Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy最新文献

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Role of human γD-crystallin tryptophans in the ultraviolet radiation response 人类 γD 晶体蛋白色氨酸在紫外线辐射反应中的作用
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-09 DOI: 10.1016/j.saa.2025.126197
Yissell Borges-Rodríguez , Fernanda Mata-Salgado , Rodrigo Morales-Cueto , Cesar Millan-Pacheco , Carlos Muñoz-Garay , Lina Rivillas-Acevedo
{"title":"Role of human γD-crystallin tryptophans in the ultraviolet radiation response","authors":"Yissell Borges-Rodríguez ,&nbsp;Fernanda Mata-Salgado ,&nbsp;Rodrigo Morales-Cueto ,&nbsp;Cesar Millan-Pacheco ,&nbsp;Carlos Muñoz-Garay ,&nbsp;Lina Rivillas-Acevedo","doi":"10.1016/j.saa.2025.126197","DOIUrl":"10.1016/j.saa.2025.126197","url":null,"abstract":"<div><div>Cataracts are the leading cause of reversible blindness worldwide, primarily associated with the aggregation of proteins such as γ-crystallins, which are essential for maintaining lens transparency. Among these, human γD-crystallin (HγD) contains four conserved tryptophans, hypothesized to act as a protective mechanism against ultraviolet (UV) radiation. This study investigated the effects of low-dose UV-B radiation on HγD and its variants, in which each tryptophan was replaced by phenylalanine. The substitutions did not significantly affect the protein’s secondary or tertiary structure but markedly reduced thermal stability, particularly in the W42F mutant. Aggregation kinetics were accelerated in all variants, with pronounced increases observed in the W130F and W156F mutants. Molecular dynamics simulations revealed that these substitutions disrupt hydrophobic interactions in both the N- and C-terminal domains, promoting instability and enhancing aggregation propensity. UV radiation induced chemical modifications, where Trp42 and Trp130 were the most affected, further driving aggregation. Changes in fluorescence spectra after UV exposure indicated the breakdown of the tryptophan indole ring and the formation of degradation products. These results confirm that tryptophans in HγD serve a crucial protective role against UV-induced damage by preserving structural stability and minimizing aggregation.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"338 ","pages":"Article 126197"},"PeriodicalIF":4.3,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
An integrated, portable sensing platform made with surface-immobilized fluorophore-appended silver nanotriangles for bimodal detection of mercury(II) ions 一种集成的便携式传感平台,由表面固定的附加荧光团的银纳米三角形制成,用于汞(II)离子的双峰检测
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-09 DOI: 10.1016/j.saa.2025.126192
Rajeev Kumar Shandilya, Aniruddha Paul, Suvankar Dasgupta
{"title":"An integrated, portable sensing platform made with surface-immobilized fluorophore-appended silver nanotriangles for bimodal detection of mercury(II) ions","authors":"Rajeev Kumar Shandilya,&nbsp;Aniruddha Paul,&nbsp;Suvankar Dasgupta","doi":"10.1016/j.saa.2025.126192","DOIUrl":"10.1016/j.saa.2025.126192","url":null,"abstract":"<div><div>A novel, yet simple and portable, sensing platform has been developed by using silver nanotriangles immobilized on a glass substrate and capped with an optical marker, which, just by dipping in an analyte solution in presence of iodide, can detect mercury (Hg<sup>2+</sup>) ions by both colorimetric and fluorometric detection modes. This method, which is highly selective for the Hg<sup>2+</sup> ions, relies on the superior binding affinity of the Hg<sup>2+</sup> with the thiolated ligand, whereby the ligands were extracted from the nanotriangle surfaces exposing them to etching by iodides present in solution. The resulting change in morphology of the surface-bound nanotriangles was manifested in terms of the optical responses by nanoparticles, leading to the colorimetric detection of the analyte in the nanomolar level. The ligands released in solution due to abstraction by Hg<sup>2+</sup> allowed fluorometric detection due to the change in emission spectra of these free ligands, offering a unique bimodal sensing of the analyte. A comparison of the substrate-based sensing protocol with conventional solution-based study gave a better insight into the sensing event, helped in optimizing the sensing conditions and emphasized the diverse application potential of the current surface-immobilized sensing system. Our developed sensory platform not only offers easy portability and a bimodal sensing detection, it also the demonstrates an unprecedented wide-range of detection (0.1–10 μM) of Hg<sup>2+</sup> ions while maintaining high sensitivity and selectivity for the analyte.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"338 ","pages":"Article 126192"},"PeriodicalIF":4.3,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143816120","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Superior peroxidase-like activities of InVO4 hollow nanocuboid assemblies for colorimetric detection of hydrogen peroxide and glucose 利用InVO4中空纳米立方体组件比色法检测过氧化氢和葡萄糖的过氧化物酶样活性
