Dyes and Pigments最新文献_第4页

Systematic development of quinolinium-based NIR probes for targeting subdomain IB region of human serum albumin 基于喹啉的人血清白蛋白IB亚区近红外探针的系统研制

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-30 DOI: 10.1016/j.dyepig.2025.113535

Yo-Cheng Chang , Shang-Wei Lin , Yu-Cing Wu , Pin-Han Lin , Yi-Jen Chen , Wei-Min Liu

Human Serum albumin (HSA), the most abundant serum protein in blood plasma, plays a crucial role as a transport protein for both endogenous metabolites and exogenous drugs, making it essential for understanding drug pharmacokinetics. Among various analytical methods, fluorescent probe technology stands out as a powerful tool for analysing the binding sites and binding characteristics of drugs-HSA interactions. However, most reported fluorescent probes bind exclusively to either subdomain IIA or subdomain IIIA of HSA, significantly limiting their applicability. In this study, a series of fluorogenic probes featuring a donor-π-acceptor (D-π-A) system was systematically explored. We found that probes containing a quinolinium moiety target the subdomain IB region of HSA and demonstrate good selectivity towards HSA. This observation also agrees with our computational studies. Notably, enhancing the lipophilicity of the acceptor moiety, rather than increasing the steric hindrance of the donor, improved both selectivity and binding affinity toward HSA. Among the developed probes, HSAtag-3-14C exhibited a remarkable fluorescence enhancement (∽2000-fold) upon binding to HSA, with emission in the near-infrared region. The dissociation constant of HSAtag-3-14C was determined to be 17.8 ± 2.6 μM at 25 °C, and its limit of detection was 0.28 ± 0.01 nM. In addition, MD simulations were performed to investigate interactions between the HSAtag-3 series and HSA. The binding of HSAtag-3-14C is predominantly driven by hydrophobic interactions, with a nonpolar pocket formed by Leu115, Pro118, and Ile142 providing a favorable environment for stabilizing the aliphatic chain. In contrast, HSAtag-3 binding is mainly governed by electrostatic interactions. These results suggest that extending the alkyl chain length is an effective strategy to enhance HSA binding affinity, consistent with its role as a fatty acid–binding protein.

人血清白蛋白（Human Serum albumin， HSA）是血浆中含量最多的血清蛋白，是内源性代谢物和外源性药物的转运蛋白，对了解药物的药代动力学至关重要。在各种分析方法中，荧光探针技术是分析药物- hsa相互作用结合位点和结合特性的有力工具。然而，大多数报道的荧光探针只能结合HSA的IIA或IIIA亚域，这大大限制了它们的适用性。本研究系统探索了一系列具有供体-π-受体（D-π-A）体系的荧光探针。我们发现含有喹啉基团的探针靶向HSA的IB亚结构域，并对HSA表现出良好的选择性。这一观察结果也与我们的计算研究相一致。值得注意的是，增强受体部分的亲脂性，而不是增加供体的空间位阻，提高了对HSA的选择性和结合亲和力。在所研制的探针中，HSAtag-3-14C与HSA结合后，荧光增强（∽2000倍），并在近红外区发射。测定HSAtag-3-14C在25℃下的解离常数为17.8±2.6 μM，检出限为0.28±0.01 nM。此外，进行了MD模拟以研究HSAtag-3系列与HSA之间的相互作用。HSAtag-3-14C的结合主要由疏水相互作用驱动，由Leu115、Pro118和Ile142形成的非极性口袋为稳定脂肪链提供了有利的环境。相比之下，HSAtag-3的结合主要受静电相互作用支配。这些结果表明，延长烷基链长度是提高HSA结合亲和力的有效策略，这与它作为脂肪酸结合蛋白的作用是一致的。

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引用次数: 0

Spectroscopic and theoretical investigations of donor–π–acceptor–donor architectured cyclometalated iridium(III) and ruthenium(II) complexes in photocatalytic hydrogen generation 光催化制氢中给体- π -受体-给体结构环金属化铱（III）和钌（II）配合物的光谱和理论研究

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-29 DOI: 10.1016/j.dyepig.2025.113533

