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

{"title":"High-temperature deuterium tracks the thermal stability of hydroxyl in epidote and zoisite","authors":"Chao He ,&nbsp;Xiao-Min Zheng ,&nbsp;Lin Li ,&nbsp;Li Zhang ,&nbsp;M. Santosh ,&nbsp;Sheng-Rong Li","doi":"10.1016/j.saa.2025.126030","DOIUrl":"10.1016/j.saa.2025.126030","url":null,"abstract":"<div><div>Studying the thermal stability of the –OH groups in epidote-group minerals is of significant importance for understanding the deep-water cycle of the Earth. Epidote group minerals are among the common silicate minerals in the mafic oceanic crust of subducting lithospheric plates and are important water carriers in the deep mantle as well as in the Earth’s deep-water cycle. Deuteration reactions offer significant advantages in tracing the thermal stability of the –OH groups in minerals, allowing for the labeling of hydrogen without affecting the mineral structure. The structural properties of epidote and zoisite with different Fe³⁺ contents at various temperatures were studied using X-ray diffraction, Raman spectroscopy, thermogravimetry, and deuterium tracing techniques to understand the influence of Fe³⁺/Al³⁺ substitution on the water-carrying capacity and hydroxyl group thermal stability of epidote group minerals. The results suggest that the axial thermal expansion coefficients of epidote are α₀(a) = 1.42(8)*10⁻⁵/K⁻¹, α₀(b) = 1.77(9)*10⁻⁵/K⁻¹, α₀(c) = 2.7(6)*10⁻⁵/K⁻¹, and zoisite are α₀(a) = 0.85(5)*10⁻⁵/K⁻¹, α₀(b) = 2.13(8)*10⁻⁵/K⁻¹, α₀(c) = 4.16(8)*10⁻⁵/K⁻¹. In addition, the activation temperatures of the epidote and zoisite hydroxyl groups are similar at approximately 573(1) K, and the decomposition temperatures of epidote and zoisite are 1170 K and 1198 K, respectively. The deuteration process of epidote and zoisite before decomposition is divided into two stages: 573–773 K and 823–1123 K, the deuteration degrees of both increased with increasing temperature in each stage. The integral area growth rate of −OD peak in infrared spectroscopy is found to be as follows: 0.0239 K⁻¹ in 573–773 K and 0.1938 K⁻¹ in 823–1123 K for epidote, and 0.0374 K⁻¹ in 573–773 K and 0.1812 K⁻¹ in 823–1123 K for zoisite. Moreover, owing to the Fe³⁺/Al³⁺ substitution, the structural characteristics of zoisite gradually evolve to epidote at high temperatures, and the stability of the hydroxyl group decreases. Therefore, in the geothermal environment of plate subduction, the hydroxyl groups in epidote and zoisite are first activated when the temperature rises to 573 K, followed by the exchange and transport of H⁺ from the surrounding environment or minerals, leading to the dehydration and decomposition of epidote and zoisite. Our results provide key insights into water storage and migration in subduction zones.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"336 ","pages":"Article 126030"},"PeriodicalIF":4.3,"publicationDate":"2025-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143687985","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":"Effects of chromophoric dissolved organic matter on the optical properties of different fluorescent probes","authors":"Zan Long ,&nbsp;Bingni Jia ,&nbsp;Bingqian Jing ,&nbsp;Xiaofeng Liu ,&nbsp;Ke Tian ,&nbsp;Peng Zhang ,&nbsp;Bo Feng ,&nbsp;Taiping Qing","doi":"10.1016/j.saa.2025.126064","DOIUrl":"10.1016/j.saa.2025.126064","url":null,"abstract":"<div><div>The new detection technology represented by fluorescent probe is an effective supplement to the traditional instrument analysis of environmental pollutants. However, background interference is an inevitable obstacle in the fluorescent analysis of complex samples. Dissolved organic matter (DOM) in water is widespread and significantly affects the performance of fluorescent probes in pollutants detection. In this work, the impact of DOM on the performance of fluorescent probes were investigated under different conditions. Firstly, three-dimensional fluorescence spectroscopy of local lake was performed to identify the composition of organic matter in water. The types of chromophoric DOM in local lake mainly include humic acids and tryptophan, and its concentrations varied over time and across different regions. Then, three fluorescent probes with different fluorescence emission were selected to investigate the interaction between DOM (humic acids, tryptophan, and