive steric hindrance of side chain of the molecules, resulting in excessive local aggregation. Compared with PBDT-T-SBDD: Y6 and PBDT-TDS-SBDD: Y6-based OSCs, PBDT-TS-SBDD: Y6-based OSCs has both higher photovoltaic performance, reaching a PCE of 11.33 %, due to the well-defined fiber structure which significantly improves the charge transport channel and phase separation of the blend film.
{"title":"Optimizing bicontinuous network morphology by precisely regulating alkyl sulfur group side-chain for organic solar cells","authors":"Junhong Liang , Xudong Li , Furong Shi , Jinye He , Sheng Guan , Yuan Zhou , Pengzhi Guo , Chenglong Wang , Yangjun Xia","doi":"10.1016/j.dyepig.2025.112713","DOIUrl":"10.1016/j.dyepig.2025.112713","url":null,"abstract":"<div><div>Continuous interpenetrating network morphology on the performance of organic solar cells (OSCs) have the effect of ease, how to control the bulk heterojunction (BHJ) the formation of the fiber morphology is of vital importance. In this study, a series of polymers were synthesized by rationally varying the atoms connecting the conjugated backbone and side chains, PBDT-T-SBDD, PBDT-TS-SBDD and PBDT-TDS-SBDD were used to systematically study the effects of sulfur atom on the electron conformation of the molecule, the morphology of the blend film and the properties of the device. We found that the introduction of sulfur atoms can enhance the intermolecular interaction, thus reducing the energy disorder of the blend film. However, excessive introduction of sulfur atoms leads to excessive steric hindrance of side chain of the molecules, resulting in excessive local aggregation. Compared with PBDT-T-SBDD: Y6 and PBDT-TDS-SBDD: Y6-based OSCs, PBDT-TS-SBDD: Y6-based OSCs has both higher photovoltaic performance, reaching a PCE of 11.33 %, due to the well-defined fiber structure which significantly improves the charge transport channel and phase separation of the blend film.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"237 ","pages":"Article 112713"},"PeriodicalIF":4.1,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143444411","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 : 2025-02-16DOI: 10.1016/j.dyepig.2025.112712
Dan Wu , Chao Gan , Chao He , Yan Wu , Peng-Yu Ji , Cheng Xing , Li-Qiong Yao
Melanoma is a highly aggressive malignant tumor, and precise diagnosis is essential but remains to be explored. Making full use of the widespread correlation biomarker in melanoma to develop the dual-locked NIR fluorescence probe is of great importance for the accurate diagnosis and treatment of melanoma. Herein, we proposed a novel dual-locked NIR fluorescent probe Cy-Dual by utilizing two interrelated characteristic biomarkers of melanoma. Cy-Dual remained fluorescent off in normal cells, yet turn on remarkable NIR fluorescence after the co-activation of two melanoma-associated markers, namely, glutathione and tyrosinase. In-depth cell bioimaging results indicate that Cy-Dual allows highly specific imaging of melanoma cells, making it a powerful tool for accurately detecting melanomas. More impressively, such co-activated probe further enables the real-time imaging diagnosis of melanoma in vivo utilizing a xenograft tumor-bearing mice model. This study provides a non-invasive imaging technique for melanoma, which facilitates advancements in precision medicine related to melanoma.