Xiao Yao , Yudong Wen , Linyu Fan , Zesheng Zhang , Silong Li , Zhuwu Jiang , Jinfeng Chen , Cheuk-Lam Ho , Mingqiang Kang

Unlocking the full potential of solar-driven hydrogen production hinges on the development of next-generation photosensitizers that combine efficiency, stability, and environmental compatibility. Here, we introduce a new class of cyclometalated iridium(III) and ruthenium(II) complex-es, meticulously engineered with a donor–π–acceptor–donor (D–π–A–D) molecular framework. By integrating triphenylamine-based donor motifs and extended π-conjugation, alongside strategically tailored anchoring groups, these complexes transcend conventional photosensitizer de-sign—enabling high light-harvesting capabilities, robust interfacial coupling with TiO₂, and accelerated charge separation dynamics. Advanced spectroscopic, electrochemical, and DFT investigations reveal that the D–π–A–D architecture not only amplifies visible-light absorption but also facilitates efficient electron injection into semiconductor interfaces. Notably, iridium(III) complexes equipped with phosphonate anchors achieve a maximum turnover number (TON) of 19,182 for photocatalytic hydrogen evolution under blue LED illumination. Beyond efficiency, these photosensitizers exhibit remarkable operational durability and minimal ecological impact, charting a path toward scalable, sustainable hydrogen generation. These findings underscore the considerable potential of D–π–A–D cyclometalated metal complexes, equipped with optimized anchoring groups, to function as robust photosensitizers for sustainable solar-driven hydrogen production.

释放太阳能驱动制氢的全部潜力取决于下一代光敏剂的发展，这种光敏剂结合了效率、稳定性和环境兼容性。在这里，我们介绍了一类新的环金属化铱（III）和钌（II）配合物，精心设计了一个供体- π -受体-供体（D -π-A-D）分子框架。通过整合基于三苯胺的给体基序和扩展π共轭，以及精心定制的锚定基团，这些配合物超越了传统的光敏剂设计，实现了高光收集能力，与TiO2的强大界面耦合，加速了电荷分离动力学。先进的光谱、电化学和DFT研究表明，D -π-A-D结构不仅可以放大可见光吸收，还可以促进半导体界面的有效电子注入。值得注意的是，在蓝色LED照明下，配备磷酸盐锚点的铱（III）配合物的光催化析氢的最大周转量（TON）为19,182。除了效率之外，这些光敏剂还表现出卓越的操作耐久性和最小的生态影响，为可扩展、可持续的制氢指明了道路。这些发现强调了具有优化锚定基团的D -π-A-D环金属化金属配合物作为可持续太阳能驱动制氢的强大光敏剂的巨大潜力。

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引用次数: 0

Promoting DNA alkylation of hypoxia-activated molecular prodrug for cooperative precision photodynamic-chemotherapy 促进缺氧激活分子前体药物DNA烷基化的协同精确光动力化疗

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-29 DOI: 10.1016/j.dyepig.2025.113532

Yang Zou , Xinmeng Yu , Manqing Wu , Shuang E , Yang Xuan , Yinan Zhao , Jiangli Fan , Shubiao Zhang

The combination of photodynamic therapy (PDT) and chemotherapy is a promising strategy to improve the effect of tumor treatment. However, the existing construction systems have insufficient killing selectivity and unclear synergistic mechanism. Herein, we developed a novel anticancer strategy based on a hypoxia-activated molecular prodrug (Cy-NM), which was formed by the covalent connection of an alkylating agent (NM) and a photodynamic photosensitizer (Cy-NH₂), to achieve cooperative precision photodynamic-chemotherapy. Cy-NM with positive charge could structure-inherent targeting (SIT) to tumors and localized to the mitochondria of cancer cells. Under the action of azo reductase, Cy-NM was converted into Cy-NH₂, thereby enhancing the photodynamic effect through the intramolecular charge transfer (ICT) effect and releasing NM. PDT consumed oxygen to further exacerbate tumor hypoxia and promote drug release, while the released drugs enhanced the photodynamic damage to mitochondria. The two treatments exhibited a synergistic promotion effect, achieving more effective and selective in killing cancer cells. Moreover, the fluorescence of Cy-NM changed from “off” to “on” after activation, which realized precise fluorescence diagnosis and visual treatment of tumors. Therefore, this prodrug design strategy offers a new perspective for improving the accuracy and efficiency of tumor treatment.