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-09 DOI: 10.1016/j.saa.2025.126195
Juna Chen , Jingfei Hu , Jingtian Chi , Peng Hou , Wanwan Zhang , Yishan Jiang , Xiaofan Zhai , Peng Ju
{"title":"Superior peroxidase-like activities of InVO4 hollow nanocuboid assemblies for colorimetric detection of hydrogen peroxide and glucose","authors":"Juna Chen ,&nbsp;Jingfei Hu ,&nbsp;Jingtian Chi ,&nbsp;Peng Hou ,&nbsp;Wanwan Zhang ,&nbsp;Yishan Jiang ,&nbsp;Xiaofan Zhai ,&nbsp;Peng Ju","doi":"10.1016/j.saa.2025.126195","DOIUrl":"10.1016/j.saa.2025.126195","url":null,"abstract":"<div><div>In this work, InVO<sub>4</sub> hollow nanocuboid assemblies (IVHNs) with larger specific surface area were synthesized by a facile one-pot hydrothermal method, which were utilized as artificial biomimetic catalysts. In the presence of hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>), the IVHNs nanozyme enchantingly displayed an extraordinary peroxidase-like performance, inducing the oxidation of the chromogenic compound 3,3′,5,5′-tetramethylbenzidine (TMB) to generate a blue oxide. Kinetics analysis unequivocally demonstrated that the catalytic behavior of IVHNs conformed to the Michaelis-Menten mechanism, and ·O<sub>2</sub><sup>−</sup> radicals played a vital role in the catalytic process according to the active species capture experiments. Given the exceptional catalytic performance of IVHNs, a colorimetric sensing platform was successfully established for rapid and accurate detection of H<sub>2</sub>O<sub>2</sub> and glucose. The concentrations of H<sub>2</sub>O<sub>2</sub> and glucose were positively correlated with the absorbance of TMB oxide in the linear ranges of 1–25 μM and 10–100 μM with the detection limit of 0.092 μM and 0.96 μM, respectively. Enriched by its exquisite stability, selectivity, and anti-interference ability, the colorimetric sensing system bestowed its success upon qualitative detection of H<sub>2</sub>O<sub>2</sub> and glucose in real samples. This study not only unveils a novel nanozyme boasting remarkably efficient catalytic prowess, but also pioneers a rapid and straightforward approach for environmental analysis and clinical diagnosis.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"338 ","pages":"Article 126195"},"PeriodicalIF":4.3,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143808822","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of extracorporeal circulation on structure of main components of animal plasma – ATR-IR and 2D-COS studies. Part II: Presence of antithrombotic drugs 体外循环对动物血浆主要成分结构的影响——ATR-IR和2D-COS研究。第二部分:抗血栓药物的存在
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-09 DOI: 10.1016/j.saa.2025.126185
S. Olsztyńska-Janus , M.A. Czarnecki
{"title":"Effect of extracorporeal circulation on structure of main components of animal plasma – ATR-IR and 2D-COS studies. Part II: Presence of antithrombotic drugs","authors":"S. Olsztyńska-Janus ,&nbsp;M.A. Czarnecki","doi":"10.1016/j.saa.2025.126185","DOIUrl":"10.1016/j.saa.2025.126185","url":null,"abstract":"<div><div>An application of extracorporeal circulation (ECC) requires using antithrombotic drugs to maintain blood fluidity and prevent thrombotic complications. The molecular mechanism of this process is not fully elucidated; therefore, we undertook an examination of the effect of antithrombotic drugs (aspirin and clopidogrel) on changes in the structure of the main plasma components during ECC. The spectral variations were monitored using ATR-IR (Attenuated Total Reflection Infrared) spectroscopy and analyzed by moving-window approach and two-dimensional correlation spectroscopy (2D-COS). For samples subjected to anticoagulant therapy, we observed a much higher extent of spectral changes, as compared with the control samples. The most significant changes were observed for the bands from water and amide moieties. The obtained results demonstrate high sensitivity and reliability of ATR-IR spectroscopy coupled with advanced numerical analysis for monitoring variations in the structure and composition of blood plasma during ECC.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"338 ","pages":"Article 126185"},"PeriodicalIF":4.3,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143815431","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Vibrational spectroscopy investigation of ternary co-crystal formation of nitrofurantoin, nicotinamide and fumaric acid 呋喃妥英、烟酰胺和富马酸三元共晶形成的振动光谱研究
