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

{"title":"Synthesis, characterization and antimicrobial activity of functionalized amberlite polymer for biomedical application","authors":"Deemah M. Alenazy ,&nbsp;Nasser A. Alamrani ,&nbsp;Nada Alkhathami ,&nbsp;Nadiyah M. Alshammari ,&nbsp;Nada M. Alatawi ,&nbsp;Mashael M. Alharbi ,&nbsp;Sara A. Alqarni ,&nbsp;Nashwa M. El-Metwaly","doi":"10.1016/j.saa.2025.126411","DOIUrl":"10.1016/j.saa.2025.126411","url":null,"abstract":"<div><div>A smart filter with antimicrobial activity is a promising membrane for detoxifying the blood. These toxins, such as creatinine and hippuric acid, were accumulated in the blood resulting from chronic kidney disease. A promising approach to detoxifying the blood involves modifying the surface of the material, designed to absorb toxins from blood components with great effectiveness. Here, the elimination of substances likes creatinine and hippuric acid from blood was investigated in relation to various functional groups in the polymeric adsorbent amberlite. The amino and sulfonate groups were added to the aromatic ring of the amberlite polymer (AM) independently to produce amberlite-NH₂ (AM-NH₂) and amberlite-SO₃H (AM-SO₃H), respectively. The modified polymer was defined using FT-IR, SEM, EDX, and elemental analysis (CHNS) techniques. The adsorption process factors were examined, and the resulting data were modeled using kinetic models, that encompassed pseudo-first-order and pseudo-second-order equations. The pseudo-second-order models provided the best fit to the experimental removal data. After fitting the equilibrium data to both the Freundlich and Langmuir equations, it was discovered that the Langmuir equation adequately captured the equilibrium data. AM-NH₂ showed a 2.75 times improvement in the hippuric acid adsorption capacity rather than parent amberlite (AM), but AM-SO₃H showed approximately 1.63 times increases in the blood toxin (hippuric acid) adsorption capability rather than the original amberlite. In the case of creatinine, the adsorption capacities were 130, 225.6, 385 mg g⁻¹, for AM, AM-NH₂, and AM-SO₃H, respectively. According to the selectivity adsorption process, AM-NH₂ demonstrated selectivity for hippuric acid, while AM-SO₃H was more selective for creatinine. The antibacterial effects of all newly synthesized functional polymer materials on <em>E. coli</em> and <em>S. aureus</em>, along with their antifungal effects against <em>A. niger</em>, were examined. The newly synthesized polymers AM-NH₂ and AM-SO₃H exhibited significant antimicrobial activity, nearly equivalent to that of commercial antibiotics. The inhibition zones of newly synthesized polymers were recorded as 24 mm for <em>E. coli</em>, 25 mm for <em>S. aureus</em>, and 27 mm for <em>A. niger</em>. The Minimum Inhibitory Concentration (MIC) value of newly synthesized polymers was less than parent polymer. The current research will aid in the development of an antimicrobial filter base polymers, which provides a cost-effective and eco-friendly option for use in hemodialysis.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"341 ","pages":"Article 126411"},"PeriodicalIF":4.3,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144072464","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 effect of CQDs’ particle size on its fluorescence behavior and Cu2+ detection","authors":"Ying Liu ,&nbsp;Shang Feng ,&nbsp;Qiufeng Zhu","doi":"10.1016/j.saa.2025.126408","DOIUrl":"10.1016/j.saa.2025.126408","url":null,"abstract":"<div><div>Carbon quantum dots (CQDs) have emerged as promising fluorescent sensors for ion detection due to their tunable optical properties. In this study, CQDs with systematically controlled particle sizes were synthesized via a hydrothermal method to investigate the effect of size on their fluorescence properties and Cu²⁺ detection capabilities. Characterization techniques, including transmission electron microscopy (TEM), X-ray diffraction (XRD), and spectroscopic analysis, revealed that the smaller CQDs particles (&lt;3 nm) exhibited the weaker fluorescence intensity and shorter emission wavelength compared to those of the larger CQDs particles (&gt;3 nm). These phenomena were attributed to quantum confinement effects and surface state modulation, where reduced particle size enhanced quantum confinement, leading to discrete energy levels and blue-shifted emission. However, CQDs with smaller particle size was easy to aggregate in solution because of its high surface energy, which made it difficult to achieve system stability, thus interfering with the detection accuracy. The optimized CQDs demonstrated high sensitivity for Cu²⁺ detection with a linear response in the concentration range of 0–3 mM and a detection limit as low as 0.09 nM. Mechanism studies indicated that Cu²⁺-induced fluorescence quenching followed a dynamic quenching process, where size-dependent surface charge and functional groups (e.g., hydroxyl, carboxyl) influenced the binding affinity between CQDs and Cu²⁺. Smaller CQDs, despite their aggregation tendency, exhibited stronger electrostatic interactions with Cu²⁺ due to their higher surface-to-volume ratio, enhancing detection specificity. This work highlighted the critical role of particle size in tailoring CQDs’ optical properties and sensing performance, providing insights for designing efficient fluorescent probes for environmental monitoring and ion analysis.