光动力疗法（PDT）与化疗相结合是提高肿瘤治疗效果的一种有前景的策略。然而，现有的构建体系杀灭选择性不足，协同机制不明确。在此，我们开发了一种新的基于缺氧激活的分子前药（Cy-NM）的抗癌策略，该策略是由烷基化剂（NM）和光动力光敏剂（Cy-NH2）的共价连接形成的，以实现协同精确光动力化疗。带正电荷的Cy-NM具有结构固有靶向肿瘤的功能，定位于癌细胞的线粒体。在偶氮还原酶的作用下，Cy-NM被转化为Cy-NH2，从而通过分子内电荷转移（ICT）效应增强光动力效应，释放NM。PDT消耗氧气，进一步加剧肿瘤缺氧，促进药物释放，而释放的药物则增强了对线粒体的光动力损伤。两种治疗方法表现出协同促进作用，对癌细胞的杀伤更有效、选择性更强。并且Cy-NM激活后荧光由“灭”变为“亮”，实现了肿瘤的精确荧光诊断和视觉治疗。因此，这种前药设计策略为提高肿瘤治疗的准确性和效率提供了新的视角。

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引用次数: 0

Breaking the lifetime-efficiency trade-off in blue organic room-temperature phosphorescence through site-directed boronate engineering 通过定点硼酸工程打破蓝色有机室温磷光的寿命效率权衡

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-29 DOI: 10.1016/j.dyepig.2025.113534

Dong Ding , Xinyue Xu , Jing Lv , Feng Li , Deyu Liu , Erkin Zakhidov , Mingliang Sun

Organic room-temperature phosphorescent (RTP) materials with tunable lifetimes are of great interest for information display, anti-counterfeiting, and data storage. However, achieving both ultralong lifetimes and high quantum yields, particularly in the blue region, remains challenging due to their inherent trade-off. Herein, a site-dictated strategy is employed by introducing pinacol boronate ester (Bpin) groups at the 1-, 2-, and 4-positions of a carbazole scaffold (CZ1B, CZ2B, and CZ4B), and embedding the resulting phosphors into a poly(vinyl alcohol) (PVA) matrix. All three emitters exhibit visible blue RTP with tunable lifetimes ranging from 3.96 s (CZ1B) to 5.20 s (CZ2B)—among the longest reported—along with high phosphorescence quantum yields (17.94–26.95 %). Combined theoretical and experimental studies reveal that Bpin substitution site affects excited-state characteristics, spin–orbit coupling, and hydrogen-bonding interactions with the PVA host. Notably, CZ2B shows optimal excited-state separation, highest surface electrostatic potential, and strongest hydrogen bonding, leading to superior RTP performance. This study presents a precise structural approach to modulate both phosphorescence lifetime and efficiency, offering valuable insight for the development of long-lived blue RTP materials in advanced optical applications such as data storage and visual encryption.

具有可调寿命的有机室温磷光（RTP）材料在信息显示、防伪和数据存储方面具有重要意义。然而，实现超长寿命和高量子产率，特别是在蓝色区域，由于它们固有的权衡，仍然具有挑战性。本文采用位点决定策略，在咔唑支架（CZ1B、CZ2B和CZ4B）的1-、2-和4-位置上引入吡纳酚硼酸酯（Bpin）基团，并将所得荧光粉嵌入聚乙烯醇（PVA）基质中。所有三种发射体都显示出可见的蓝色RTP，其可调寿命范围从3.96 s （CZ1B）到5.20 s (CZ2B) -在报道的最长寿命中-以及高磷光量子产率（17.94 - 26.95%）。理论和实验相结合的研究表明，Bpin取代位点影响了PVA宿主的激发态特性、自旋轨道耦合以及与PVA宿主的氢键相互作用。值得注意的是，CZ2B具有最佳的激发态分离、最高的表面静电势和最强的氢键，从而具有优异的RTP性能。本研究提出了一种精确的结构方法来调节磷光寿命和效率，为在数据存储和视觉加密等先进光学应用中开发长寿命蓝色RTP材料提供了有价值的见解。

