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

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Innovative first-order UV and fluorescence spectroscopic methods for the quantification of rufinamide in the presence of its toxic degradant: Application of AGREE tool 创新的一阶紫外和荧光光谱法在毒性降解物存在的情况下定量鲁非胺:AGREE工具的应用
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-07-03 DOI: 10.1016/j.saa.2025.126632
Abdullah Mannan, Adila Khalil, Mohammad Kashif
{"title":"Innovative first-order UV and fluorescence spectroscopic methods for the quantification of rufinamide in the presence of its toxic degradant: Application of AGREE tool","authors":"Abdullah Mannan,&nbsp;Adila Khalil,&nbsp;Mohammad Kashif","doi":"10.1016/j.saa.2025.126632","DOIUrl":"10.1016/j.saa.2025.126632","url":null,"abstract":"<div><div>An antiepileptic drug named rufinamide (RUF) is used to treat seizures caused by Lennox Gastaut Syndrome (LGS). Fully sustainable evaluated stability-indicating simple spectrophotometric and spectrofluorometric techniques combined with the first derivative for determining the quantity of rufinamide from RUF-Ninhydrin charge transfer complex by using ninhydrin as an acceptor and its oxidative degradation products, respectively. These methods have been created and thoroughly validated in accordance with ICH requirements. The discipline of pharmaceutical analysis requires diverse stability testing under various conditions. Solubility of RUF in different solvent as well as calorimetric method also performed to check the stability of RUF in different temperature conditions. The rufinamide-ninhydrin complex exhibits absorbance at 594 nm using spectrophotometer and the first derivative appeared at 640 nm. The RUF's fluorescence and the oxidative degradant (OXD) emission appeared at 406 and 426 nm, following the excitation at 373 and 368 nm respectively. By applying Δλ = 20 nm, first-order derivatization of synchronous spectra was able to resolve the overlap and determine rufinamide in the presence of its product of oxidative degradation at 398 nm. Both the developed methods verified linearity ranging from 12.5 to 200 μg mL<sup>−1</sup> for spectrophotometer and 0.5–8 μg mL<sup>−1</sup> for the spectrofluorimetric method. The limit of quantitation (LOQ) values were of 0.14 and 0.27 μg mL<sup>−1</sup>, while the limit of detection (LOD) values were 8.19 and 0.41 μg mL<sup>−1</sup> for spectrophotometric and spectrofluorometric methods respectively. AGREE and analytical eco-scale was two of the tools used to assess and approve the proposed method's greenness.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"344 ","pages":"Article 126632"},"PeriodicalIF":4.3,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144595852","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
SERS detection of micro-defects in ultra-low fouling polymer brushes 超低污垢聚合物刷中微缺陷的SERS检测
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-07-03 DOI: 10.1016/j.saa.2025.126646
Monika Spasovová , Markéta Vrabcová , Ivan Barvík , Milan Houska , Ondřej Kylián , Ladislav Fekete , Hana Vaisocherová - Lísalová , Marek Procházka , Josef Štěpánek
{"title":"SERS detection of micro-defects in ultra-low fouling polymer brushes","authors":"Monika Spasovová ,&nbsp;Markéta Vrabcová ,&nbsp;Ivan Barvík ,&nbsp;Milan Houska ,&nbsp;Ondřej Kylián ,&nbsp;Ladislav Fekete ,&nbsp;Hana Vaisocherová - Lísalová ,&nbsp;Marek Procházka ,&nbsp;Josef Štěpánek","doi":"10.1016/j.saa.2025.126646","DOIUrl":"10.1016/j.saa.2025.126646","url":null,"abstract":"<div><div>Ultra-thin, densely packed polymer brushes (PBs) with ultra-low fouling properties play a crucial role in recent developments of surface modification strategies for biomedical and biosensing technologies. However, micro-defects within PB structures can significantly impair their ultra-low fouling performance, thereby reducing their effectiveness and the