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"341 ","pages":"Article 126408"},"PeriodicalIF":4.3,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144071092","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":"Predicting the composition of aroma components in Baijiu using hyperspectral imaging combined with a replication allocation strategy-enhanced stacked ensemble learning model","authors":"Yuexiang Huang ,&nbsp;Jianping Tian ,&nbsp;Xinjun Hu ,&nbsp;Haili Yang ,&nbsp;Liangliang Xie ,&nbsp;Yifei Zhou ,&nbsp;Yuanyuan Xia ,&nbsp;Dan Huang ,&nbsp;Kaiping He","doi":"10.1016/j.saa.2025.126398","DOIUrl":"10.1016/j.saa.2025.126398","url":null,"abstract":"<div><div>Ester and acid aroma compounds are crucial components affecting the fragrance of Baijiu, and their composition can endow the Baijiu with a fruity, acidic, floral, or roasted aroma. This study aims to quantitatively detect the ester and acid content in Soy Sauce-Aroma Type Baijiu (SSAB) using hyperspectral imaging (HSI) technology and a stacked ensemble learning (SEL) model. To mitigate the impact of data imbalance, an improved oversampling technique known as the replication allocation strategy (RAS) was utilized. After comparing the study results, it was found that the established RF-RAS-SEL model yielded the best performance, with an Rp2 of 0.9803 and RMSEP of 0.3314 mg/L for predicting ester content and an Rp2 of 0.9914 and an RMSEP of 0.4565 mg/L for predicting acid content. These findings demonstrate that HSI can achieve the non-destructive and accurate detection of esters and acids in SSAB, providing a novel method for analyzing Baijiu aroma.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"341 ","pages":"Article 126398"},"PeriodicalIF":4.3,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144071091","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":"Surface-enhanced Raman spectroscopy based on 2,3-naphthalenedicarboxaldehyde derivative reagent for highly sensitive detection of cysteine and homocysteine","authors":"Qianqian Zhang,&nbsp;Shengping Han,&nbsp;Guican Deng,&nbsp;Xianzai Yan,&nbsp;Jiaxin Hong,&nbsp;Luying Duan,&nbsp;Guoqiang Wu,&nbsp;Yanping Hong,&nbsp;Lili Yu,&nbsp;Chunrong Wang","doi":"10.1016/j.saa.2025.126395","DOIUrl":"10.1016/j.saa.2025.126395","url":null,"abstract":"<div><div>The study presents a simple, efficient, and sensitive methodology which combines condensation reaction with surface-enhanced Raman spectroscopy (SERS) to detect cysteine (Cys) and homocysteine (Hcy). Experimental conditions which include reaction temperature, time, and buffer pH can be used to influence the derivatization reaction of 2,3-dinaphthaldehyde (NDA) with Cys and Hcy. Quantitative analysis was conducted on the characteristic peaks of the products of Cys (1377 cm⁻¹) and Hcy (665 cm⁻¹) after reacting with NDA. The intensity of characteristic Raman peaks is linearly related to the concentrations of Cys and Hcy (10⁻¹²–10⁻⁴ mol/L), with a correlation coefficient R² greater than 0.99. This method combines SERS and derivatization reaction, has significant application potential for detecting Cys and Hcy in biological media because to its excellent sensitivity and simplified use.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"341 ","pages":"Article 126395"},"PeriodicalIF":4.3,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144068862","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 DIE responsive fluorescent probe for phthalate and its application in test paper and hydrogel detection platforms","authors":"Lu-Yu Li,&nbsp;Ze-Kai Li,&nbsp;Jing Shu,&nbsp;Xu-Bo Fan,&nbsp;Xiao-Feng Yu,&nbsp;Ming-Qi Wang","doi":"10.1016/j.saa.2025.126403","DOIUrl":"10.1016/j.saa.2025.126403","url":null,"abstract":"<div><div>Phthalates, classified as priority environmental contaminants, have driven intensive methodological development for environmental monitoring due to their well-documented endocrine-disrupting effects. Despite these imperatives, the design of optical probes for phthalate detection remains challenging probably due to the lack of suitable functional groups/sensing mode. Additionally, the reported probes were applied in the form of suspensions, resulting in difficulties in separation and recovery during the practical applications. Addressing