{"title":"Glutathione and tyrosinase Co-activated near-infrared fluorescent probes for precise detection of melanoma","authors":"Dan Wu , Chao Gan , Chao He , Yan Wu , Peng-Yu Ji , Cheng Xing , Li-Qiong Yao","doi":"10.1016/j.dyepig.2025.112712","DOIUrl":"10.1016/j.dyepig.2025.112712","url":null,"abstract":"<div><div>Melanoma is a highly aggressive malignant tumor, and precise diagnosis is essential but remains to be explored. Making full use of the widespread correlation biomarker in melanoma to develop the dual-locked NIR fluorescence probe is of great importance for the accurate diagnosis and treatment of melanoma. Herein, we proposed a novel dual-locked NIR fluorescent probe Cy-Dual by utilizing two interrelated characteristic biomarkers of melanoma. Cy-Dual remained fluorescent off in normal cells, yet turn on remarkable NIR fluorescence after the co-activation of two melanoma-associated markers, namely, glutathione and tyrosinase. In-depth cell bioimaging results indicate that Cy-Dual allows highly specific imaging of melanoma cells, making it a powerful tool for accurately detecting melanomas. More impressively, such co-activated probe further enables the real-time imaging diagnosis of melanoma <em>in vivo</em> utilizing a xenograft tumor-bearing mice model. This study provides a non-invasive imaging technique for melanoma, which facilitates advancements in precision medicine related to melanoma.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"237 ","pages":"Article 112712"},"PeriodicalIF":4.1,"publicationDate":"2025-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143444310","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 : 2025-02-15DOI: 10.1016/j.dyepig.2025.112710
Mohammed Fareed Felemban , Faris J. Tayeb , Ali Alqarni , Dr Amal Adnan Ashour , Dr Alaa Shafie
Cancer remains one of the most critical global health challenges, accounting for a substantial number of deaths worldwide. Conventional anticancer therapies, such as chemotherapy and radiation, are often accompanied by severe side effects, drug resistance, and limited specificity in targeting cancer cells, necessitating the development of novel, effective, and targeted therapeutic agents. Among the various strategies explored, metal-based drugs have attracted significant attention due to their unique chemical and biological properties. Schiff base compounds, with their versatile structural frameworks, have emerged as promising candidates in medicinal chemistry, owing to their ability to chelate metal ions and exhibit potent anticancer activities. In particular, Schiff base complexes with coinage metals (Cu, Ag and Au) have gained significant interest due to their unique redox properties, strong DNA-binding capabilities, and the ability to generate reactive oxygen species (ROS), which induce apoptosis in cancer cells. The aim of this review is to provide a comprehensive analysis of Schiff base coinage metal complexes, as potential anticancer agents. The review explores how the structural attributes of Schiff base ligands influence the biological activities of these complexes. Furthermore, recent advancements (2021–2025) in the development of these complexes are discussed, highlighting their efficacy against various cancer types and the specific advantages of incorporating coinage metals into Schiff base frameworks.
{"title":"Recent advances in Schiff base coinage metal complexes as anticancer agents: A comprehensive review (2021–2025)","authors":"Mohammed Fareed Felemban , Faris J. Tayeb , Ali Alqarni , Dr Amal Adnan Ashour , Dr Alaa Shafie","doi":"10.1016/j.dyepig.2025.112710","DOIUrl":"10.1016/j.dyepig.2025.112710","url":null,"abstract":"<div><div>Cancer remains one of the most critical global health challenges, accounting for a substantial number of deaths worldwide. Conventional anticancer therapies, such as chemotherapy and radiation, are often accompanied by severe side effects, drug resistance, and limited specificity in targeting cancer cells, necessitating the development of novel, effective, and targeted therapeutic agents. Among the various strategies explored, metal-based drugs have attracted significant attention due to their unique chemical and biological properties. Schiff base compounds, with their versatile structural frameworks, have emerged as promising candidates in medicinal chemistry, owing to their ability to chelate metal ions and exhibit potent anticancer activities. In particular, Schiff base complexes with coinage metals (Cu, Ag and Au) have gained significant interest due to their unique redox properties, strong DNA-binding capabilities, and the ability to generate reactive oxygen species (ROS), which induce apoptosis in cancer cells. The aim of this review is to provide a comprehensive analysis of Schiff base coinage metal complexes, as potential anticancer agents. The review explores how the structural attributes of Schiff base ligands influence the biological activities of these complexes. Furthermore, recent advancements (2021–2025) in the development of these complexes are discussed, highlighting their efficacy against various cancer types and the specific advantages of incorporating coinage metals into Schiff base frameworks.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"237 ","pages":"Article 112710"},"PeriodicalIF":4.1,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429803","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}
Biological pigments fundamentally fall into two main categories: photosynthetic pigments and photoprotective pigments. Photosynthetic pigments are essential for photosynthesis whereas photoprotective pigments are necessary for protection against harmful solar radiations including UV-B rays. Among all the photoprotective pigments, melanin is considered to be the key player as it is synthesized in a variety of living organisms. In nature, melanin acts as a photo protectant, chelating agent, antioxidant, charge transport mediator, metal ion balancer and a critical camouflaging colorant. The biosynthesis of melanin involves the enzymes tyrosinase, laccase, and 4-hydroxyphenylpyruvate dioxygenase respectively, that employ different substrates to form a variety of melanin's. The production and extraction of these polymers from plants and animals is a challenging task. Therefore, the focus has shifted to inexpensive sources such as microbes. Also, with the help of recombinant DNA technology, it is possible to increase melanin production. In this review, we have discussed different types of pigment occurring in plants, animals and microbes with special reference to melanin. We have also emphasized on the pathways involved in synthesis of major classes of melanin. Finally, the latest advances towards strain improvement and process development methods along with biological functions, and applications of melanin are also summarized and discussed.