application potential. Reliable detection of these micro-defects is essential for further evaluation and optimization of brush-based surfaces. In this study, we present a straightforward spectroscopic method for detection of micro-defects in PBs using Raman mapping. We employed random copolymer brushes of carboxybetaine methacrylamide (CBMAA) and <em>N</em>-(2-hydroxypropyl) methacrylamide (HPMAA) as examples of state-of-the-art ultra-low fouling PB systems prepared on a surface-enhanced Raman scattering (SERS)-active Ag nano-island layer fabricated on Au-coated glass substrates. Methylene blue, drop-deposited on the PB surface, is demonstrated as a suitable reporter molecule, providing spectroscopic information via both Raman and fluorescence signals. Analysis of the spectroscopic maps enabled not only the detection of micro-defects but also the differentiation between “shallow” and “deep” defects, providing detailed insights into the structural integrity of ultra-low fouling PBs.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"344 ","pages":"Article 126646"},"PeriodicalIF":4.3,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144595853","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
Nucleophilic addition triggered fluorescent probe for detection of diphenyl chlorophosphate (DCPP): Real-time application in monitoring the presence of trace amounts in the environment 亲核加成触发荧光探针检测二苯氯磷酸(DCPP):实时监测环境中痕量存在的应用
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-07-03 DOI: 10.1016/j.saa.2025.126642
Xiaoqian Liu , Yang Yang , Zidong Gu , Haiyang Cui , Jiawei Han , Jue Wang , Tingting Jiang
{"title":"Nucleophilic addition triggered fluorescent probe for detection of diphenyl chlorophosphate (DCPP): Real-time application in monitoring the presence of trace amounts in the environment","authors":"Xiaoqian Liu ,&nbsp;Yang Yang ,&nbsp;Zidong Gu ,&nbsp;Haiyang Cui ,&nbsp;Jiawei Han ,&nbsp;Jue Wang ,&nbsp;Tingting Jiang","doi":"10.1016/j.saa.2025.126642","DOIUrl":"10.1016/j.saa.2025.126642","url":null,"abstract":"<div><div>Detection of organic phosphates represented by diphenyl chlorophosphate (DCPP) is great of significance due to their potential threats to the environment. Herein we have developed a novel hypsochromic shifted fluorescent probe ACC-1 based on a nucleophilic addition approach for the detection of trace amounts of DCPP in the environment. The probe exhibited great selectivity towards DCPP over other analytes with a detection limit of 0.18 μM. The probe treated paper strips were applied to real time detection of DCPP effectively under UV light. The presence of trace amounts of DCPP were monitored in real water samples by fluorescent analysis. Finally, the probe was successfully employed in biological studies to visualize DCPP in zebra fish.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"344 ","pages":"Article 126642"},"PeriodicalIF":4.3,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144563969","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
Selective cholesterol assay using peroxidase-like iron-copper Co-doped nitrogen carbon quantum dots in colorimetric and fluorometric modes 选择性胆固醇测定使用过氧化物酶样铁铜共掺杂氮碳量子点在比色和荧光模式
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-07-03 DOI: 10.1016/j.saa.2025.126620
Ali M. Alaseem , Glowi Alasiri , Al-Montaser Bellah H. Ali , Ahmed K. Hamdy , Mohamed M. El-Wekil
