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

{"title":"Investigating the applicability of a snapshot Computed Tomography Imaging Spectrometer for the prediction of °Brix and pH of grapes","authors":"Mads Svanborg Peters , Mads Juul Ahlebæk , Mads Toudal Frandsen , Bjarke Jørgensen , Christian Hald Jessen , Andreas Krogh Carlsen , Morten Sielnik Andersen , Wei-Chih Huang , René Lynge Eriksen","doi":"10.1016/j.saa.2025.126017","DOIUrl":"10.1016/j.saa.2025.126017","url":null,"abstract":"<div><div>This study compares the performance of a newly developed snapshot hyperspectral imaging (HSI) system based on Computed Tomography Imaging Spectroscopy (CTIS) and a state-of-the-art line scan HSI system for determining soluble solids content (°Brix) and pH values in four table grape cultivars (<em>Sheegene 20</em>, <em>Sugrathirteen</em>, <em>Grapaes</em>, and <em>Sweet Flavor</em>). A total of 318 grapes were imaged and predictions were validated against reference measurements obtained with a refractometer (°Brix) and a pH meter (pH). For the line scan system, Partial Least Squares Regression (PLSR) models based on the full spectral range demonstrated excellent performance with <span><math><mrow><mi>R</mi><mi>M</mi><mi>S</mi><mi>E</mi><msub><mrow><mi>P</mi></mrow><mrow><mtext>Brix</mtext></mrow></msub><mo>=</mo><mn>0</mn><mo>.</mo><mn>63</mn></mrow></math></span>, <span><math><mrow><mi>R</mi><mi>M</mi><mi>S</mi><mi>E</mi><msub><mrow><mi>P</mi></mrow><mrow><mtext>pH</mtext></mrow></msub><mo>=</mo><mn>0</mn><mo>.</mo><mn>09</mn></mrow></math></span>, <span><math><mrow><msubsup><mrow><mi>R</mi></mrow><mrow><mtext>Brix</mtext></mrow><mrow><mn>2</mn></mrow></msubsup><mo>=</mo><mn>0</mn><mo>.</mo><mn>94</mn></mrow></math></span>, and <span><math><mrow><msubsup><mrow><mi>R</mi></mrow><mrow><mtext>pH</mtext></mrow><mrow><mn>2</mn></mrow></msubsup><mo>=</mo><mn>0</mn><mo>.</mo><mn>79</mn></mrow></math></span>. Reducing the spectral range led to a decline in performance, with <span><math><mrow><mi>R</mi><mi>M</mi><mi>S</mi><mi>E</mi><msub><mrow><mi>P</mi></mrow><mrow><mtext>Brix</mtext></mrow></msub><mo>=</mo><mn>1</mn><mo>.</mo><mn>29</mn></mrow></math></span> and <span><math><mrow><mi>R</mi><mi>M</mi><mi>S</mi><mi>E</mi><msub><mrow><mi>P</mi></mrow><mrow><mtext>pH</mtext></mrow></msub><mo>=</mo><mn>0</mn><mo>.</mo><mn>12</mn></mrow></math></span>, and <span><math><mrow><msubsup><mrow><mi>R</mi></mrow><mrow><mtext>Brix</mtext></mrow><mrow><mn>2</mn></mrow></msubsup><mo>=</mo><mn>0</mn><mo>.</mo><mn>76</mn></mrow></math></span> and <span><math><mrow><msubsup><mrow><mi>R</mi></mrow><mrow><mtext>pH</mtext></mrow><mrow><mn>2</mn></mrow></msubsup><mo>=</mo><mn>0</mn><mo>.</mo><mn>69</mn></mrow></math></span>. The CTIS system, despite its narrower spectral range, achieved comparable performance with U-Net reconstructions (<span><math><mrow><mi>R</mi><mi>M</mi><mi>S</mi><mi>E</mi><msub><mrow><mi>P</mi></mrow><mrow><mtext>Brix</mtext></mrow></msub><mo>=</mo><mn>1</mn><mo>.</mo><mn>35</mn></mrow></math></span>, <span><math><mrow><mi>R</mi><mi>M</mi><mi>S</mi><mi>E</mi><msub><mrow><mi>P</mi></mrow><mrow><mtext>pH</mtext></mrow></msub><mo>=</mo><mn>0</mn><mo>.</mo><mn>012</mn></mrow></math></span>, <span><math><mrow><msubsup><mrow><mi>R</mi></mrow><mrow><mtext>Brix</mtext></mrow><mrow><mn>2</mn></mrow></msubsup><mo>=</mo><mn>0</mn><mo>.</mo><mn>74</mn></mrow></math></span>, <span><math><mrow><msubsup><mrow><mi>R</mi></mrow><mrow><mtext>pH</mtext></mrow><mr","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"336 ","pages":"Article 126017"},"PeriodicalIF":4.3,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642342","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"An endoplasmic reticulum-targeted and near-infrared fluorescent probe for determining hydrogen polysulfides derived from a naphthalimide","authors":"Yijie Ma ,&nbsp;Junhong Xu ,&nbsp;Qiujuan Ma ,&nbsp;Guojiang Mao ,&nbsp;Shuqi Hou ,&nbsp;Yujie Lian ,&nbsp;Ning Cui ,&nbsp;Ruxue Xia","doi":"10.1016/j.saa.2025.126033","DOIUrl":"10.1016/j.saa.2025.126033","url":null,"abstract":"<div><div>Hydrogen polysulfides (H₂S_n, n <strong>&gt;</strong> 1) was the oxidized form of H₂S and plays significant roles in physiological and pathological processes. Abnormal levels of H₂S_n is associated with a series of physiological diseases. The endoplasmic reticulum-targetable fluorescent probes are rare for determining H₂S_n. Therefore, quantitative detection of H₂S_n levels in the endoplasmic reticulum is extremely crucial. In this study, a naphthalimide-based near-infrared fluorescent probe was constructed for detecting H₂S_n in the endoplasmic reticulum. 