Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy最新文献_第10页

Broad-spectrum anticancer properties, DFT calculations and macromolecular binding potential of a novel thiolato-bridged fac-Mn(CO)3-core-based CO-releasing molecule 新型巯基桥接面mn (CO)3核CO释放分子的广谱抗癌特性、DFT计算和大分子结合势。

IF 4.6 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Pub Date : 2025-12-31 DOI: 10.1016/j.saa.2025.127406

Aswathy Anil , Diksha Tripathi , Sriram Shankar , Subhashree Subhasmita Nayak , R. Krishna , Udit Kumar , Bala. Manimaran , Natarajan Sakthivel

The present study investigates the anticancer potential, density functional theory (DFT) calculations and biological target interactions of a novel, hetero-ligated horse-stirrup-shaped thiolato-bridged fac-Mn(CO)₃-core-based CO-releasing compound (S-MnC). The S-MnC exhibited selective, broad-spectrum cytotoxicity against ovarian (SKOV-3), breast (MDA-MB-231), pancreatic (PANC-1), and prostate (PC-3) cancer cells. The macromolecular binding potential of S-MnC with DNA and human serum albumin (HSA) was elucidated using spectroscopic and molecular docking studies. The S-MnC interacts with ctDNA through a combination of partial intercalation and groove binding, causing structural changes and exhibiting hydrolytic DNA cleavage, suggesting its potential to induce oxidative DNA damage. Furthermore, DFT calculation confirmed a redox-active MnS core and ligand centred LUMO, supporting the oxidative DNA cleavage and cytotoxic potential of S-MnC. The structural framework of S-MnC contains an ester-functionalized ligand that exhibits a strong binding potential towards human serum albumin (HSA). The flexibility of the ether and ester groups permits the coordinating ligand to embrace different conformations and provides the stability to ligand complexes. The binding process was spontaneous, entropy-driven interactions, indicated by positive ∆H° and ∆S° values and negative ∆G° values. These dynamic binding interactions induced conformational changes in the secondary structure of HSA. Reported results established the structure-activity relationships and biological insights of S-MnC as a potent, selective, Mn-based therapeutic scaffold.

本研究研究了一种新型的异连接马镫形硫代桥接面mn (CO)3核CO释放化合物（S-MnC）的抗癌潜力、密度泛函理论（DFT）计算和生物靶标相互作用。S-MnC对卵巢（SKOV-3）、乳腺（MDA-MB-231）、胰腺（PANC-1）和前列腺（PC-3）癌细胞表现出选择性的广谱细胞毒性。利用光谱和分子对接研究阐明了S-MnC与DNA和人血清白蛋白（HSA）的大分子结合潜力。S-MnC通过部分嵌入和凹槽结合与ctDNA相互作用，引起结构变化并表现出水解DNA裂解，表明其诱导DNA氧化损伤的潜力。此外，DFT计算证实了氧化还原活性MnS核心和配体中心的LUMO，支持S-MnC的氧化DNA切割和细胞毒性潜力。S-MnC的结构框架包含一个酯功能化配体，对人血清白蛋白（HSA）具有很强的结合潜力。醚基和酯基的灵活性允许配体具有不同的构象，并为配体配合物提供了稳定性。结合过程是自发的、由熵驱动的相互作用，∆H°和∆S°值为正，∆G°值为负。这些动态结合相互作用引起了HSA二级结构的构象变化。报道的结果建立了S-MnC作为一种有效的、选择性的、基于mn的治疗支架的结构-活性关系和生物学见解。

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引用次数: 0

Sulfonate-functionalized HDNE probe enables detection of neutrophil elastase in colitis mice 磺酸功能化HDNE探针能够检测结肠炎小鼠的中性粒细胞弹性蛋白酶。

IF 4.6 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Pub Date : 2025-12-31 DOI: 10.1016/j.saa.2025.127422