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-09 DOI: 10.1016/j.saa.2025.126215
Ruizhao Yang , Xiaoqi Chen , Huiping Wu , Wanting Pang , Xiaoliu Zeng , Xianyi Huang , Quanfu Li , Tinghui Li , Binyi Qin
{"title":"Vibrational spectroscopy investigation of ternary co-crystal formation of nitrofurantoin, nicotinamide and fumaric acid","authors":"Ruizhao Yang ,&nbsp;Xiaoqi Chen ,&nbsp;Huiping Wu ,&nbsp;Wanting Pang ,&nbsp;Xiaoliu Zeng ,&nbsp;Xianyi Huang ,&nbsp;Quanfu Li ,&nbsp;Tinghui Li ,&nbsp;Binyi Qin","doi":"10.1016/j.saa.2025.126215","DOIUrl":"10.1016/j.saa.2025.126215","url":null,"abstract":"<div><div>Pharmaceutical co-crystal technology, characterized by its green, simple, efficient, and potent nature, offers unique advantages in optimizing the pharmacological and physicochemical properties of drugs, thus providing an innovative strategy for the development of drug formulations. In this study, we successfully synthesized the nitrofurantoin-nicotinamide-fumaric acid co-crystal using dry grinding and comprehensively characterized it using vibrational spectroscopy techniques. PXRD spectral analysis indicates that the synthesized co-crystal is not merely a reproduction of the individual components or a product of physical mixing of the three, but represents the formation of a novel crystalline phase. This finding is further supported by results from terahertz (THz) spectroscopy and Raman vibrational spectroscopy. Infrared spectroscopy analysis suggests the formation of a co-crystalline structure among nitrofurantoin, nicotinamide, and fumaric acid molecules, mediated by hydrogen bonding interactions. In addition, this study used density functional theory (DFT) to optimize the co-crystal structure, thoroughly investigated key characteristics Hirshfeld surfaces and hydrogen bonds among other weak intermolecular interactions, and successfully determined the corresponding vibrational modes. These research outcomes not only substantiate the structural and intermolecular interactional intricacies within the nitrofurantoin-nicotinamide-fumaric acid co-crystal, but also provide a treasure of co-crystal structural insights for tailoring the physicochemical properties and pharmacological activities of specific drugs at the molecular level, with significant scientific value and application potential.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"338 ","pages":"Article 126215"},"PeriodicalIF":4.3,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143825862","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The binding investigation of ziprasidone with calf thymus DNA by multiple spectrums and molecular docking 齐拉西酮与小牛胸腺DNA结合的多光谱及分子对接研究
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-08 DOI: 10.1016/j.saa.2025.126217
Xiao-Yun Li, Xue-Chao Wang, Ruo-Hui Gao, Xiao-Juan Chen, Jing-Jing Lu
{"title":"The binding investigation of ziprasidone with calf thymus DNA by multiple spectrums and molecular docking","authors":"Xiao-Yun Li,&nbsp;Xue-Chao Wang,&nbsp;Ruo-Hui Gao,&nbsp;Xiao-Juan Chen,&nbsp;Jing-Jing Lu","doi":"10.1016/j.saa.2025.126217","DOIUrl":"10.1016/j.saa.2025.126217","url":null,"abstract":"<div><div>Ziprasidone (<strong>Zi</strong>) is a 2-indolone drug that has been recommended as first-line medication for schizophrenic treatment by major guides of China and America. In this paper, the binding mode of <strong>Zi</strong> and calf thymus (ctDNA) was investigated for the first time. Fluorescence spectrum studies preliminary verified that <strong>Zi</strong> bound to groove region of ctDNA. UV–vis spectra showed obvious hyperchromicity at 260 nm for ctDNA-<strong>Zi</strong> system compared to the absorption sum of ctDNA and <strong>Zi</strong>, which also could be concluded that the interaction mode of <strong>Zi</strong> to ctDNA was probably groove binding. In <sup>1</sup>H NMR of <strong>Zi</strong>, the addition of ctDNA had no influence on its spectrum, and the viscosity of ctDNA was also unaffected by the addition of <strong>Zi</strong>. These phenomenon proved once again that <strong>Zi</strong> interacted with ctDNA at groove region. Besides, molecular docking results reflected that <strong>Zi</strong> indeed bound to minor groove region of ctDNA with hydrogen bonds as main acting force. This study elaborated detailedly the groove binding mode of antipsychotic drug <strong>Zi</strong> interacting with ctDNA, and provided effective information for the design and development of new-type antipsychotic drugs.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"338 ","pages":"Article 126217"},"PeriodicalIF":4.3,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143815510","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A new bioluminescent probe for detecting formaldehyde in real food samples 一种新型生物发光探针用于检测真实食品样品中的甲醛