{"title":"Selective cholesterol assay using peroxidase-like iron-copper Co-doped nitrogen carbon quantum dots in colorimetric and fluorometric modes","authors":"Ali M. Alaseem ,&nbsp;Glowi Alasiri ,&nbsp;Al-Montaser Bellah H. Ali ,&nbsp;Ahmed K. Hamdy ,&nbsp;Mohamed M. El-Wekil","doi":"10.1016/j.saa.2025.126620","DOIUrl":"10.1016/j.saa.2025.126620","url":null,"abstract":"<div><div>Effective disease management and diagnosis rely on monitoring biomarkers such as cholesterol in bodily fluids. This study presents iron and copper-coordinated nitrogen-doped carbon quantum dots (FeCu@NCQDs) synthesized via a straightforward hydrothermal method, exhibiting a notable photoluminescence quantum yield of 39.09 %. With fluorescence emission at 450 nm under 330 nm excitation, FeCu@NCQDs are ideal for sensitive biosensing. A detection probe combining FeCu@NCQDs, 4-aminoantipyrine, and phenol was developed. In the presence of cholesterol oxidase-generated H₂O₂, 4-aminoantipyrine, and phenol reacted to produce a pink compound that quenches FeCu@NCQDs' fluorescence through an inner-filter effect, enabling fluorometric detection. Colorimetric detection is achieved by measuring this compound's absorbance at 515 nm. The FeCu@NCQDs' peroxidase-like activity, enhanced by Fe and Cu, facilitates this process. Under optimized conditions, the fluorometric and colorimetric methods exhibited linear detection ranges of 0.03–600 μM and 0.13–600 μM, respectively. This dual-mode system effectively detected cholesterol in serum samples with high accuracy and recovery, offering a sensitive, reliable, and economical tool for clinical diagnostics and personalized health monitoring.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"344 ","pages":"Article 126620"},"PeriodicalIF":4.3,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144570230","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
Tuning the interparticle distance between assembled copper nanocrystals to improve the optical plasmon resonance, photothermal, and antibacterial properties under visible light 调整组装铜纳米晶体之间的粒子间距离,以改善光学等离子体共振、光热和可见光下的抗菌性能
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-07-03 DOI: 10.1016/j.saa.2025.126643
M. Bakheet, Elsayed Elgazzar, H.A. Ali, Waleed E. Mahmoud
{"title":"Tuning the interparticle distance between assembled copper nanocrystals to improve the optical plasmon resonance, photothermal, and antibacterial properties under visible light","authors":"M. Bakheet,&nbsp;Elsayed Elgazzar,&nbsp;H.A. Ali,&nbsp;Waleed E. Mahmoud","doi":"10.1016/j.saa.2025.126643","DOIUrl":"10.1016/j.saa.2025.126643","url":null,"abstract":"<div><div>Here, we report the assembly of plasmonic copper nanoparticles capped by poly (vinyl alcohol) via esterification with oxalic acid (OA) as a crosslinking agent. As-synthesized copper nanoparticles measure 8.6 nm and are single crystals, displaying a plasmonic resonance at 392 nm. An increase in the reaction time from 15 to 240 min leads to the assembly of nanoparticles into clusters with decreasing interparticle distances. This is reflected in the appearance of the second plasmon resonance at a longer wavelength, whose intensity and position depend on the reaction time. The influence of the interparticle distance between the assembled copper nanoparticles on the wave propagation of visible light and the optical parameters was studied. The results revealed that decreased interparticle distance between the copper nanocrystals increases the plasmon pulsation frequency and the penetration depth of visible light. This new finding remarkably enhanced the surface plasmon polariton and the surface plasmon resonance along the interface between the dielectric medium and copper nanocrystals. Therefore, the developed nano‑copper assembly with various interparticle distances exhibited outstanding photothermal performance under visible light irradiation for the first time. The study of the antibacterial activity of assembled copper nanoparticles against hospital-associated methicillin-resistant <em>Staphylococcus aureus</em> (HA-MRSA) under visible light irradiation revealed a remarkable efficiency of the nanoparticle sample obtained after 30 min of the reaction with OA and containing medium-size clusters with the interparticle distance of 0.9 nm. This was attributed to an optimal cluster size, allowing easy penetration of the bacterial cell membrane and the comparatively small interparticle distance between copper nanoparticles, leading to strong interparticle interactions and influencing antibacterial activity. This unique feature may open a new avenue for using the proposed synthetic recipe as an alternative for photothermal therapy under visible irradiation instead of laser or UV irradiation with serious harmful effects on living cells.