2-Fluoro-5-nitrobenzoate was chose as the H₂S_n sensing element. Before the addition of H₂S_n, the probe exhibited very weakly fluorescence at 700 nm. After adding H₂S_n, the probe demonstrated intense red fluorescence at 700 nm. The probe responded rapidly and exhibited excellent selectivity and sensitivity. And the probe displayed negligible cytotoxicity and had been successfully utilized for near-infrared imaging of H₂S_n within the endoplasmic reticulum of A549 cells. Additionally, the probe was also employed for imaging H₂S_n in zebrafish and exhibited satisfied results.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"336 ","pages":"Article 126033"},"PeriodicalIF":4.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143620725","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}

{"title":"Sensitive SERS detection of trace methamphetamine in complex samples through sharp-spiked gold nanostructure","authors":"Junyu Su ,&nbsp;Lingyi Zhao ,&nbsp;Ruiqin Yang ,&nbsp;Xiaowan Zhang ,&nbsp;Chenchen Wang ,&nbsp;Liming Li ,&nbsp;Lei Wang ,&nbsp;Xin Sun ,&nbsp;Wei Wei ,&nbsp;Yong Wang","doi":"10.1016/j.saa.2025.126037","DOIUrl":"10.1016/j.saa.2025.126037","url":null,"abstract":"<div><div>Taking a massive overdose of methamphetamine (MAMP), which is one of the most prevalent illicit drugs in the world, will stimulate central nervous system, impair both physical and mental health and even lead to death. Therefore, the rapid quantitative testing in the field of MAMP is of great importance to law enforcement agencies. In this study, a branched, sharp-spiked gold nanostructure, named AuNS@4-MBA, is successfully synthesized at room temperature. The quantitative detection of MAMP is achieved through surface-enhanced Raman scattering (SERS) using the AuNS@4-MBA substrate. Due to the unique morphology of the nanostructure, numerous “hot spots” are formed, providing optimal conditions for sensitive detection. Upon activation of the system using EDC/NHS, the SERS signal intensity at 1080 cm⁻¹ exhibits a gradual decrease as the MAMP concentration increases. This reduction can be attributed to the formation of amide compounds in the vicinity of 4-MBA, which not only interferes with the 4-MBA signal but also suppresses the aggregation of gold nanostars. Under optimized experimental conditions, the detection limit for MAMP was determined to be 1.3 × 10⁻⁸ M (1.96 ng/mL), with a linear detection range spanning from 5 × 10⁻⁸ M to 5 × 10⁻⁴ M. Kinetic and isotherm analyses revealed that the capture of MAMP onto the AuNS@4-MBA surface follows pseudo-second-order kinetics and adheres to the Langmuir model. Furthermore, this highly accurate detection method demonstrates exceptional efficacy in complex biological and environmental matrices. Its universal applicability extends to the detection of illicit drugs containing amine groups, underscoring its potential as a robust tool for forensic analysis and rapid on-site drug screening at crime scenes.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"336 ","pages":"Article 126037"},"PeriodicalIF":4.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143628627","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}