these limitations, we engineered an amphiphilic BODIPY derivative (<strong>BOD-Bea</strong>) featuring a bespoke molecular architecture that self-assembles into non-fluorescent aggregates in aqueous media. Upon dipentyl phthalate (DPP) binding, significant fluorescence and absorption enhancements were elicited through the mechanism of disaggregation-induced emission (DIE). From the titration experiments, both the fluorescence emission at 653 nm and absorption at 576 nm demonstrate linear correlations with DPP concentrations in the range of 0–26 μM. The calculated LODs were determined to be 0.11 μM for fluorescence detection and 1.24 μM for absorption measurement. Detailed binding mechanism reveals that the probe achieves specific DPP recognition through synergistic interactions: π–π stacking anchoring the benzene ring moiety and hydrophobic capturing of the alkyl chain. Finally, probe BOD-Bea has been successfully employed to quantify DPP in the real water samples with good recoveries. Meanwhile, two instrument-free solid sensors based on <strong>BOD-Bea</strong> (<em>i.e.</em>, test paper and hydrogel) are fabricated to rapidly and sensitively monitor DPP. This strategy overcomes the disadvantages of complex and costly pre-treatment of traditional methods and provides a molecular design basis for rapid on-site detection.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"341 ","pages":"Article 126403"},"PeriodicalIF":4.3,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144068861","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 coumarin-based fluorescent probe for sequential recognition of zinc ion and nitric oxide, and its applications in real water sample, fluorescence anti-counterfeiting and bioimaging in vivo","authors":"Li Zhang ,&nbsp;Xinyue Zhu ,&nbsp;Jin Li ,&nbsp;Yu Li ,&nbsp;Hongbo Huang ,&nbsp;Yun Gao ,&nbsp;Yan Gao","doi":"10.1016/j.saa.2025.126405","DOIUrl":"10.1016/j.saa.2025.126405","url":null,"abstract":"<div><div>Zinc (Zn), as an essential trace element in organisms, plays an indispensable role in a series of physiological processes. Similarly, nitric oxide (NO) is an important signaling molecule that is involved in many biological processes. The imbalance of Zn²⁺ and NO levels in organisms could give rise to various related diseases, so it is very significant for the detection of Zn²⁺ and NO. Herein, a novel fluorescent probe (<strong>ASZ</strong>) was constructed for the sequential response to Zn²⁺ and NO using coumarin as fluorophore and aminotetrazole as recognition group. In the presence of Zn²⁺, the weak green fluorescence of probe <strong>ASZ</strong> was obviously enhanced because of the inhibition of PET effect. The PET effect of the system was turned on when NO was added to the generated probe <strong>ASZ</strong>-Zn²⁺ and resulting in the complete quenching of the fluorescence. The detection limits (LODs) of Zn²⁺ and NO by probe <strong>ASZ</strong> were 9.94 nM and 16.8 nM, respectively. Probe <strong>ASZ</strong> was used for detecting Zn²⁺ in practical water sample and the study of fluorescence anti-counterfeiting. Furthermore, probe <strong>ASZ</strong> was successfully applied to bioimaging of exogenous Zn²⁺ and NO in mice due to its high sensitivity, fast response and low cytotoxicity. Therefore, probe <strong>ASZ</strong> can provide a new method for understanding the physiological and pathological effects of Zn²⁺ and NO and environmental monitoring.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"341 ","pages":"Article 126405"},"PeriodicalIF":4.3,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084713","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":"Controllable synthesis of semiconducting anatase TiO2 nanostructures for visible light driven photocatalytic degradation of crystal violet and methylene blue dye","authors":"Prashant D. Sanadi ,&nbsp;Rajvardhan K. Chougale ,&nbsp;Dhanaji B. Malavekar ,&nbsp;Jin Hyeok Kim ,&nbsp;Srinivaas Masimukku ,&nbsp;Guo-Ping Chang-Chien ,&nbsp;Yen-Yi Lee ,&nbsp;Rachana C. Ghaware ,&nbsp;Sanjay S. Kolekar ,&nbsp;Ganesh S. Kamble","doi":"10.1016/j.saa.2025.126404","DOIUrl":"10.1016/j.saa.2025.126404","url":null,"abstract":"<div><div>The colorant dyes represent significant sources of non-aesthetic contamination and have the potential to generate hazardous byproducts via processes such as oxidation, hydrolysis, or other chemical transformations. Consequently, it is imperative to eliminate them from the water before their introduction into the ecosystem. In this study, we have been synthesised anatase TiO₂ photocatalyst by simple chemical co-precipitation method at low temperatures. These obtained nanoparticles are utilized for the degradation of crystal violet (CV), methylene blue (MB) dye under direct sunlight irradiation, exhibiting remarkable efficiency in the photocatalytic degradation of dyes, achieving complete degradation within 30 min. The as-synthesised anatase TiO₂ nanoparticles has been characterised by XRD, Raman spectroscopy, UV–Visible spectra, SEM, TEM and EDAX, BET etc. Hydroxyl radicals prove to be more efficient than other reactive species in scavenger experiments. The synthesized TiO₂ nanoparticles demonstrate outstanding reusability for up to ten cycles.