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引用次数: 0

Colorimetric and fluorometric Seleno-BODIPY sensor for selective palladium detection in solution and on a cotton swab platform 比色和荧光硒- bodipy传感器选择性钯检测在溶液和棉签平台

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-29 DOI: 10.1016/j.dyepig.2025.113530

Beatriz S. Cugnasca , Ana Beatriz R. Guimarães , César A.G. Dantas , Francisco W.M. Ribeiro , Milene Hornink , Iolanda M. Cuccovia , Hélio A. Stefani , Ataualpa A.C. Braga , Thiago C. Correra , Carlos Lodeiro , Alcindo A. Dos Santos

The fluorescent sensor based on Seleno-BODIPY (BDP-Se) was explored for the detection of palladium in samples of industrial and environmental interest. Colorimetric and fluorometric analyses were conducted, and the sensor demonstrated high selectivity for Pd²⁺ relative to 21 other cations, as well as high sensitivity (LOD = 0.31 μmol/L by fluorescence) in a turn-on fluorescence process. Quantification of Pd²⁺ in aliquots from palladium-catalyzed coupling reaction media yielded satisfactory recovery values (up to 87 %). This demonstrates the sensor's applicability and good accuracy for Pd²⁺ detection in industrial organic environments, avoiding the need for sophisticated sample preparation methods. The structures of the products obtained from the reaction of BDP-Se with PdCl₂ (BDP-Se/PdCl₂) or PdBr₂ (BDP-Se/PdBr₂) were characterized by mass analysis, confirming the insertion of the “PdCl” or “PdBr” fragment, respectively, into the BODIPY structure via oxidative addition. Theoretical DFT calculations were performed to demonstrate the stability of the proposed structure, and the theoretical absorption spectrum corroborated the experimental results. Furthermore, BDP-Se was incorporated into a novel cotton swab-based device for palladium detection in aqueous solutions (with up to 60 % water), demonstrating its applicability in the solid state.

基于硒- bodipy （BDP-Se）的荧光传感器用于工业和环境样品中钯的检测。比色和荧光分析表明，该传感器在开启荧光过程中对Pd2+具有较高的选择性（相对于其他21种阳离子），灵敏度高（荧光LOD = 0.31 μmol/L）。定量分析钯催化偶联反应介质等分液中Pd2+的回收率（高达87%）令人满意。这证明了该传感器在工业有机环境中对Pd2+检测的适用性和良好的准确性，避免了对复杂的样品制备方法的需要。BDP-Se与PdCl2 （BDP-Se/PdCl2）或PdBr2 （BDP-Se/PdBr2）反应产物的结构通过质谱分析进行了表征，证实了“PdCl”或“PdBr”片段分别通过氧化加成插入到BODIPY结构中。理论DFT计算证明了所提出结构的稳定性，理论吸收光谱证实了实验结果。此外，BDP-Se被整合到一种新型的基于棉签的设备中，用于在水溶液（含高达60%的水）中检测钯，证明了其在固态中的适用性。