fulvic acid as the interfering substances) and fluorescent groups. The experimental results demonstrated that humic acid significantly reduced the signal intensity of fluorescent probes through mechanisms such as inner filter effects and fluorescence resonance energy transfer. In contrast, tryptophan and fulvic acid had relatively minor impacts. More importantly, the altered pH and ions of the environmental water did not significantly alter the interference of DOM on fluorescent probe. To further verify the influence of chromophoric DOM on fluorescent probes in real water, the water treatment under UV irradiation with H₂O₂ was used for the preparation of simulated water samples. The influence of DOM on fluorescent probes in real water samples was also similar to that in buffer. These results suggested that the chromophoric DOM can effectively affect the spectral properties of different fluorescent probes, and greatly interfere with the sensitivity and accuracy of fluorescence detection. This work help to understand the interference mechanisms of DOM in water, and are significant for improving the accuracy of fluorescent probes in water quality monitoring applications.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"336 ","pages":"Article 126064"},"PeriodicalIF":4.3,"publicationDate":"2025-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643902","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":"Isoniazid (INH) a tuberculosis drug detection using turn-off fluorescent [Ce (o-Van)3 (H2O)3] probe in real samples","authors":"Rajpal,&nbsp;Subhajit Jana ,&nbsp;Ravi Prakash Ojha ,&nbsp;Radhe Shyam,&nbsp;Rajiv Prakash","doi":"10.1016/j.saa.2025.126057","DOIUrl":"10.1016/j.saa.2025.126057","url":null,"abstract":"<div><div>Isoniazid (INH) is an essential antibiotic for the treatment of tuberculosis (TB). The accurate determination of its concentration in the human body is essential and must be monitored carefully because of the risk of severe side effects from prolonged use or overdosing. In this work, we synthesized a turn-off fluorescent sensor based on the coordination complex [Ce(o-Van)₃(H₂O)₃] by a simple precipitation method using cerium (III) nitrate hexahydrate and <em>ortho</em>-vanillin (o-Van) in a 1:3 stoichiometric ratio. The Ce³⁺ ion of the complex is coordinated by three bidentate o-Van ligands and three water molecules. Structural, optical and morphological characterizations were done using HRMS, FT-IR, UV–Vis spectroscopy, XPS, XRD, SEM, and TGA was used to assess thermal stability. The sensor has been proposed to work from the mechanism where the &gt; C=O group of the amide functionality of INH replaces a coordinated water molecule in the complex, leading to fluorescence quenching. With an optimized condition, the fluorescence emission spectra showed the linear response within the concentration ranges 14.47 μM − 147.966 μM with an excellent correlation coefficient value of R² = 0.994. Thus, the proposed sensor had a lower limit of detection (LOD) of 1.63 μM for the INH drug. the as-synthesized [Ce(o-Van)₃(H₂O)₃] probe provides excellent results for the selective detection of INH in pharmaceutical tablets, human urine, and blood samples of healthy people.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"337 ","pages":"Article 126057"},"PeriodicalIF":4.3,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143679862","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":"Efficient energy phosphorescence transfer and reversible phosphorescence in aromatic heterocyclic doped systems for advanced information storage","authors":"Yuyi Li ,&nbsp;Shu Han ,&nbsp;He Zhao ,&nbsp;Jinghe Weng ,&nbsp;Yuehui Liu ,&nbsp;Xueming Li ,&nbsp;Guixia Wang","doi":"10.1016/j.saa.2025.126053","DOIUrl":"10.1016/j.saa.2025.126053","url":null,"abstract":"<div><div>Organic room-temperature phosphorescent (RTP) materials have garnered significant attention in recent years due to their unique advantages, including diverse molecular structures, excellent biocompatibility, and favorable processability. Aromatic heterocyclic groups are known to effectively promote intersystem crossing (ISC), leading to a wide range of applications in this field. In this study, dibenzo[a,c]phenazin-11-yl(phenyl)methanone (<strong>DPM</strong>) was used as an energy acceptor, doped with the host material benzophenone (<strong>BP</strong>) and its derivatives (<strong>BP-R</strong>) as energy donors. After simple mixing and thorough mechanical grinding of both the host and guest components, photophysical process such as Phosphorescence resonance energy transfer (PRET) was activated, resulting in RTP emission. The doped system exhibited efficient golden-yellow phosphorescent emission with a phosphorescence lifetime of 196 ms and quantum yield of 30.5 %. Surprisingly, the <strong>DPM@PMMA</strong> film exhibits a gold-colored room-temperature phosphorescent emission and can be switched “on” and “off” with reversible phosphorescence by exposing the film to acidic and alkaline gases. Notably, the phosphorescent emission properties remain stable after multiple cycles. This doping system is further applied to various methods of information storage and encryption, highlighting its potential for multi-scenario applications.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"336 ","pages":"Article 126053"},"PeriodicalIF":4.3,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643901","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":"Molecular-level differentiation of myopic corneal tissue using Raman spectroscopy and multivariate analysis","authors":"Jiaxin Shi ,&nbsp;Yuqin Lin ,&nbsp;Jing Wang ,&nbsp;Jianzhang Hu ,&nbsp;Zufang Huang","doi":"10.1016/j.saa.2025.126054","DOIUrl":"10.1016/j.saa.2025.126054","url":null,"abstract":"<div><div>Myopia, a prevalent refractive error characterized by excessive axial elongation of the eyeball, is associated with significant visual and societal burdens. While advances in imaging and mechanical studies have elucidated the morphological characteristics of myopic corneas, molecular-level investigations remain limited. This study employed Raman spectroscopy, a label-free analytical technique, to explore biochemical differences in corneal stromal tissues from patients with low and high myopia undergoing small incision lenticule extraction surgery. Spectral analysis revealed distinct variations in carbohydrate metabolism, tryptophan metabolism, and extracellular matrix remodeling, suggesting their critical roles in myopic corneal pathogenesis. Using principal component analysis-linear discriminant analysis, a robust classification model achieved 79.7% accuracy with an AUC value of 0.811, underscoring the potential of Raman spectroscopy for myopia diagnostics. These findings provide insights into the molecular underpinnings of myopic corneas and pave the way for future investigations into targeted diagnostic and therapeutic strategies.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"337 ","pages":"Article 126054"},"PeriodicalIF":4.3,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143725052","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":"Mesoporous Cu2O coated Au/Ag plasmonic nanocomposites as SERS sensing platform for ultrasensitive detection","authors":"Xiangxin Xue ,&nbsp;Zhuo Wang ,&nbsp;Cuimei Zhao ,&nbsp;Yu Qiao ,&nbsp;Ping Wang ,&nbsp;Jing Wang ,&nbsp;Jinghui Shi ,&nbsp;Jie Zhang","doi":"10.1016/j.saa.2025.126061","DOIUrl":"10.1016/j.saa.2025.126061","url":null,"abstract":"<div><div>Surface enhanced Raman scattering (SERS) is a suited detection technique for trace and ultrasensitive detection that extends even to single molecule levels. However, SERS application is currently limited by three main factors: 1) how to create more hotspots to enhance the sensitivity of SERS; 2) how to enrich trace target molecules in SERS hotspots; and 3) how to maintain the stability and reproducibility of SERS detection under environmental interference. In this study, mesoporous Cu₂O coated Au/Ag plasmonic nanocomposites (NCs) were designed and prepared as SERS substrates. The tightly packed Au/Ag nanoaggregates (NAs) create more hotspots, oxygen vacancies in Cu₂O can also enhances Raman signal by photoinduced charge transferring. Meanwhile, mesoporous Cu₂O coating is beneficial for enriching more target molecules, so the as-prepared Au/Ag@Cu₂O NCs showed excellent SERS sensitivity. When the target molecules 4-mercaptobenzoic acid (4-MBA) was detected on the Au/Ag@Cu₂O substrate, the substrate showed high SERS activity. The enhancement factor reached as high as 3.78 × 10⁶, and the detection limit was as low as 10⁻¹¹ M. Meanwhile, the SERS spectra demonstrate excellent selectivity and reproducibility. In addition, the Au/Ag@Cu₂O NCs substrate was applied to detect volatile organic compounds (VOC) pyridine molecules in the air, and when it was naturally adsorbed in air for 20 min, it showed an obvious SERS signal of pyridine. Therefore, these Au/Ag@Cu₂O NCs with high SERS detection performance have important practical value in applications of volatile organic gas molecule.