Kai Wang , Wu-Juan Hao , Ren-Min Zhou , You-Zhen Feng , Zhong-Yuan Cheng

Neutrophil elastase (NE) has emerged as a key protease in inflammatory bowel disease pathogenesis, serving as both a diagnostic marker and therapeutic target. This study establishes a comprehensive methodology for monitoring NE activity in inflammatory conditions using a sulfonate-modified hemicyanine-based probe (HDNE). Through systematic evaluation, HDNE demonstrated remarkable aqueous solubility and biocompatibility, with negligible cytotoxicity observed in macrophage cultures. The probe exhibited high sensitivity toward NE with a linear response range up to 2.5 U/L and maintained excellent selectivity against competing biological species. In a dextran sulfate sodium-induced colitis model, HDNE enabled non-invasive visualization of NE activity, revealing distinct spatiotemporal patterns correlating with disease progression. Quantitative analysis confirmed significant signal enhancement in inflammatory regions, achieving maximum contrast at 90 min post-injection. Ex vivo validation further verified the accuracy of in vivo measurements, while histopathological assessment confirmed minimal systemic toxicity. These findings collectively validate HDNE as a reliable tool for investigating NE dynamics in inflammatory environments, providing valuable insights for disease monitoring and therapeutic assessment.

中性粒细胞弹性酶（Neutrophil elastase， NE）已成为炎症性肠病发病机制中的关键蛋白酶，既是诊断标志物，也是治疗靶点。本研究建立了一种全面的方法来监测炎症条件下的NE活性，使用一种基于磺酸修饰的半氨基苯胺探针（HDNE）。通过系统评估，HDNE具有显著的水溶性和生物相容性，在巨噬细胞培养中观察到的细胞毒性可以忽略不计。该探针对NE具有较高的灵敏度，线性响应范围可达2.5 U/L，对竞争生物物种保持良好的选择性。在葡聚糖硫酸钠诱导的结肠炎模型中，HDNE使NE活动的非侵入性可视化成为可能，揭示了与疾病进展相关的独特时空模式。定量分析证实炎症区明显的信号增强，在注射后90分钟达到最大对比度。离体验证进一步验证了体内测量的准确性，而组织病理学评估证实了最小的全身毒性。这些发现共同验证了HDNE是研究炎症环境中NE动态的可靠工具，为疾病监测和治疗评估提供了有价值的见解。

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引用次数: 0

Toward precision in nanoscale IR spectroscopy: Optimizing biological sample preparation for molecular and morphological integrity 纳米尺度红外光谱的精度：优化生物样品制备的分子和形态完整性。

IF 4.6 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Pub Date : 2025-12-31 DOI: 10.1016/j.saa.2025.127398

Karolina Chrabąszcz , Natalia Piergies , Agnieszka Panek, Monika Szczepanek-Dulska, Katarzyna Pogoda

Biological sample preparation for nanoscale IR spectroscopy involves fixation, rinsing, and drying steps that can significantly alter biomolecular properties and cellular architecture. Chemical modifications may shift spectral band positions and intensities, compromising interpretation, while structural remodelling can distort morphology and hinder image reconstruction. In this study, we evaluated fixation protocols using paraformaldehyde, glutaraldehyde, ethanol, and osmium tetroxide, combined with different rinsing and dehydration strategies. FT-IR and AFM-IR analyses revealed that paraformaldehyde and glutaraldehyde best preserve protein content and secondary structure, whereas osmium tetroxide is more effective for stabilizing cellular lipids. Nevertheless, the post-fixation steps of rinsing and drying proved equally critical for nanoscale investigations. We found that direct rinsing with water followed by rapid nitrogen drying yields the most faithful preservation of cellular integrity, minimizing structural artefacts and ensuring reliable spectral and AFM imaging data. These findings highlight the need for optimized processing protocols tailored to nanoscale IR studies. By balancing chemical stabilization with minimal physical distortion, the proposed approach improves the accuracy of nanospectroscopic analyses of cellular components.

用于纳米级红外光谱的生物样品制备包括固定、冲洗和干燥步骤，这些步骤可以显著改变生物分子特性和细胞结构。化学修饰可能会改变光谱带的位置和强度，影响解释，而结构重塑可能会扭曲形态并阻碍图像重建。在这项研究中，我们评估了使用多聚甲醛、戊二醛、乙醇和四氧化锇的固定方案，并结合不同的冲洗和脱水策略。FT-IR和AFM-IR分析显示，多聚甲醛和戊二醛最能保持蛋白质含量和二级结构，而四氧化锇对稳定细胞脂质更有效。然而，固定后的冲洗和干燥步骤对纳米级研究同样重要。我们发现，直接用水冲洗，然后快速氮气干燥，可以最忠实地保存细胞完整性，最大限度地减少结构伪影，并确保可靠的光谱和AFM成像数据。这些发现强调了为纳米级红外研究量身定制优化处理方案的必要性。通过平衡化学稳定性和最小的物理畸变，该方法提高了细胞成分纳米光谱分析的准确性。