生物色素主要分为两大类：光合色素和光保护色素。光合色素是进行光合作用所必需的，而光保护色素则是抵御包括紫外线-B 在内的有害太阳辐射所必需的。在所有光保护色素中，黑色素被认为是最重要的色素，因为它可以在各种生物体内合成。在自然界中，黑色素是一种光保护剂、螯合剂、抗氧化剂、电荷传输介质、金属离子平衡剂和重要的伪装着色剂。黑色素的生物合成涉及酪氨酸酶、漆酶和 4-羟基苯基丙酮酸二氧酶，它们分别利用不同的底物形成各种黑色素。从动植物中生产和提取这些聚合物是一项具有挑战性的任务。因此，研究重点已转向微生物等廉价来源。此外，在 DNA 重组技术的帮助下，提高黑色素产量也成为可能。在这篇综述中，我们讨论了植物、动物和微生物中存在的不同类型的色素，并特别提到了黑色素。我们还强调了合成主要类别黑色素的途径。最后，我们还总结并讨论了菌种改良和工艺开发方法的最新进展，以及黑色素的生物功能和应用。
{"title":"The amazing world of biological pigments: A review on microbial melanins","authors":"Divya Singh , Deepshikha , Venkatesh Chaturvedi , Pradeep Verma","doi":"10.1016/j.dyepig.2025.112711","DOIUrl":"10.1016/j.dyepig.2025.112711","url":null,"abstract":"<div><div>Biological pigments fundamentally fall into two main categories: photosynthetic pigments and photoprotective pigments. Photosynthetic pigments are essential for photosynthesis whereas photoprotective pigments are necessary for protection against harmful solar radiations including UV-B rays. Among all the photoprotective pigments, melanin is considered to be the key player as it is synthesized in a variety of living organisms. In nature, melanin acts as a photo protectant, chelating agent, antioxidant, charge transport mediator, metal ion balancer and a critical camouflaging colorant. The biosynthesis of melanin involves the enzymes tyrosinase, laccase, and 4-hydroxyphenylpyruvate dioxygenase respectively, that employ different substrates to form a variety of melanin's. The production and extraction of these polymers from plants and animals is a challenging task. Therefore, the focus has shifted to inexpensive sources such as microbes. Also, with the help of recombinant DNA technology, it is possible to increase melanin production. In this review, we have discussed different types of pigment occurring in plants, animals and microbes with special reference to melanin. We have also emphasized on the pathways involved in synthesis of major classes of melanin. Finally, the latest advances towards strain improvement and process development methods along with biological functions, and applications of melanin are also summarized and discussed.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"237 ","pages":"Article 112711"},"PeriodicalIF":4.1,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143438270","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 the field of cultural heritage, accurately identifying the colors produced by madder root dyes without alteration is critical. In fact, textile dyeing using extracts from their roots has been performed for centuries. Many examples of madder dye remain today in museum and conservation collections. Madder is an interesting natural source of dye because it contains up to 68 different colorants. However, many of these dyes are extremely sensitive to hydrolysis, decarboxylation, and degradation from enzymes, extraction chemicals, and processing temperatures. The valuable chemical information embedded in the dye structure may be lost if extraction and analysis are too harsh, resulting in inaccurate color prediction with large color differences. Thus, they are often overlooked as colorants in historical textiles. Over the past decades, traditional extraction techniques have been used to analyze textiles but they are invasive and destructive. As a result, this method is expensive, time-consuming, and in some cases is not suited for the analysis of artwork. But in the last decades, computer techniques have been presented as a powerful tool that enables the prediction of UV–VIS signature spectra and color coordinates with high accuracy using Time-Dependent Density Functional Theory. The aim of this study is to elaborate an efficient color prediction process of madder's root without any chemical degradation of dyes. It will enable the creation of a robust analytical database to identify madder colors in heritage objects. Here, we provide a rapid method to obtain a complete database of predicted UV–VIS spectra and color of anthraquinone derivatives found in Madder. In the context of historical textiles, the detailed color of natural colorants present in the artwork is of paramount importance for conservation and restoration purposes.