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-08 DOI: 10.1016/j.saa.2025.126210
Ziyao Chen , Jie Zhong , Zhangyan Zhu , Chunmei Li , Zhenquan Su , Wenjun Li , Xianggui Chen , Shan Qian
{"title":"A new bioluminescent probe for detecting formaldehyde in real food samples","authors":"Ziyao Chen ,&nbsp;Jie Zhong ,&nbsp;Zhangyan Zhu ,&nbsp;Chunmei Li ,&nbsp;Zhenquan Su ,&nbsp;Wenjun Li ,&nbsp;Xianggui Chen ,&nbsp;Shan Qian","doi":"10.1016/j.saa.2025.126210","DOIUrl":"10.1016/j.saa.2025.126210","url":null,"abstract":"<div><div>Formaldehyde (FA) is an important type of reactive carbonyl species (RCS). The development of a rapid and efficient method to quantify FA in food and biological samples is necessary. Herein, we have developed the first bioluminescent probe FA-Fluc with homoallyl amine to cage firefly <em>D</em>-luciferin (Fluc), which could react almost completely with FA via aza-Cope rearrangement in 4 h to afford a turn-on Bioluminescence (BL). The detection limit of FA-Fluc was 0.047 ppm; and could detect FA in different seafood, agricultural products, and cooking processes. FA-Fluc has a good selectivity for FA, which shows that it does not react with other RCS. In addition, the FA content detected in complex food substrates is almost the same as that detected by acetylacetone and high-performance liquid chromatography (HPLC) methods. We also found that FA-Fluc was a powerful tool for real-time and dynamic imaging of FA in live cells and animals.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"338 ","pages":"Article 126210"},"PeriodicalIF":4.3,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143820747","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Identification and quantification of low concentration phenol and toluene in groundwater by fluorescence spectroscopy with Gaussian feature extraction 高斯特征提取荧光光谱法对地下水中低浓度苯酚和甲苯的鉴定与定量
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-08 DOI: 10.1016/j.saa.2025.126150
Yuxi Jiang , Ruifang Yang , Nanjing Zhao , Gaofang Yin , Hengxin Song , Gaoyong Shi , Peng Huang , Ming Gao
{"title":"Identification and quantification of low concentration phenol and toluene in groundwater by fluorescence spectroscopy with Gaussian feature extraction","authors":"Yuxi Jiang ,&nbsp;Ruifang Yang ,&nbsp;Nanjing Zhao ,&nbsp;Gaofang Yin ,&nbsp;Hengxin Song ,&nbsp;Gaoyong Shi ,&nbsp;Peng Huang ,&nbsp;Ming Gao","doi":"10.1016/j.saa.2025.126150","DOIUrl":"10.1016/j.saa.2025.126150","url":null,"abstract":"<div><div>Groundwater, a vital freshwater resource, faces increasing contamination risks from chemical industrial parks discharging hazardous compounds such as phenol and toluene. Detecting these pollutants at low concentrations is essential to ensure water quality and protect against long-term hazards. A method combining fluorescence spectroscopy and Gaussian feature extraction is proposed for the identification and quantification of phenol and toluene in groundwater. Fluorescence excitation-emission matrix (EEM) spectra of phenol and toluene are first measured, followed by feature extraction using a Gaussian function. The extracted features are then employed for qualitative identification and quantitative determination via support vector machine (SVM) and partial least squares (PLS) regression, respectively. For qualitative identification, Gaussian feature extraction is compared with original feature and PCA-based feature extraction methods. For quantification, it is compared with peak picking and PCA-based feature extraction methods. The results show that after Gaussian feature extraction, the performance is significantly improved. The identification accuracy for single-component samples reached 95.24 %, while for mixture samples, the accuracy was 90 %. In quantitative analysis of mixture samples, the average relative error for phenol concentrations of 2 µg/L or higher and toluene concentrations of 600 µg/L was controlled around 10 %, while for phenol concentrations at 1 µg/L, the relative error was about 30 %. This approach enhances both identification and quantification performance, providing a reliable tool for the early detection and quantification of low-concentration contaminants in groundwater, with great potential for environmental protection.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"338 ","pages":"Article 126150"},"PeriodicalIF":4.3,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824301","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A NIR ratiometric probe for detecting hypochlorite and bisulfite/sulfite in aqueous media 一种用于检测水介质中次氯酸盐和亚硫酸盐/亚硫酸盐的近红外比率探针