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引用次数: 0

A dual-responsive ratiometric fluorescence sensor for highly sensitive detection of heparin with Eu CPs and fluorescent polydopamine nanoparticles 一种双响应比例荧光传感器，用于高灵敏度检测肝素与Eu CPs和荧光聚多巴胺纳米颗粒

IF 4.6 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Pub Date : 2025-12-30 DOI: 10.1016/j.saa.2025.127402

Yan-Zhao Fang , Yan Zhang , Lin-Xin Du , He-Han Huang , Zhi-Jie Mao , Pei Zhang , Shuang Wu , Xiang-Juan Kong , Qiang Xiao

In this study, a new dual-responsive ratiometric fluorescence nanoprobe was rationally designed for heparin (Hep) detection. The negatively charged europium-based coordination polymers (Eu CPs) and positively charged fluorescent polydopamine nanoparticles (FPDA NPs) could assemble via electrostatic interaction, meanwhile, the fluorescence of these both reduced slightly owing to self-quenching (SQ) and inner-filter effect (IFE), respectively. Upon addition of Hep, the Eu CPs emission at 615 nm was markedly quenched due to electron transfer and SQ, while the FPDA NPs emission at 465 nm was enhanced marginally owing to mitigation of the IFE. These opposing signal changes yielded a robust ratiometric readout (I₄₆₅/I₆₁₅) for Hep detection. The probe showed a widely linear response over 0–16 μg/mL with a detection limit as low as 3.58 ng/mL. Furthermore, high sensitivity and accuracy of the probe enabled accurate analysis of Hep in human serum with favorable recoveries, highlighting its potential for biomedical analysis and clinical diagnostics.

本研究合理设计了一种新型的双响应比例荧光纳米探针，用于肝素检测。带负电荷的铕基配位聚合物（Eu CPs）和带正电荷的荧光聚多巴胺纳米粒子（FPDA NPs）可以通过静电相互作用进行组装，同时由于自猝灭（SQ）和内过滤效应（IFE），两者的荧光度略有下降。在加入Hep后，Eu CPs在615 nm处的发射由于电子转移和SQ而明显淬灭，而FPDA NPs在465 nm处的发射由于IFE的减缓而略有增强。这些相反的信号变化产生了强大的比率读数（I₄₆₅/I₆₁₅），用于Hep检测。该探针在0 ~ 16 μg/mL范围内具有良好的线性响应，检出限低至3.58 ng/mL。此外，该探针的高灵敏度和准确性使人血清中Hep的准确分析具有良好的回收率，突出了其在生物医学分析和临床诊断方面的潜力。

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引用次数: 0

Smart three-in-one detection platform: Chemical sensing, image recognition, and machine learning for rapid identification of tetracycline antibiotics 智能三合一检测平台：化学传感、图像识别、机器学习，快速识别四环素类抗生素

IF 4.6 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Pub Date : 2025-12-30 DOI: 10.1016/j.saa.2025.127416

Haoyuan Ma , Lei Jia , Jiaying Li , Lina Zhang , Yongxin Li , Taofeng Zhu , Jun Xu

The hidden allergic reactions and cumulative toxic effects caused by antibiotic residues in aquatic products have become significant public health concerns. Among these, tetracycline antibiotics (TCs) pose considerable ecological risks and health threats due to their high molecular stability and prolonged environmental persistence. To address this challenge, this study developed a guanosine-5-monophosphate (GMP)-Tb/rhodamine B (RhB) multi-proportion ratiometric fluorescence probe array, integrated with computer vision and an intelligent color mapping recognition framework, to construct a comprehensive and intelligent solution for antibiotic identification. Specifically, the “You Only Look Once” version 5 s (YOLOv5s) model was utilized to automatically detect the reaction areas on the 96-well plate and extract RGB feature data. These features were then analyzed using k-Nearest Neighbor(KNN), support vector machines (SVM), and random forest(RF) classifiers for multi-dimensional modeling. Finally, the optimized model was integrated into a web application built using the Flask framework. Experimental results demonstrated that the system achieved an overall recognition accuracy of 94.4 % for TC, OTC, and CTC antibiotics within a concentration range of 0–50 μM; notably, the optimal KNN classifier achieved an F1-score of 1.00 on the validation set. This study successfully established a three-in-one analytical paradigm that integrates chemical sensing, image recognition, and intelligent decision-making, thereby providing an expandable technical platform for the rapid screening of environmental pollutants.