{"title":"In-silico color prediction process for natural dyes in Madder","authors":"Thanh Huyen Linh Tran , Romain Berraud-Pache , Maguy Jaber","doi":"10.1016/j.dyepig.2025.112701","DOIUrl":"10.1016/j.dyepig.2025.112701","url":null,"abstract":"<div><div>In the field of cultural heritage, accurately identifying the colors produced by madder root dyes without alteration is critical. In fact, textile dyeing using extracts from their roots has been performed for centuries. Many examples of madder dye remain today in museum and conservation collections. Madder is an interesting natural source of dye because it contains up to 68 different colorants. However, many of these dyes are extremely sensitive to hydrolysis, decarboxylation, and degradation from enzymes, extraction chemicals, and processing temperatures. The valuable chemical information embedded in the dye structure may be lost if extraction and analysis are too harsh, resulting in inaccurate color prediction with large color differences. Thus, they are often overlooked as colorants in historical textiles. Over the past decades, traditional extraction techniques have been used to analyze textiles but they are invasive and destructive. As a result, this method is expensive, time-consuming, and in some cases is not suited for the analysis of artwork. But in the last decades, computer techniques have been presented as a powerful tool that enables the prediction of UV–VIS signature spectra and color coordinates with high accuracy using Time-Dependent Density Functional Theory. The aim of this study is to elaborate an efficient color prediction process of madder's root without any chemical degradation of dyes. It will enable the creation of a robust analytical database to identify madder colors in heritage objects. Here, we provide a rapid method to obtain a complete database of predicted UV–VIS spectra and color of anthraquinone derivatives found in Madder. In the context of historical textiles, the detailed color of natural colorants present in the artwork is of paramount importance for conservation and restoration purposes.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"237 ","pages":"Article 112701"},"PeriodicalIF":4.1,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429808","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 : 2025-02-13DOI: 10.1016/j.dyepig.2025.112699
Yuchen Song , Qiang Wang , Qiankun Shi , Tongyin Xiong , Biru Wu , Jucai Gao , Fang Hu
Traditional cancer treatments often lead to significant side effects and exhibit limited circulation within the body. To address these issues, considerable efforts have been directed towards developing drug delivery systems and prodrug strategies. However, the inclusion of supplementary carrier materials and protective groups complicates the clinical transition process. Here, we introduce a prodrug nano-assembly formed by conjugating methylene blue (MB) and doxorubicin (DOX) through a urea linkage. Notably, the resulting MB-DOX structure incorporates only 1.9 % additional atoms compared to clinical MB and DOX. This formulation effectively masks the cytotoxicity of DOX and eliminates the photosensitivity of MB. Moreover, the amphiphilic nature of MB-DOX facilitates self-assembly into nanostructures without requiring additional carriers, realizing self-delivery. Upon accumulation at the tumor site, light-induced cleavage of the urea bond releases therapeutic MB and DOX, enabling combined photodynamic therapy and chemotherapy with minimal adverse effects. Crucially, our design fulfills self-delivery and reduces the side effects of MB and DOX by simply introducing a urea linkage, eliminating the necessity for carrier materials and bulk protective groups, and holding promise for expediting the clinical translation of prodrugs.