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"344 ","pages":"Article 126643"},"PeriodicalIF":4.3,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144563388","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
Evaluation of laser-induced breakdown spectroscopy for nutritional and trace elemental mapping in Otostegia limbata medicinal plant 激光诱导击穿光谱法测定耳槐药用植物营养和微量元素含量的评价
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-07-03 DOI: 10.1016/j.saa.2025.126645
Faisal Waheed Khan , Rajwali Khan , Nasar Ahmed , Muhammad Saddique , Rizwan Taj , Sherzod Abdullaev , Sattam Al Otaibi , Khaled Althubeiti , Shahid Iqbal
{"title":"Evaluation of laser-induced breakdown spectroscopy for nutritional and trace elemental mapping in Otostegia limbata medicinal plant","authors":"Faisal Waheed Khan ,&nbsp;Rajwali Khan ,&nbsp;Nasar Ahmed ,&nbsp;Muhammad Saddique ,&nbsp;Rizwan Taj ,&nbsp;Sherzod Abdullaev ,&nbsp;Sattam Al Otaibi ,&nbsp;Khaled Althubeiti ,&nbsp;Shahid Iqbal","doi":"10.1016/j.saa.2025.126645","DOIUrl":"10.1016/j.saa.2025.126645","url":null,"abstract":"<div><div>Medicinal plants have been an essential source of indigenous medicines and continue to play a vital role in pharmaceutical industries. Comprehensive knowledge of their elemental composition is crucial, as these elements significantly influence metabolic and physiological processes. The current investigation focuses on the compositional analysis of the <em>Otostegia limbata</em> (OL-MP), a medicinal plant, using the fast and efficient Laser-Induced Breakdown Spectroscopy (LIBS) technique. Four major parts of the plant, root, bark, leaves, and flowers, along with surrounding soil samples, were analyzed. Twelve elements, including Ca, Mg, Al, K, Sr, Ba, Fe, Ti, Cr, Mn, Li, and Na, were detected with varying concentrations across the samples. Plasma temperature and electron number density were estimated using the Boltzmann plot method and Stark broadening parameter, yielding values of approximately (10,000 ± 1000 K) and (1.31 ± 1.00 × 10<sup>17</sup> cm<sup>−3</sup>), respectively. Compositional analysis was conducted using Calibration-Free LIBS (CF-LIBS), which revealed high concentrations of silicon (22.8 %) and calcium (13.5 %) in the soil. In plant tissues, calcium was predominant, with roots containing 34.7 % calcium and 18.5 % iron; bark exhibiting elevated calcium (24.11 %), potassium (19.38 %), and iron (16.38 %); leaves rich in calcium (30.6 %) and barium (20.3 %); and flowers showing the highest calcium content at 34.9 %, highlighting its key role in reproductive structures. The accuracy of the proposed method was comparable to that of advanced laboratory equipment, with detected elemental concentrations found to be below toxic thresholds. This comprehensive, non-destructive analytical approach demonstrates potential for direct toxicity monitoring and quality assurance in homeopathic and pharmaceutical applications.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"344 ","pages":"Article 126645"},"PeriodicalIF":4.3,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144570033","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
Machine learning-assisted SERS-based dual-aptamer biosensor for ultrasensitive clinical screening of breast cancer 基于机器学习辅助sers的双适体生物传感器用于乳腺癌超灵敏临床筛查
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-07-02 DOI: 10.1016/j.saa.2025.126640
Haiqian Xia , Lingzi Xiong , Ruoyu Huang , Ning Liu , Muhammad Muhammad , Jingfang Hong , Qing Huang