水产品中抗生素残留引起的隐性过敏反应和累积毒性效应已成为重大的公共卫生问题。其中，四环素类抗生素由于具有较高的分子稳定性和较长的环境持久性，对生态和健康构成了相当大的威胁。针对这一挑战，本研究开发了鸟苷-5-单磷酸鸟苷(GMP)-Tb/罗丹明B （RhB）多比例比例荧光探针阵列，结合计算机视觉和智能颜色映射识别框架，构建了抗生素识别的综合智能解决方案。具体而言，利用“You Only Look Once”版本5s （YOLOv5s）模型自动检测96孔板上的反应区域，提取RGB特征数据。然后使用k-最近邻（KNN）、支持向量机（SVM）和随机森林（RF）分类器对这些特征进行分析，以进行多维建模。最后，将优化后的模型集成到使用Flask框架构建的web应用程序中。实验结果表明，该系统在0 ~ 50 μM的浓度范围内，对TC、OTC和CTC抗生素的总体识别准确率为94.4%；值得注意的是，最优KNN分类器在验证集上的f1得分为1.00。本研究成功建立了集化学传感、图像识别、智能决策为一体的三合一分析范式，为环境污染物的快速筛选提供了可扩展的技术平台。

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引用次数: 0

Iron-doped carbon dot nanozymes with fluorescence and enzyme-like activity as dual-mode sensor for the detection of tetracycline 具有荧光和类酶活性的铁掺杂碳点纳米酶作为四环素检测的双模传感器。

IF 4.6 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Pub Date : 2025-12-30 DOI: 10.1016/j.saa.2025.127415

Zihan Li , Xiaoyu Liu , Yingmin Zhang , Xinxin Tong , Junhao Liu , Yongqian Lei , Pengran Guo , Weixin Liang , Mingyang Zhou , Shenghong Yang

Carbon dot nanozymes (CDNEs) hold great potential for constructing multi-modal analysis system, yet their practical applications remain constrained by the poor tunability of fluorescence and catalytic activity. In this study, we developed a novel CDNEs with good blue fluorescence and enzyme-like characteristic by directly doping iron ions during the synthesis of carbon dots. The partial reduction of Fe(III) to Fe(II) during the reaction and their coordination via FeO or FeN bonds endowed the CDNEs with high enzyme-like activity, which efficiently catalyzes the generation of reactive oxygen species (ROS) from H₂O₂. Based on the effects of tetracycline (TC) on the fluorescence signal and enzymatic activity of CDNEs, a dual-mode analysis system of TC utilizing both fluorescence and absorption was constructed. The proposed spectral-response method possess high sensitivity and selectivity, and the limit of detection can reach 20 nM. Moreover, a scanometric analysis mode also was developed based on the visually observable color change, which was suitable for the rapid on-site and high throughput detection of TC in real water samples with the recoveries of 90.2%–108.6%. This study offers a potent strategy for monitoring antibiotic pollution and facilitate the application of functionalized CDNEs in environmental and biomedical fields.