{"title":"Atom-efficient and self-delivered prodrug based on methylene blue and doxorubicin for tumor combination therapy","authors":"Yuchen Song , Qiang Wang , Qiankun Shi , Tongyin Xiong , Biru Wu , Jucai Gao , Fang Hu","doi":"10.1016/j.dyepig.2025.112699","DOIUrl":"10.1016/j.dyepig.2025.112699","url":null,"abstract":"<div><div>Traditional cancer treatments often lead to significant side effects and exhibit limited circulation within the body. To address these issues, considerable efforts have been directed towards developing drug delivery systems and prodrug strategies. However, the inclusion of supplementary carrier materials and protective groups complicates the clinical transition process. Here, we introduce a prodrug nano-assembly formed by conjugating methylene blue (MB) and doxorubicin (DOX) through a urea linkage. Notably, the resulting MB-DOX structure incorporates only 1.9 % additional atoms compared to clinical MB and DOX. This formulation effectively masks the cytotoxicity of DOX and eliminates the photosensitivity of MB. Moreover, the amphiphilic nature of MB-DOX facilitates self-assembly into nanostructures without requiring additional carriers, realizing self-delivery. Upon accumulation at the tumor site, light-induced cleavage of the urea bond releases therapeutic MB and DOX, enabling combined photodynamic therapy and chemotherapy with minimal adverse effects. Crucially, our design fulfills self-delivery and reduces the side effects of MB and DOX by simply introducing a urea linkage, eliminating the necessity for carrier materials and bulk protective groups, and holding promise for expediting the clinical translation of prodrugs.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"237 ","pages":"Article 112699"},"PeriodicalIF":4.1,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429802","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 : 2025-02-12DOI: 10.1016/j.dyepig.2025.112698
Teófanes B. Serna, Dora G. Felipe, Acácio A. Andrade, Viviane Pilla
{"title":"Corrigendum to “Thermo-optical characterization of fluorescent materials based on edible vegetable oils” [Dyes and Pigments 236 (2025) 112662]","authors":"Teófanes B. Serna, Dora G. Felipe, Acácio A. Andrade, Viviane Pilla","doi":"10.1016/j.dyepig.2025.112698","DOIUrl":"10.1016/j.dyepig.2025.112698","url":null,"abstract":"","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"236 ","pages":"Article 112698"},"PeriodicalIF":4.1,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143428253","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 : 2025-02-12DOI: 10.1016/j.dyepig.2025.112695
Anne-Charlotte Nellissen , Yuanzhi Xia , Tianze Hu , Jonathan B.F. Vandenwijngaerden , Eduard Fron , Steven De Feyter , Kenji Watanabe , Takashi Taniguchi , Stijn F.L. Mertens , Mark Van der Auweraer
The adsorption and self-assembly of metalfree tetra(4-carboxyphenyl) porphyrin (TCPP) from ethanol on the surface of hexagonal boron nitride (hBN) was studied to determine the influence of the concentration of the solution on the self-assembly/aggregation and spectroscopic properties of the adsorbed TCPP. The adsorption isotherm indicates that at saturation the TCPP molecules adsorb edge-on with the macrocycle nearly perpendicular parallel to the hBN surface. On the other hand, the atomic force (microscopy AFM) micrographs indicate that a monolayer of flat-on adsorbed TCPP molecules, observed for adsorption from a diluted solution transforms into edge-on adsorbed molecules when more concentrated solutions are used. While for adsorption from a dilute solution, the stationary emission spectra correspond to those reported in literature, they shift 15 nm to longer wavelengths when adsorption occurs from more concentrated solutions suggesting stronger interaction between neighboring chromophores for edge on adsorption. The latter is also suggested by a broadening of the red edge of the fluorescence excitation spectra. Fluorescence decays obtained for the different emission wavelengths can be analyzed globally as quadruple exponential decays linking the four decay times. The non-mono-exponential character of the decay is attributed mainly to energy transfer to non-fluorescent traps. The longest decay time decreases from 5.9 ns for the sample prepared by adsorption from a dilute solution to 4.6 and 4.0 ns from samples prepared from more concentrated solutions. These decay times are about 50 % shorter than the fluorescence decay time of TCPP in ethanol.