{"title":"Colorimetric and fluorometric Seleno-BODIPY sensor for selective palladium detection in solution and on a cotton swab platform","authors":"Beatriz S. Cugnasca , Ana Beatriz R. Guimarães , César A.G. Dantas , Francisco W.M. Ribeiro , Milene Hornink , Iolanda M. Cuccovia , Hélio A. Stefani , Ataualpa A.C. Braga , Thiago C. Correra , Carlos Lodeiro , Alcindo A. Dos Santos","doi":"10.1016/j.dyepig.2025.113530","DOIUrl":"10.1016/j.dyepig.2025.113530","url":null,"abstract":"<div><div>The fluorescent sensor based on Seleno-BODIPY (<strong>BDP-Se</strong>) was explored for the detection of palladium in samples of industrial and environmental interest. Colorimetric and fluorometric analyses were conducted, and the sensor demonstrated high selectivity for Pd<sup>2+</sup> relative to 21 other cations, as well as high sensitivity (LOD = 0.31 μmol/L by fluorescence) in a turn-on fluorescence process. Quantification of Pd<sup>2+</sup> in aliquots from palladium-catalyzed coupling reaction media yielded satisfactory recovery values (up to 87 %). This demonstrates the sensor's applicability and good accuracy for Pd<sup>2+</sup> detection in industrial organic environments, avoiding the need for sophisticated sample preparation methods. The structures of the products obtained from the reaction of <strong>BDP-Se</strong> with PdCl<sub>2</sub> (<strong>BDP-Se/PdCl<sub>2</sub></strong>) or PdBr<sub>2</sub> (<strong>BDP-Se/PdBr<sub>2</sub></strong>) were characterized by mass analysis, confirming the insertion of the “PdCl” or “PdBr” fragment, respectively, into the BODIPY structure via oxidative addition. Theoretical DFT calculations were performed to demonstrate the stability of the proposed structure, and the theoretical absorption spectrum corroborated the experimental results. Furthermore, <strong>BDP-Se</strong> was incorporated into a novel cotton swab-based device for palladium detection in aqueous solutions (with up to 60 % water), demonstrating its applicability in the solid state.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"248 ","pages":"Article 113530"},"PeriodicalIF":4.2,"publicationDate":"2025-12-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145882935","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}

引用次数: 0

A novel fluorescent probe for real-time in vivo imaging of LACTB activity in acute lung injury 一种用于急性肺损伤中乳酸泌乳酶活性实时体内成像的新型荧光探针

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-27 DOI: 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.

急性肺损伤（ALI）是一种严重的呼吸系统疾病，其特征是气体交换受损、炎症和细胞外基质（ECM）过度沉积。目前的成像技术在早期发现和监测这些疾病方面仍然有限。本研究介绍了一种近红外荧光探针HD-LACTB，该探针是通过将lactb靶向单元与结构优化的半花青素染料偶联而成的。与现有试剂相比，该探针具有高特异性、敏感性、快速反应和增强的深部组织成像性能。它还可以实现线粒体靶向细胞内成像，允许实时可视化ALI进展和治疗期间的LACTB动态。在细胞模型中，HD-LACTB通过荧光强度检测与疾病严重程度相对应的LACTB表达水平。在小鼠模型中，它非侵入性地跟踪治疗效果，支持其用于评估干预措施的效用。HD-LACTB通过提供一种敏感的、非侵入性的工具来实时监测疾病进展和治疗反应，从而促进改善临床决策和患者预后，从而解决了早期诊断的关键需求。

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引用次数: 0

Visible and blue LED irradiation-assisted one-step synthesis of novel organoboron heterocycles as cell imaging agents 可见光和蓝光LED辅助一步合成新型有机硼杂环细胞显像剂

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-26 DOI: 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.

在这项工作中，我们已经证明了蓝光和可见光LED照射促进了有机硼酯的合成，在30分钟内以接近定量的产量完成。它们的x射线结构表明硼原子呈扭曲的四面体几何形状，芳基硼酸的芳基取代基沿垂直轴呈不对称硼中心。在溶液中分析了它们的光稳定性，发现1和2在四面体硼原子上具有轴向取代甲基，与它们的衍生物相比具有更好的稳定性。进行了理论计算，以深入了解晶体结构中的结构和超分子结合。有趣的是，这些化合物表现出良好的溶解度和高生物相容性，使它们成为生物和生物医学科学中有前景的荧光染料。此外，化合物2、3和4在对C33A宫颈癌细胞系的检测中显示出强烈的、无害的绿色荧光，这突出了它们在生物过程研究中的潜在用途。

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引用次数: 0

Host-guest approach to promote the generation of superoxide anion radicals and photocatalytic oxidations performance in water 主-客体方法促进超氧阴离子自由基的生成和光催化氧化性能

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-25 DOI: 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.