碳点纳米酶（ccdes）在构建多模态分析体系方面具有很大的潜力，但其荧光和催化活性的可调性较差，限制了其实际应用。在本研究中，我们通过在碳点合成过程中直接掺杂铁离子，开发了一种具有良好蓝色荧光和酶样特性的新型ccdna。在反应过程中，Fe（III）部分还原为Fe(II)，并通过FeO或FeN键配位，使CDNEs具有高酶样活性，有效催化H2O2生成活性氧（ROS）。基于四环素对CDNEs荧光信号和酶活性的影响，构建了四环素荧光和吸收双模分析系统。该方法具有较高的灵敏度和选择性，检测限可达20 nM。此外，还建立了一种基于视觉可观察颜色变化的扫描分析模式，适用于实际水样中TC的现场快速高通量检测，回收率为90.2% ~ 108.6%。该研究为抗生素污染监测提供了有效的策略，并促进了功能化CDNEs在环境和生物医学领域的应用。

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引用次数: 0

Evaluating the Accuracy of Partial Least Square Regression for Distillation Fractions from ATR-IR Spectra of Crude Oils, with a Focus on Selected Crudes and Fractions 从原油ATR-IR光谱中评估蒸馏馏分的偏最小二乘回归的准确性，重点是选定的原油和馏分。

IF 4.6 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Pub Date : 2025-12-30 DOI: 10.1016/j.saa.2025.127408

Slobodan Šašić, Connor Grant, Roy Mize, Deepak Patel, Maryro Mendez

Optimization software used for automated generation of partial-least-square (PLS) regression models for the distillation fractions of crude oils based on ATR-IR (attenuated total reflection infrared) spectra often yields multiple models with comparable accuracy and complexity. Selecting models solely based on highest accuracy (lowest cross-validation errors) may not always be the optimal analytical choice for certain crudes. If these crudes hold significant commercial importance, it is crucial to address suboptimal prediction quality through model updates and careful selection. This study focuses on two important crude oils, which experience these issues, and two specific fractions, 550 °C-fbp (final boiling point) and 232–342 °C, that exhibited the highest prediction errors. Updating the models with additional spectra from available crudes, and specifically adding the spectra of the two mentioned crudes, did not show any improvement as far as cross validation errors. The models with the lowest cross-validation errors were further evaluated based on their performance using previously acquired spectra of the two crudes in question. This analysis, weighted heavily by those crudes, reveals substantial differences in prediction errors among the updated models and compared to several models currently in use. Consequently, judicious selection of models for future predictions should consider both generally low cross-validation error and retroactive performance on high-volume, commercially important crudes.

基于ATR-IR（衰减全反射红外）光谱，用于自动生成原油蒸馏馏分的偏最小二乘（PLS）回归模型的优化软件通常会产生多个具有相当精度和复杂性的模型。对于某些原油，仅仅基于最高精度（最低交叉验证误差）选择模型可能并不总是最佳的分析选择。如果这些原油具有重要的商业价值，那么通过模型更新和仔细选择来解决次优预测质量是至关重要的。本研究的重点是两种重要的原油，它们经历了这些问题，以及两个特定馏分，550°C-fbp（终沸点）和232-342°C，表现出最大的预测误差。用现有原油的额外光谱更新模型，特别是添加上述两种原油的光谱，在交叉验证误差方面没有任何改善。交叉验证误差最低的模型使用先前获得的两种原油的光谱进一步评估其性能。这一分析在很大程度上受到了这些原始数据的影响，揭示了更新后的模型与目前使用的几个模型相比，在预测误差方面存在巨大差异。因此，为未来预测选择明智的模型时，应考虑通常较低的交叉验证误差和对大批量、具有重要商业价值的原油的追溯性能。

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引用次数: 0

A lysosome-targeted probe based on naphthalimide with dual response H2S and viscosity and its multiple applications in water samples, food spoilage and cellular inflammation 具有H2S和黏度双重响应的萘酰亚胺溶酶体靶向探针及其在水样、食品腐败和细胞炎症中的应用

IF 4.6 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Pub Date : 2025-12-30 DOI: 10.1016/j.saa.2025.127419