{"title":"Machine learning-assisted SERS-based dual-aptamer biosensor for ultrasensitive clinical screening of breast cancer","authors":"Haiqian Xia ,&nbsp;Lingzi Xiong ,&nbsp;Ruoyu Huang ,&nbsp;Ning Liu ,&nbsp;Muhammad Muhammad ,&nbsp;Jingfang Hong ,&nbsp;Qing Huang","doi":"10.1016/j.saa.2025.126640","DOIUrl":"10.1016/j.saa.2025.126640","url":null,"abstract":"<div><div>Breast cancer remains a global health challenge, with an increasing number of cases necessitating innovative approaches to streamline patient management prior to treatment. In this study, we present a comprehensive aptamer-involved surface-enhanced Raman spectroscopy (aptamer-SERS)-based protocol specifically designed for large-scale clinical screening of the circulating protein MUC1 overexpressed in the majority of breast cancer cases. Central to our approach was a “sandwich” assay, where MUC1 was anchored between aptamer-functionalized bimetallic core-shell nanoparticles (NPs) and magnetic nanobeads. The biosensor was applied to monitor MUC1 in serum samples through SERS signals from the reporter molecule 4-ATP, exhibiting a strong linear correlation across a wide dynamic range and the lower the limit of detection (LOD) of 2.96 fg/mL. To support clinical decision-making, the protocol was integrated with a machine learning (ML)model for the classification of SERS signal patterns, demonstrating performance metrics of 96% accuracy and 93.7% specificity when applied to diverse serum samples. This integration enabled robust, non-invasive preclinical screening that informs therapeutic regulation and patient monitoring long before clinical symptoms present. By establishing a scalable framework for continuous monitoring of MUC1 levels across large populations, our study offered a forward-thinking tool, namely, dual-aptamer-SERS biosensor, that may optimize individualized treatment planning and improve overall clinical management strategies.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"344 ","pages":"Article 126640"},"PeriodicalIF":4.3,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144570035","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
Dual-emissive ratiometric “turn-on” probe for real-time sensing of HSO4− in environmental samples and live cells 双发射比例“开启”探针实时传感环境样品和活细胞中的HSO4 -
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-07-02 DOI: 10.1016/j.saa.2025.126629
Anju Ranolia , Joydeep Chatterjee , Gaurav Joshi , Pritam Maity , Raj Kumar , Jayant Sindhu
{"title":"Dual-emissive ratiometric “turn-on” probe for real-time sensing of HSO4− in environmental samples and live cells","authors":"Anju Ranolia ,&nbsp;Joydeep Chatterjee ,&nbsp;Gaurav Joshi ,&nbsp;Pritam Maity ,&nbsp;Raj Kumar ,&nbsp;Jayant Sindhu","doi":"10.1016/j.saa.2025.126629","DOIUrl":"10.1016/j.saa.2025.126629","url":null,"abstract":"<div><div>The optical detection of hydrogen sulfate anion (HSO<sub>4</sub><sup>−</sup>) in the aqueous phase is particularly challenging and relatively rare, mainly due to their extremely high Gibbs free energy of hydration, which stabilizes the ions and hinders their interaction with the sensors. A novel ratiometric “<em>turn-on</em>” fluorometric probe, <em>N</em>-hydroxy-6-((2-(4-methoxyphenyl)quinolin-6-yl)oxy)hexanamide (<strong>5C</strong>), was rationally designed and synthesized to enable highly selective and ultrasensitive detection of hydrogen sulfate ion (HSO<sub>4</sub><sup>−</sup>) in aqueous phase. The probe <strong>5C</strong> exhibits bathochromic shift of 52 nm in its emission spectrum upon HSO<sub>4</sub><sup>−</sup> addition, resulting into fluorometric color change from non-fluorescent to a strong blue fluorescence under UV light. The limit of detection (LOD) and quantification (LOQ) for <strong>5C</strong> was determined to be 0.55 and 1.85 μM, respectively. Binding analysis through Job's plot and the Benesi-Hildebrand method indicated a 1:1 complexation between <strong>5C</strong> and