{"title":"Concentration dependence of the adsorption of metalfree tetra(4-carboxyphenyl) porphyrin (TCPP) on hexagonal boron nitride","authors":"Anne-Charlotte Nellissen , Yuanzhi Xia , Tianze Hu , Jonathan B.F. Vandenwijngaerden , Eduard Fron , Steven De Feyter , Kenji Watanabe , Takashi Taniguchi , Stijn F.L. Mertens , Mark Van der Auweraer","doi":"10.1016/j.dyepig.2025.112695","DOIUrl":"10.1016/j.dyepig.2025.112695","url":null,"abstract":"<div><div>The adsorption and self-assembly of metalfree tetra(4-carboxyphenyl) porphyrin (TCPP) from ethanol on the surface of hexagonal boron nitride (hBN) was studied to determine the influence of the concentration of the solution on the self-assembly/aggregation and spectroscopic properties of the adsorbed TCPP. The adsorption isotherm indicates that at saturation the TCPP molecules adsorb edge-on with the macrocycle nearly perpendicular parallel to the hBN surface. On the other hand, the atomic force (microscopy AFM) micrographs indicate that a monolayer of flat-on adsorbed TCPP molecules, observed for adsorption from a diluted solution transforms into edge-on adsorbed molecules when more concentrated solutions are used. While for adsorption from a dilute solution, the stationary emission spectra correspond to those reported in literature, they shift 15 nm to longer wavelengths when adsorption occurs from more concentrated solutions suggesting stronger interaction between neighboring chromophores for edge on adsorption. The latter is also suggested by a broadening of the red edge of the fluorescence excitation spectra. Fluorescence decays obtained for the different emission wavelengths can be analyzed globally as quadruple exponential decays linking the four decay times. The non-mono-exponential character of the decay is attributed mainly to energy transfer to non-fluorescent traps. The longest decay time decreases from 5.9 ns for the sample prepared by adsorption from a dilute solution to 4.6 and 4.0 ns from samples prepared from more concentrated solutions. These decay times are about 50 % shorter than the fluorescence decay time of TCPP in ethanol.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"237 ","pages":"Article 112695"},"PeriodicalIF":4.1,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429809","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 : 2025-02-11DOI: 10.1016/j.dyepig.2025.112697
Dinghui Chen , Ke Li , Kang Le Osmund Chin , Xiang Yun Debbie Soo , Pin Jin Ong , Zhuang Mao Png , Qiang Zhu , Ming Hui Chua , Xizu Wang , Hong Meng , Wei Huang , Jianwei Xu
Fluorinated electron acceptors play a vital role in the development of conjugated polymers. They enhance electronic and optical properties by increasing electron affinity and improving charge transport characteristics. This work reports the synthesis of two fluorinated electron acceptors using an inverse electron demand Diels–Alder reaction, a type of click reaction, involving tetrazine with 1-ethynyl-4-fluorobenzene and 1-allyl-2,3,4,5,6-pentafluorobenzene, achieving yields of (73–82 %). One non-fluorinated polymer (P1) as a reference and two fluorinated polymers (P2 and P3) were prepared via the Stille polymerization. Notably, fluorinated polymer P2 showed better electrochromic device stability compared to the non-fluorinated polymer P1. The electrochromic devices exhibited coloration efficiencies of 196.97 cm2/C for P1, 519.49 cm2/C for P2, and 273.37 cm2/C for P3, suggesting that increased fluorination, either in the polymer backbone or in the side chains of conjugated polymers, likely contributes to the incremental increase in coloration efficiency. Polymer P2 demonstrated the best overall performance, with rapid switching times of 0.99 s for coloring, along with better cyclic stability than other two polymers. This study highlights that conjugated polymers modified with appropriate fluorine substituents can significantly enhance the performance of electrochromic devices.