Sha Li, Yanwei Li, Xinyu Xu, Miao Yan, Haixian Ren

Lysosomal viscosity and hydrogen sulfide (H₂S) level are critical parameters closely associated with cellular metabolic homeostasis and inflammatory processes. However, the dynamic correlation between them remains poorly understood due to the lack of effective molecular tools. To address this, we developed a novel lysosome-targeted fluorescent probe, Lys-NIR, for the dual detection of viscosity and H₂S. The probe features a divinyl-bridged naphthalimide donor and a dihydrofuran acceptor, forming a D–π–A architecture that serves as a molecular rotor. Its dual-response mechanism relies on a common CC bond: H₂S triggers a Michael addition reaction, breaking the intramolecular charge transfer (ICT) process and yielding a ratiometric fluorescence signal, while viscosity restricts intramolecular rotation, enhancing emission intensity through suppression of twisted intramolecular charge transfer (TICT). Lys-NIR exhibits red emission, remarkable stability under physiological pH, and low cytotoxicity. It has been successfully applied for colorimetric H₂S detection in environmental water and beer, real-time tracking of H₂S production in food spoilage, monitoring exogenous H₂S in live cells, and simultaneous imaging of H₂S and viscosity dynamics during lysosome-related inflammatory processes. These demonstrations underscore the probe's significant potential in elucidating H₂S-related biological functions, as well as in environmental and food safety monitoring.

溶酶体粘度和硫化氢（H₂S）水平是与细胞代谢稳态和炎症过程密切相关的关键参数。然而，由于缺乏有效的分子工具，它们之间的动态相关性仍然知之甚少。为了解决这个问题，我们开发了一种新的溶酶体靶向荧光探针，Lys-NIR，用于粘度和H₂S的双重检测。该探针具有二乙烯基桥接萘酰亚胺供体和二氢呋喃受体，形成D-π-A结构，作为分子转子。其双响应机制依赖于共通的CC键：H₂S触发Michael加成反应，打破分子内电荷转移（ICT）过程，产生比例荧光信号，而粘度限制分子内旋转，通过抑制分子内扭曲电荷转移（TICT）增强发射强度。Lys-NIR具有红色发射，在生理pH下具有显著的稳定性，并且具有低的细胞毒性。它已成功应用于环境水和啤酒中h2s的比色检测、食品腐败过程中h2s产生的实时跟踪、活细胞中外源性h2s的监测以及溶酶体相关炎症过程中h2s和粘度动态的同步成像。这些证明表明，该探针在阐明与H₂s相关的生物功能以及环境和食品安全监测方面具有重要潜力。

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引用次数: 0

Spectroscopic investigation of polyimide-based long-range surface plasmon resonance for mineral oil hydrocarbon detection in edible oils 聚酰亚胺基远程表面等离子体共振用于食用油中矿物油碳氢化合物检测的光谱研究

IF 4.6 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Pub Date : 2025-12-30 DOI: 10.1016/j.saa.2025.127407

Mohd Hafiz Abu Bakar , Kasturi Indiran , Muhammad Qayyum Othman , Nur Hidayah Azeman , Wan Mohd Ebtisyam Mustaqim Mohd Daniyal , Fairuz Abdullah , Ahmad Ashrif A. Bakar , Nadhratun Naiim Mobarak

This study presents a polyimide (PI)-integrated long-range surface plasmon resonance (LRSPR) sensor specifically designed for the detection of mineral oil hydrocarbon in edible oil matrices. The integration of the PI dielectric layer introduces a novel sensing strategy that combines enhanced plasmon propagation with excellent compatibility for viscous oil media, overcoming limitations commonly faced by conventional plasmonic systems. The PI layer effectively improves light confinement and refractive index sensitivity, resulting in a pronounced red shift and broader FWHM compared to the bare Au configuration. The Au–PI LRSPR exhibited a low detection limit (0.683 ppm) and high linearity (R² = 0.9581), demonstrating superior analytical performance suitable for oil-based sensing applications. Beyond its high sensitivity, the LRSPR system provides real-time, label-free, and non-destructive detection without complex sample preparation. The novelty of this work lies in the application of LRSPR within viscous oil matrix using PI as a dielectric layer, highlighting its potential as a robust, practical, and high-performance platform for in-situ oil quality monitoring and contaminant detection.

本研究设计了一种聚酰亚胺（PI）集成的远程表面等离子体共振（LRSPR）传感器，专门用于食用油基质中矿物油碳氢化合物的检测。PI介电层的集成引入了一种新的传感策略，该策略结合了增强的等离子体传播和对粘性油介质的优异兼容性，克服了传统等离子体系统通常面临的局限性。PI层有效地改善了光约束和折射率灵敏度，与裸Au结构相比，产生了明显的红移和更宽的FWHM。Au-PI LRSPR的检出限低（0.683 ppm），线性度高（R2 = 0.9581），具有优异的分析性能，适用于油基传感应用。除了其高灵敏度，LRSPR系统提供实时，无标签，无损检测，无需复杂的样品制备。这项工作的新颖之处在于将LRSPR应用于使用PI作为介电层的粘性油基质中，突出了其作为原位油品质量监测和污染物检测的强大，实用和高性能平台的潜力。