{"title":"The development of multicolor carbon dots and their applications in the field of anti-counterfeiting","authors":"Zixin Liu ,&nbsp;Tianze Li ,&nbsp;Qiuyan Yan ,&nbsp;Hong Zeng ,&nbsp;Lihui Li ,&nbsp;Yuanyuan Dong","doi":"10.1016/j.saa.2025.126046","DOIUrl":"10.1016/j.saa.2025.126046","url":null,"abstract":"<div><div>The diversity of photoluminescence emission of multicolor carbon dots (mCDs) greatly broadens their application field. Counterfeiting is a problem that has serious consequences for individuals and society. The fluorescent ink based on mCDs has been developed due to their low toxicity and good resistance to photobleaching in the field of anti-counterfeiting. In the background, the preparation strategies of mCDs were discussed in detail, including top-down method and bottom-up method. The common carbon sources for the preparation of mCDs were further summarized, such as phenylenediamine class, amino-substituted naphthalene class, dihydroxyhenzene and benzoquinone class, biomass, and other common carbon sources. Furthermore, in order to understand the structure of CDs, this paper focused on the classification and common characterization techniques of CDs. In addition, the application of mCDs as fluorescent ink in the field of anti-counterfeiting was classified by simple anti-counterfeiting and good multiple anti-counterfeiting. Finally, the paper offered insight into the future development prospects of CDs-based fluorescent ink based on the current development trends.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"336 ","pages":"Article 126046"},"PeriodicalIF":4.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143628629","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}

{"title":"Advancing anaerobic microbial studies with in situ Raman spectroscopy: Methanogenic archaea as a model","authors":"Jintao Zhuo ,&nbsp;Rikuan Zheng ,&nbsp;Zhendong Luan ,&nbsp;Lianfu Li ,&nbsp;Shichuan Xi ,&nbsp;Zengfeng Du ,&nbsp;Wanying He ,&nbsp;Chaomin Sun ,&nbsp;Xin Zhang","doi":"10.1016/j.saa.2025.126043","DOIUrl":"10.1016/j.saa.2025.126043","url":null,"abstract":"<div><div>Methanogenic archaea play a critical role in methane (CH₄) production and the global carbon cycle, yet accurately monitoring their gas metabolism under anaerobic conditions remains a technical challenge. In this study, we developed a Raman spectroscopy-based gas quantification model, achieving high-precision monitoring of CO₂–N₂–CH₄ ternary gas mixtures over a temperature range of 12–52 °C. The model exhibited strong linear correlations between the Raman peak area ratios and gas molar ratios, which were further validated against gas chromatography, revealing no significant differences (<em>p</em> &gt; 0.05). This confirms the reliability and accuracy of the approach.. Building upon this model, we conducted real-time monitoring of the gas metabolism of methylotrophic methanogenic archaea under anaerobic conditions. The results demonstrated that methanol concentration significantly influenced the gas production kinetics. At a methanol concentration of 10 μL/mL, the highest CH₄ yield (59.97 %) was achieved, along with stable metabolic activity. In contrast, higher concentrations caused substrate saturation effects, leading to decreased metabolic efficiency. Furthermore, by integrating Raman spectroscopy with high-precision pressure monitoring, this study successfully achieved real-time molar quantification of CH₄ and CO₂ during methanogen cultivation. This approach provided detailed insights into gas production dynamics and substrate utilization patterns. Compared to traditional methods, this non-destructive, real-time monitoring platform offers a novel tool for anaerobic metabolism research and lays a solid foundation for applications in biogas optimization, industrial fermentation, and renewable energy development.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"336 ","pages":"Article 126043"},"PeriodicalIF":4.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143620729","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Changes in absorption spectra of indocyanine green after visible light exposure and cold dark storage","authors":"Magdalena Szpunar ,&nbsp;David Aebisher ,&nbsp;Andrzej Wal","doi":"10.1016/j.saa.2025.126048","DOIUrl":"10.1016/j.saa.2025.126048","url":null,"abstract":"<div><div>Indocyanine green (ICG) is commonly used as a fluorescent cardiovascular imaging agent, but its stability under different conditions remains insufficiently studied. This research examines the photochemical stability and aggregation behaviour of ICG in aqueous solutions subjected to visible light