开发新型光敏剂来提高水介质中ROS的生成能力和光催化效率是非常重要的，但也具有挑战性。本文通过β-环糊精（β-CD）和AIEgen （TT-Py）之间的超分子组装，在水介质中成功建立了一个典型D-π-A构型的AIEgen阳离子超氧阴离子自由基生成体系。在AIEgen中加入单个电荷不仅可以增强其水溶性，还可以促进分子内电荷转移，从而促进ROS的生成。此外，TT-Py还能与β-CD在水溶液中形成超分子复合物TT-Py∧β-CD。值得注意的是，超分子复合物TT-Py∧β-CD显示出荧光发射的显著增加，以及ROS生成的显著增强，这主要归因于超氧阴离子自由基（O2•-）的生成增加，其可用于芳基硼酸和硫代苯甲醚的氧化，以及从苯甲醇到醛的光氧化。这些发现证明了超分子AIEgens作为驱动水介质光催化氧化过程的有希望的候选者的可行性。

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引用次数: 0

Position- and quantity-dependent modulation of acceptor in porphyrin-based nanohoops: Strengthening charge transfer and nonlinear optical properties 卟啉基纳米环中受体的位置和数量依赖性调制：加强电荷转移和非线性光学性质

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-24 DOI: 10.1016/j.dyepig.2025.113526

Xin-tong Li , Xiao Huang , Feng-wei Gao , Hong-liang Xu

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.

碳纳米结构是碳基材料中一类典型的分子纳米结构。由于其独特的π共轭结构和优异的光电性能，新型碳纳米结构的发现和创造为推进分子纳米碳科学的发展提供了一条很好的途径。理论研究预测，将特定的结构基序结合到环对苯炔（CPP）框架中可以产生令人着迷的物理和化学性质。本文报道了一种基于卟啉的纳米环，其中卟啉锌（ZnP）部分与苯并双噻二唑（BBT）受体被整合到CPP结构中。有意义的是，ZnP、BBT和CPP基团之间的协同电子离域显著增强了卟啉基纳米环的光学特性。利用密度泛函理论（DFT）系统地设计了一系列基于卟啉的纳米环，并通过改变BBT片段的位置和增加BBT片段的数量对其进行了研究。有趣的是，BBT部分的空间位置和数量对NLO性质的调节起着关键作用，BBT部分数量的变化导致了第一超极化率的显著增强。此外，我们使用超极化单位球表示（USR）和超瑞利散射（HRS）分析技术来更好地理解系统的NLO特性。值得注意的是，激发态的时间依赖密度泛函理论（TD-DFT）计算表明，不同的电荷转移特征与非线性光学性质具有显著的相关性。因此，纳米环骨架上BBT单元的数量和位置调节着分子内电荷转移特性和NLO特性。本研究提出了基于卟啉纳米环构建高性能非线性光学器件的新设计概念，为材料的光学响应机制提供了重要的理论见解。

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引用次数: 0

Multifunctional application of a sulfadiazine azo dye as electrochemical sensor, corrosion inhibitor, and forensic imaging agent 磺胺嘧啶偶氮染料作为电化学传感器、缓蚀剂和法医成像剂的多功能应用

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-24 DOI: 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.

本研究采用合成磺胺嘧啶-间苯二酚偶氮染料（SRAD）修饰碳糊电极，建立了一种同时测定扑热息痛（PR）和色氨酸（TR）的电化学传感器。通过重氮偶联反应合成了SRAD化合物，并利用光谱技术对其分子结构进行了确证。电化学表征表明，磺胺嘧啶-间苯二酚偶氮染料修饰碳膏电极（SRAD/MCPE）具有良好的同时定量PR和TR的性能，该传感器具有较低的检出限（PR为7.9 μM， TR为4.11 μM），具有良好的重复性和稳定性。系统优化了pH、扫描速率、干扰效果等操作参数。同时，SRAD在酸性介质中对低碳钢表现出明显的缓蚀效果，是一种良好的缓蚀剂，具有自发的Langmuir吸附行为。SEM表面分析证实了保护膜的形成。此外，SRAD的应用还扩展到法医科学，在常规和紫外线照射下，该方法成功地可视化了I级和II级潜在指纹特征。

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