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引用次数: 0

Ultra-sensitive fluorene-based fluorescent sensors for Hg2+ detection using smartphone-assisted RGB analysis in water and food matrices 利用智能手机辅助RGB分析水和食物基质中Hg2+检测的超灵敏芴荧光传感器

IF 4.6 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Pub Date : 2025-12-30 DOI: 10.1016/j.saa.2025.127420

Süreyya Oğuz Tümay , Halil Duyar , Erdem Sari , Ahmet Şenocak , Buse Köse , Alireza Khataee

Mercury is a highly toxic environmental pollutant due to its bioaccumulation, persistence, and severe neurotoxic effects on human health. In aquatic ecosystems, even trace levels of Hg²⁺ can undergo methylation to form methylmercury, a potent neurotoxin that enters the food chain through water and fish consumption. Developing straightforward, accessible, and reliable strategies for mercury detection remains essential. In this work, two fluorene-based Schiff base fluorescent sensors (2 and 3) were synthesized for highly selective detection of Hg²⁺. Upon interaction with Hg²⁺, both sensors showed a remarkable fluorescence enhancement, mainly due to the suppression of photo-induced electron transfer (PET) and the formation of rigid complexes that favor radiative emission. The 1:1 binding stoichiometry and sensing mechanism were confirmed by Job's plot, Benesi-Hildebrand analysis, Nuclear Magnetic Resonance (NMR) titration, Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry (MALDI-MS), lifetime measurements, and Density Functional Theory (DFT) calculations. Under optimized conditions (λ_ex = 355/345 nm, pH 8.0), the sensors displayed wide linear ranges of 0.50–150.00 μM and 0.30–100.00 μM with low detection limits of 0.15 and 0.08 μM, respectively. Practical applicability was demonstrated through the determination of Hg²⁺ in environmental water and food samples, with recoveries ranging from 96.2 % to 100.6 % and no significant deviation from Inductively Coupled Plasma Mass Spectrometry (ICP-MS) (t_exp < t_critical). Moreover, polystyrene (PS) thin-film kits were developed for on-site analysis. These films, coupled with smartphone-based Red-Green-Blue (RGB) analysis, provided a reusable, robust alternative to paper-based tests. This dual-mode platform offers a practical route for portable and quantitative Hg²⁺ monitoring in environmental and food matrices.

汞是一种高毒性环境污染物，具有生物蓄积性、持久性和对人类健康的严重神经毒性。在水生生态系统中，即使微量的Hg2+也会发生甲基化，形成甲基汞，这是一种强效的神经毒素，通过水和鱼的摄入进入食物链。制定直接、方便和可靠的汞检测战略仍然至关重要。本文合成了两种基于芴的希夫碱荧光传感器（2和3），用于高选择性检测Hg2+。在与Hg2+相互作用后，两种传感器都显示出显著的荧光增强，这主要是由于抑制了光诱导电子转移（PET）和形成有利于辐射发射的刚性配合物。通过Job’s plot、Benesi-Hildebrand分析、核磁共振（NMR）滴定、基质辅助激光解吸/电离质谱（MALDI-MS）、寿命测量和密度泛函理论（DFT）计算证实了1:1的结合化学计量和传感机制。在优化条件（λex = 355/345 nm, pH 8.0）下，传感器的线性范围为0.50 ~ 150.00 μM和0.30 ~ 100.00 μM，检出限分别为0.15和0.08 μM。通过对环境水和食品样品中Hg2+的测定，证明了该方法的实用性，回收率为96.2% ~ 100.6%，与电感耦合等离子体质谱法（ICP-MS）无显著偏差（文本临界）。此外，还开发了用于现场分析的聚苯乙烯（PS）薄膜试剂盒。这些薄膜与基于智能手机的红-绿-蓝（RGB）分析相结合，提供了一种可重复使用的、可靠的替代纸质测试的方法。这种双模平台为环境和食物基质中便携式和定量的Hg2+监测提供了实用的途径。

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