HSO<sub>4</sub><sup>−</sup>, with an association constant (K<sub>a</sub>) of 5.43 × 10<sup>3</sup> M<sup>−1</sup>. The spectral response of the probe was observed within 15 s of HSO<sub>4</sub><sup>−</sup> addition. Additionally, the reversibility and stability of the synthesized compound <strong>5C</strong> were investigated, along with its solid-state behavior, which was further validated through solid-state absorbance and fluorescence spectra. A sensing mechanism involves intermolecular hydrogen-bonding interactions between <strong>5C</strong> and HSO<sub>4</sub><sup>−</sup>, as confirmed by <sup>1</sup>H NMR titration, IR spectroscopy and DFT studies. The probe also demonstrates excellent performance in real water samples and on test strips, achieving high accuracy and precision. Additionally, cell imaging studies confirmed the potential of <strong>5C</strong> as a bio-imaging probe for tracking HSO<sub>4</sub><sup>−</sup> in human breast cancer cells (MCF-7) with high efficiency, underscoring its potential in biological applications.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"344 ","pages":"Article 126629"},"PeriodicalIF":4.3,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144572744","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
Credentials of chromone based probe as colorimetric sensor for the detection of Cu2+ ion: design of test paper kit and potential anticancer activity 基于色素的探针作为Cu2+离子检测的比色传感器:试纸包的设计和潜在的抗癌活性
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-07-02 DOI: 10.1016/j.saa.2025.126638
Mukul Bikash Maity , Panchanan Sahoo , Gurupada Bairy , Sourav Kumar Nandi , Chandan Kumar Ghosh , Chittaranjan Sinha
{"title":"Credentials of chromone based probe as colorimetric sensor for the detection of Cu2+ ion: design of test paper kit and potential anticancer activity","authors":"Mukul Bikash Maity ,&nbsp;Panchanan Sahoo ,&nbsp;Gurupada Bairy ,&nbsp;Sourav Kumar Nandi ,&nbsp;Chandan Kumar Ghosh ,&nbsp;Chittaranjan Sinha","doi":"10.1016/j.saa.2025.126638","DOIUrl":"10.1016/j.saa.2025.126638","url":null,"abstract":"<div><div>3-(5-Chloro-2,3-dihydrobenzo[<em>d</em>]thiazol-2-yl)-4<em>H</em>-chromen-4-one (<strong>MCF</strong>) is spectroscopically characterised (FT-IR, UV–Vis, ESI-MS, NMR) and has been used for the chromogenic selective recognition of Cu<sup>2+</sup> ion in EtOH-H<sub>2</sub>O (99:1, <em>v</em>/v) medium in presence of fourteen competitive ions and the limit of detection is 0.6 μM (WHO recommended the permissible limit, 20 μM). The Job's plot identifies the 1:1 M ratio of probe, MCF:Cu<sup>2+</sup>. The Benesi-Hildebrand equation calculates the binding constant, 4.9346 × 10<sup>4</sup> M<sup>−1</sup> which signifies the sufficient stability of probe-analyte composite. A paper kit is designed and has been impregnated with probe. It is dried and has been used for the detection of Cu<sup>2+</sup> in water. On dipping the probe kit in Cu<sup>2+</sup> contaminated water with other cations develops yellowish brown color while no change is seen in absence of Cu<sup>2+</sup>. The biocompaitability and non-toxicity of the <strong>MCF</strong> was examined by MTT assay in MDA-MB-231 cell line. The experimental outcome depicted that the probe can be used as a potential therapeutic candidate towards TNBC treatment.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"344 ","pages":"Article 126638"},"PeriodicalIF":4.3,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144580736","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 double-locked and neutrophil elastase/hypochlorite activated probe for accurate bioimaging of osteoarthritis 双锁定中性粒细胞弹性蛋白酶/次氯酸盐激活探针用于骨关节炎的精确生物成像
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-07-01 DOI: 10.1016/j.saa.2025.126623
Min Deng , Siwei Ai , Ying Liu , Hailin Zhang , Zibo Zhai , Dan Cheng , Longwei He , Songjiao Li
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