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"336 ","pages":"Article 126061"},"PeriodicalIF":4.3,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143629464","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":"Silver-modified titanium-based MXene as a promising SERS substrate for the characterization of cytotoxic agent cyclophosphamide: Experimental and DFT study","authors":"Shehu Mohammed ,&nbsp;Abdulaziz A. Al-Saadi","doi":"10.1016/j.saa.2025.126055","DOIUrl":"10.1016/j.saa.2025.126055","url":null,"abstract":"<div><div>The emergence of new generations of two-dimensional (2D) nanostructured materials with unique electronic features and efficient charge transfer properties can significantly impact the performance of surface-enhanced Raman scattering (SERS) substrates leading to a fast and reliable spectroanalytical ultra-low concentration detection of bioactive molecules. Due to its short-range charge transfer and superior plasmonic effects, the titanium carbide (Ti₃C₂T_x) family of MXenes has been proven to be a promising candidate for a wide range of optics and sensing-related applications. In this work, the synthesis and characterization of 2D Ti₃C₂T_x MXene layered sheets were carried out. A charge transfer bridging between Ti₃C₂T_x and cyclophosphamide (CPA) drug molecules was successfully established by incorporating silver nanoparticles (AgNPs), resulting in a significantly enhanced Raman response and achieving up to 1 × 10⁻¹⁰ M detection limit of CPA in aqueous media. Spectroscopic and DFT results indicate that the oxazaphosphorine ring, with its heterocyclic nature and multiple electron-rich sites, plays a major role in facilitating the charge transfer mechanism, resulting in a strong analyte-substrate interaction. Given their impressive performance and cost-efficient synthesis protocols, silver-modified metal-based MXene nanocomposites hold great potential for developing a new class of stable SERS substrates, enabling reliable detection in biomedical samples.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"336 ","pages":"Article 126055"},"PeriodicalIF":4.3,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642337","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":"Human serum albumin-encapsulated near-infrared hemicyanine photosensitizers for viscosity imaging and enhanced photodynamic therapy","authors":"Wei Chen ,&nbsp;Haoyang Xiao ,&nbsp;Jiaqi Xing ,&nbsp;Jiarao Sun ,&nbsp;Yanfeng Wang ,&nbsp;Jing Shi","doi":"10.1016/j.saa.2025.126060","DOIUrl":"10.1016/j.saa.2025.126060","url":null,"abstract":"<div><div>The research successfully developed a novel dual-function near-infrared photosensitizer, <strong>CyI</strong>, which is encapsulated with human serum albumin (HSA) to form <strong>CyI-HSA</strong> nanocomplex that can simultaneously monitor the viscosity of cancer cell and enhance the efficacy of photodynamic therapy (PDT). <em>In vitro</em> experiments demonstrated that compared with <strong>CyI</strong> alone, <strong>CyI-HSA</strong> has superior water solubility and high photostability, and can effectively prevent aggregation-caused quenching (ACQ) caused by π-π stacking. Additionally, singlet oxygen quantum yield of <strong>CyI-HSA</strong> as high as 27.4 % under 658 nm laser irradiation, indicating significant PDT potential. Cellular experiments further revealed that <strong>CyI-HSA</strong> can monitor intracellular viscosity with high sensitivity, while generating a substantial amount of singlet oxygen, promoting PDT and cell apoptosis. Treatment of HepG-2 cells with 1 µmol/L <strong>CyI-HSA</strong> reduced cell viability by only 13 % (Laser = 100 mW cm⁻²). Therefore, as a kind of nano-photosensitizer integrating diagnostic and therapeutic functions, <strong>CyI-HSA</strong> has a broad prospect in the application of near-infrared hemicyanine photosensitizers in photodynamic therapy.