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-08 DOI: 10.1016/j.saa.2025.126204
Akshay Kodiyawala, Subrata Dutta
{"title":"A NIR ratiometric probe for detecting hypochlorite and bisulfite/sulfite in aqueous media","authors":"Akshay Kodiyawala,&nbsp;Subrata Dutta","doi":"10.1016/j.saa.2025.126204","DOIUrl":"10.1016/j.saa.2025.126204","url":null,"abstract":"<div><div>We have designed and synthesized a hemicyanine-based near-infrared (NIR) ratiometric and colorimetric fluorescent probe (AHS) to detect both HSO<sub>3</sub><sup>−</sup>/SO<sub>3</sub><sup>2−</sup> and OCl<sup>−</sup>. AHS probe contains a conjugated −C=C– bond and a –SMe group and exhibits NIR fluorescence emission at 666 nm (λ<sub>ex</sub> = 520 nm) because of the intramolecular charge transfer (ICT) mechanism. The probe undergoes a Michael addition reaction with HSO<sub>3</sub><sup>−</sup>/SO<sub>3</sub><sup>2−</sup> at the conjugated −C=C– bond, resulting in the formation of an adduct that breaks the π conjugation in the probe and shifts the fluorescence to 488 nm (λ<sub>ex</sub> = 420 nm). Similarly, upon reaction with hypochlorite (OCl<sup>−</sup>), a strong oxidizing agent, the –SMe group is oxidized to –S(O)Me, resulting in a fluorescence shift to 580 nm (λ<sub>ex</sub> = 520 nm). AHS demonstrated high selectivity and sensitivity for HSO<sub>3</sub><sup>−</sup>/SO<sub>3</sub><sup>2−</sup> and OCl<sup>−</sup>, with detection limits of 1.96 nM and 164.67 nM, respectively. Additionally, the probe exhibits excellent water solubility and strong anti-interference ability and can detect both the analytes at pH 7–10. AHS was successfully applied for the detection of HSO<sub>3</sub><sup>−</sup>/SO<sub>3</sub><sup>2−</sup> and OCl<sup>−</sup> on paper strips and in real and water samples with a high degree of recovery, demonstrating its potential for practical applications in environmental and biological analysis.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"339 ","pages":"Article 126204"},"PeriodicalIF":4.3,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143829772","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fluorescent dendritic fibrous silica nano-microspheres for the sensitive recognition and efficient separation of 4-nitrophenol 荧光枝状纤维二氧化硅纳米微球对4-硝基苯酚的灵敏识别和高效分离
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-08 DOI: 10.1016/j.saa.2025.126189
Yuxiang Huang , Junyu Chen , Yanqin Ma , Yufan Wu , Xinjian Cheng , Cheng Liu
{"title":"Fluorescent dendritic fibrous silica nano-microspheres for the sensitive recognition and efficient separation of 4-nitrophenol","authors":"Yuxiang Huang ,&nbsp;Junyu Chen ,&nbsp;Yanqin Ma ,&nbsp;Yufan Wu ,&nbsp;Xinjian Cheng ,&nbsp;Cheng Liu","doi":"10.1016/j.saa.2025.126189","DOIUrl":"10.1016/j.saa.2025.126189","url":null,"abstract":"<div><div>Given the significant impact of the toxic compound 4-nitrophenol (4-NP) on health and safety, its detection and separation have become key research objectives. In this study, a dual-functional fluorescent probe (Naph-DFNS-PPD) for adsorption and separation was designed by surface functionalization of dendritic fibrous nano-silica (DFNS). DFNS was first synthesize, and then modified. NH<sub>2</sub>-DFNS was obtained by the reaction of DFNS with amino-silane (APTES). Then, it was reacted with 4-bromo-1,8-naphthalic anhydride and 4-piperidine piperidine in consequence to integrate the fluorescent groups and the recognition groups. The obtained Naph-DFNS-PPD showed excellent sensitivity to 4-NP detection (LOD = 1.89 μM) and achieved an adsorption efficiency of 90.2 %, which benefited from the acid-base interaction driving mechanism. Specifically, the proton transfer between 4-NP and the probe can not only trigger fluorescence quenching for real-time monitoring but also promote the adsorption of 4-NP by the probe. This strategy establishes a system of multifunctional materials that combine recognition with pollutant fixation, providing a practical solution for environmental monitoring and remediation.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"338 ","pages":"Article 126189"},"PeriodicalIF":4.3,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143815514","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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