irradiation and during cold, dark storage. ICG solutions at different concentrations were exposed to visible light, and changes in absorption spectra were monitored over time. Exponential decreases in the absorption maxima were observed for both monomeric and dimeric ICG during irradiation. These changes were modelled, allowing for the description of decay processes caused by irradiation for monomers and dimmers, respectively. Furthermore, after a month of dark storage at 4 °C, a decrease in absorption was observed, accompanied by the formation of J-aggregates. These results indicate that ICG undergoes significant structural changes that may affect its fluorescence properties, with potential applications for use in photodynamic therapy. More research is needed to explore the impact of these changes on the performance of ICG in vivo.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"336 ","pages":"Article 126048"},"PeriodicalIF":4.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643900","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}

{"title":"A novel dual-function peptide-based fluorescent probe with large Stokes shift for the simultaneous detection and quantification of Ag(I) and Hg(II) ions","authors":"Chunmei Pu,&nbsp;Shiyang Li,&nbsp;Xinlin Cao,&nbsp;Yi Ren,&nbsp;Ruihan Bai,&nbsp;Fengling You,&nbsp;Peng Wang","doi":"10.1016/j.saa.2025.126032","DOIUrl":"10.1016/j.saa.2025.126032","url":null,"abstract":"<div><div>Achieving highly selective detections of Ag⁺ and Hg²⁺ is of great importance because their excessive emission can cause many diseases. Herein, a novel large Stokes shift fluorescent probe <strong>DKT</strong> based on dansyl fluorophore modified peptide biomolecules (NH₂-Thr-Lys-Thr-NH₂) was successfully synthesized, which can simultaneously detect Ag⁺ (turn on) and Hg²⁺ (turn off) based on different fluorescent response patterns in 100% aqueous solution. <strong>DKT</strong> also enables quantitative detection of Ag⁺ and Hg²⁺ with LODs of 37.1 nM and 26.7 nM, respectively. Besides, ESI-HRMS spectra, Job’s plot, and fluorometric titration confirmed that the binding stoichiometry was determined to be 2: 1 between <strong>DKT</strong> and Ag⁺/Hg²⁺. Moreover, <strong>DKT</strong> has good fluorescence stability and rapidly detected Ag⁺ and Hg²⁺ over a wide pH range. Furthermore, <strong>DKT</strong> was applied to quantitative detect Ag⁺ and Hg²⁺ in three actual water samples, three tea samples and watermelon juice, which exhibited that <strong>DKT</strong> has good potential for accuracy in environmental monitoring and water quality control. Additionally, the results of fluorescence bioimaging showed that <strong>DKT</strong> had significant distinguishing ability to detect Ag⁺ and Hg²⁺ in living cells and zebrafish larvae. More importantly, smartphone <em>App</em> platform based on <strong>DKT</strong> not only provided a reliable new method for the field quantitative monitoring of Ag⁺ and Hg²⁺, but also expanded its application prospect in the field of heavy metal ions pollution detection.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"336 ","pages":"Article 126032"},"PeriodicalIF":4.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143629428","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}

{"title":"ARCHER. A new algorithm for automatic removal of cosmic spikes and saturated pixels in hyperspectral Raman spectroscopy","authors":"Enmanuel Cruz Muñoz ,&nbsp;Davide Ballabio ,&nbsp;José Manuel Amigo","doi":"10.1016/j.saa.2025.126041","DOIUrl":"10.1016/j.saa.2025.126041","url":null,"abstract":"<div><div>One of the most challenging preprocessing steps in Raman spectroscopy is the removal of cosmic spikes that interfere with genuine Raman modes. Software packages offer built-in methods for their detection and removal, but these are not entirely effective and/or well-documented. In this work, we propose a new algorithm called ARCHER for cosmic spike correction, specifically designed for Hyperspectral Raman Imaging, that combines different steps and factorizations for effective and automatic cosmic spike detection. ARCHER can also detect saturated pixels, which must be necessarily removed after addressing any further multivariate analysis. The algorithm was optimized using D-optimal design to set its internal parameters. The validation was double-checked by application on different artificial images, facing several degrees of complexity to identify potential weaknesses. Finally, the algorithm was tested against real hyperspectral images in the presence of saturated and noisy pixels.