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"336 ","pages":"Article 126060"},"PeriodicalIF":4.3,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642339","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":"Comparison of variable optimization algorithms for PLS regression models of kerosene content in edible oils","authors":"Wangfei Luo ,&nbsp;Jihong Deng ,&nbsp;Hui Jiang ,&nbsp;Quansheng Chen","doi":"10.1016/j.saa.2025.126045","DOIUrl":"10.1016/j.saa.2025.126045","url":null,"abstract":"<div><div>Edible oils may become contaminated with harmful substance residues during transportation, posing a serious threat to food safety and public health. This study utilized Fourier Transform Near-Infrared (FT-NIR) Spectroscopy to extract spectral data for kerosene content in soybean and corn oil. Three feature selection models, Competitive Adaptive Reweighted Sampling (CARS), Bootstrapping Soft Shrinkage (BOSS), and Iteratively Variable Subset Optimization (IVSO), were applied to Savitzky-Golay (SG) preprocessed data. Using the selected features, Partial Least Squares (PLS) regression models were developed. The CARS-optimized PLS model demonstrated superior generalization performance, achieving an RMSEP of 2.4520 <span><math><mrow><mi>m</mi><mi>g</mi><mo>·</mo><msup><mrow><mi>k</mi><mi>g</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msup></mrow></math></span>, a Predictive correlation coefficient (<span><math><msub><mi>R</mi><mi>P</mi></msub></math></span>) of 0.9711, and a relative prediction deviation (RPD) of 4.2562. These results indicate the feasibility of constructing a quantitative model for detecting kerosene content in soybean and corn oil using FT-NIR Spectroscopy with feature selection algorithms.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"336 ","pages":"Article 126045"},"PeriodicalIF":4.3,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143629429","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":"SERS-based approaches in the investigation of bacterial metabolism, antibiotic resistance, and species identification","authors":"Zhun Nie ,&nbsp;Zhijun Huang ,&nbsp;Zhongying Wu ,&nbsp;Yanlong Xing ,&nbsp;Fabiao Yu ,&nbsp;Rui Wang","doi":"10.1016/j.saa.2025.126051","DOIUrl":"10.1016/j.saa.2025.126051","url":null,"abstract":"<div><div>Surface-enhanced Raman scattering (SERS) is an inelastic scattering phenomenon that occurs when photons interact with substances, providing detailed molecular structure information. It exhibits various advantages including high sensitivity, specificity, and multiple-detection capabilities, which make it particularly effective in bacterial detection and antibiotic resistance research. In this review, we review the recent development of SERS-based approaches in the investigation of bacterial metabolism, antibiotic resistance, and species identification. Although the promising applications have been realized in clinical microbiology and diagnostics, several challenges still limit the further development, including signal variability, the complexity of spectral data interpretation, and the lack of standardized protocols. To overcome these obstacles, more reproducible and standardized methodologies, particularly in nanomaterial design and experimental condition optimization. Furthermore, the integration of SERS with machine learning and artificial intelligence can automate spectral analysis, improving the efficiency and accuracy of bacterial species identification, resistance marker detection, and metabolic monitoring. Combining SERS with other analytical techniques, such as mass spectrometry, fluorescence microscopy, or genomic sequencing, could provide a more comprehensive understanding of bacterial physiology and resistance mechanisms. As SERS technology advances, its applications are expected to extend beyond traditional microbiology to areas like environmental monitoring, food safety, and personalized medicine. In particular, the potential for SERS to be integrated into point-of-care diagnostic devices offers significant promise for enhancing diagnostics in resource-limited settings, providing cost-effective, rapid, and accessible solutions for bacterial infection and resistance detection.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"336 ","pages":"Article 126051"},"PeriodicalIF":4.3,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143628628","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}