{"title":"Fluorinated electron acceptors synthesized via an inverse electron demand Diels-Alder click reaction for electrochromic conjugated polymers","authors":"Dinghui Chen , Ke Li , Kang Le Osmund Chin , Xiang Yun Debbie Soo , Pin Jin Ong , Zhuang Mao Png , Qiang Zhu , Ming Hui Chua , Xizu Wang , Hong Meng , Wei Huang , Jianwei Xu","doi":"10.1016/j.dyepig.2025.112697","DOIUrl":"10.1016/j.dyepig.2025.112697","url":null,"abstract":"<div><div>Fluorinated electron acceptors play a vital role in the development of conjugated polymers. They enhance electronic and optical properties by increasing electron affinity and improving charge transport characteristics. This work reports the synthesis of two fluorinated electron acceptors using an inverse electron demand Diels–Alder reaction, a type of click reaction, involving tetrazine with 1-ethynyl-4-fluorobenzene and 1-allyl-2,3,4,5,6-pentafluorobenzene, achieving yields of (73–82 %). One non-fluorinated polymer (<strong>P1</strong>) as a reference and two fluorinated polymers (<strong>P2</strong> and <strong>P3</strong>) were prepared via the Stille polymerization. Notably, fluorinated polymer <strong>P2</strong> showed better electrochromic device stability compared to the non-fluorinated polymer <strong>P1</strong>. The electrochromic devices exhibited coloration efficiencies of 196.97 cm<sup>2</sup>/C for <strong>P1</strong>, 519.49 cm<sup>2</sup>/C for <strong>P2</strong>, and 273.37 cm<sup>2</sup>/C for <strong>P3</strong>, suggesting that increased fluorination, either in the polymer backbone or in the side chains of conjugated polymers, likely contributes to the incremental increase in coloration efficiency. Polymer <strong>P2</strong> demonstrated the best overall performance, with rapid switching times of 0.99 s for coloring, along with better cyclic stability than other two polymers. This study highlights that conjugated polymers modified with appropriate fluorine substituents can significantly enhance the performance of electrochromic devices.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"237 ","pages":"Article 112697"},"PeriodicalIF":4.1,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143444309","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 : 2025-02-11DOI: 10.1016/j.dyepig.2025.112693
Shicheng Liu , Du Chen , Fengxuan Zhang , Qiangqiang Zhao , Jinxin He , Xia Dong
Polylactic acid (PLA) is a promising green alternative for petroleum-based synthetic fibers, but the high-exhaustion dyeing of PLA is still an obstacle to its widespread application in textiles and therefore the development of disperse dye for PLA dyeing has been an urgent focus. Here, the exhaustion database of disperse dyes for PLA fiber from literatures and laboratory experiments was established to develop a machine learning model for predicting the dye exhaustion on PLA fiber, and the model was interpreted by Shapley Additive exPlanations (SHAP) and applied to pre-filtering out candidates with high-exhaustion that collected from literatures. It was found that the AUC of the constructed model in 10-fold stratified cross-validation and test set were 0.887 and 0.859, respectively. According to SHAP analysis, chain substructures such as the ester chain and alkyl chain are conducive to exhaustion while the cyan group (∗-CN) attached to the aromatic ring is unfavorable. In external application, the model maintained an AUC of 0.885, demonstrating excellent applicability and generalizability. Furthermore, 3 yellow dyes from 27 reported samples were screened out as worthy of high-exhaustion dyeing because of the shortage of yellow dyes for PLA fiber. This study provides a convenient way to develop high-performance dyes for new green fibers. All data and code are available from Github (https://github.com/Sixty-four-floor/Exhaustion-PLA).
{"title":"Machine learning assisted prediction of disperse dye exhaustion on polylactic acid fiber with interpretable model","authors":"Shicheng Liu , Du Chen , Fengxuan Zhang , Qiangqiang Zhao , Jinxin He , Xia Dong","doi":"10.1016/j.dyepig.2025.112693","DOIUrl":"10.1016/j.dyepig.2025.112693","url":null,"abstract":"<div><div>Polylactic acid (PLA) is a promising green alternative for petroleum-based synthetic fibers, but the high-exhaustion dyeing of PLA is still an obstacle to its widespread application in textiles and therefore the development of disperse dye for PLA dyeing has been an urgent focus. Here, the exhaustion database of disperse dyes for PLA fiber from literatures and laboratory experiments was established to develop a machine learning model for predicting the dye exhaustion on PLA fiber, and the model was interpreted by Shapley Additive exPlanations (SHAP) and applied to pre-filtering out candidates with high-exhaustion that collected from literatures. It was found that the AUC of the constructed model in 10-fold stratified cross-validation and test set were 0.887 and 0.859, respectively. According to SHAP analysis, chain substructures such as the ester chain and alkyl chain are conducive to exhaustion while the cyan group (∗-C<img>N) attached to the aromatic ring is unfavorable. In external application, the model maintained an AUC of 0.885, demonstrating excellent applicability and generalizability. Furthermore, 3 yellow dyes from 27 reported samples were screened out as worthy of high-exhaustion dyeing because of the shortage of yellow dyes for PLA fiber. This study provides a convenient way to develop high-performance dyes for new green fibers. All data and code are available from Github (<span><span>https://github.com/Sixty-four-floor/Exhaustion-PLA</span><svg><path></path></svg></span>).</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"237 ","pages":"Article 112693"},"PeriodicalIF":4.1,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429806","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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