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"336 ","pages":"Article 126041"},"PeriodicalIF":4.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143628623","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Split T7 switch-based orthogonal logic operation of fluorogenic RNA aptamer for small molecules detection","authors":"Hao Liu,&nbsp;Jia-Min Peng,&nbsp;Cheng-Jun Zha,&nbsp;Mei Su,&nbsp;Zhan-Ming Ying","doi":"10.1016/j.saa.2025.126044","DOIUrl":"10.1016/j.saa.2025.126044","url":null,"abstract":"<div><div>Recent advances in fluorescent biosensors have stimulated the development of molecular detection. We herein developed a new orthogonal logic operation of fluorescent biosensor with cell-free to accomplish the detection of atrazine (ATZ) and tetrachlorobiphenyls (PCB77). The transcriptional process to generate fluorescent RNA aptamers (Mango) was controlled by molecules-probe bindings, which regulate split T7 promoter transcription switches ON or OFF. Leveraging the rapid in vitro T7 transcription process and high signal-to-background ratio of the Mango-TO1-Biotin complex, this biosensor demonstrates remarkable sensitivity in detecting ATZ and PCB77, with detection limit of 1.56 pM and 10.2 pM. Moreover, the orthogonality of four logic gates (AND, NOR, INHIBT, NIMPLY) were utilized the ATZ and PCB77 as input to construct, which could be activated by utilizing the target probe-driven association. The output of the fluorescence signal was controlled by split/intact fluorescent RNA aptamer (Mango) to achieve flexible and sensitive orthogonal operations. Significantly, the development of two-input logic gates has enabled the modular detection of various small molecules, offering a promising approach to intelligent multi-input analysis. Predictably, with the advantages of sensitivity, flexibility and easy-to-operate, this orthogonal logic gate platform holds immense potential in small molecules detection.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"336 ","pages":"Article 126044"},"PeriodicalIF":4.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143620727","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}

{"title":"The encapsulation of pyrene-substituted amphiphilic polymers within the interfaces of hydrophobic/hydrophilic core-shell silica gel for the detection of nitroaromatic compounds","authors":"Bengi Ozgun Ozturk,&nbsp;Aleyna Hillik","doi":"10.1016/j.saa.2025.126047","DOIUrl":"10.1016/j.saa.2025.126047","url":null,"abstract":"<div><div>This study reports the encapsulation of pyrene-substituted amphiphilic polymers within void interfaces of mesoporous core–shell silica gel, specifically engineered for fluorescence-based detection of NACs in both aqueous and organic media. The hydrophobic shell of the silica gel enhances the diffusion of hydrophobic NACs to the silica gel core, where the confined pyrene-substituted amphiphilic polymer acts as a sensor, enabling efficient fluorescence quenching in both aqueous and organic media. The sensor exhibited strong quenching responses, particularly for TNT, with a Stern-Volmer constant of 7.51 × 10⁴ M⁻¹ in dichloromethane and 6.30 × 10⁴ M⁻¹ in water. The sensor also demonstrated excellent reusability, retaining over 95 % of its original fluorescence intensity after four quenching cycles. These results highlight the potential of pyrene-encapsulated core–shell silica gels as highly sensitive, reusable fluorescence sensors for NAC detection, offering promising environmental monitoring and security applications.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"336 ","pages":"Article 126047"},"PeriodicalIF":4.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143636738","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}