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"341 ","pages":"Article 126404"},"PeriodicalIF":4.3,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144071090","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":"Colorimetric/fluorescent dual-channel recognition of L-tryptophan with rapid and visual sensing of HNQB-Cu(II) in zebrafish and nuts","authors":"Li Zhang ,&nbsp;Yi-Bin Yan ,&nbsp;Li Tong ,&nbsp;Rui Chen ,&nbsp;Yang Zhang","doi":"10.1016/j.saa.2025.126397","DOIUrl":"10.1016/j.saa.2025.126397","url":null,"abstract":"<div><div>In this paper, a fluorescent probe <strong>HNQB-Cu(II)</strong> was designed and synthesized for the rapid and intuitive detection of L-tryptophan. <strong>HNQB-Cu(II)</strong> was prepared from 2-hydroxy-N′-(quinolin-2-ylmethylene)benzohydrazide and copper(II) nitrate. The weak interaction forces of the <strong>HNQB-Cu(II)</strong> probe were studied by DFT calculation, electrostatic filament analysis, interaction region indicator (IRI) research and molecular freedom analysis. Then the fluorescence full scan and anti-interference experiments were carried out for 20 amino acids, and the test results manifested that the <strong>HNQB-Cu(II)</strong> probe has good selective identification performance and anti-interference ability for L-tryptophan. The sensor displayed good advantages in terms of recognition L-tryptophan with high specificity and selectivity, good time stability and low limit of detection (LOD = 3.9466 μM, R² = 0.97802) in DMF. Combined <strong>HNQB-Cu(II)</strong> and paper a strip to detect L-tryptophan through a color change. Interestingly, <strong>HNQB-Cu(II)</strong> exhibits a superior fluorescence effect caudal fin of zebrafish a fluorescence microscope. In order to further research the application of check and measure L-tryptophan, the content of L-tryptophan in three kinds of nuts (pumpkin seeds, walnuts and peanuts) was quantitatively analyzed. The results show that <strong>HNQB-Cu(II)</strong> can reveal the L-tryptophan content more conveniently and quickly.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"341 ","pages":"Article 126397"},"PeriodicalIF":4.3,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144068860","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":"Development of Tb-Anthracene-9-Carboxaldehyde complex as a novel optical biosensor for rapid mycoplasma detection in serum samples of infected chickens","authors":"Ahmed M. Ezzat ,&nbsp;Ahmed O. Youssef ,&nbsp;Mona N. Abou-Omar ,&nbsp;Alaa R.I. Morsy ,&nbsp;Mohamed S. Attia","doi":"10.1016/j.saa.2025.126393","DOIUrl":"10.1016/j.saa.2025.126393","url":null,"abstract":"<div><div>Mycoplasma infections pose significant challenges to the poultry industry, causing substantial economic losses and necessitating rapid and accurate detection techniques. This study introduces a novel luminescent biosensor based on a terbium-Anthracene-9-Carboxaldehyde (Tb-Anthracene-9-Carboxaldehyde) complex functionalized with specific antibodies for sensitively detecting <em>Mycoplasma gallisepticum</em> in poultry serum samples. The sensor’s photophysical properties were optimized by investigating solvent environments and metal-to-ligand molar ratios, with DMSO and a 1:1 ratio yielding optimal luminescence. Antibody integration enhanced selectivity, while the mycoplasma antigen induced a concentration-dependent luminescence increase. The sensor demonstrated a linear response to mycoplasma concentrations, with a correlation coefficient 0.975 and detection limit 0.21 dose. The presence of antibodies enhanced selectivity, while adding mycoplasma antigen resulted in a concentration-dependent increase in luminescence intensity. This optical sensing approach offers a quick, sensitive, and selective method for early mycoplasma detection in complex biological matrices. The novel application of the Tb-Anthracene-9-Carboxaldehyde complex in this context provides a promising tool for monitoring bacterial contamination in the poultry industry, potentially improving food safety and reducing economic losses.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"341 ","pages":"Article 126393"},"PeriodicalIF":4.3,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144068859","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 vertices number determined SERS activity of polyhedra and the application in oral cancer detection based on deep learning","authors":"Shuyu Wang ,&nbsp;Yanwu Ji ,&nbsp;Tingyang Xing ,&nbsp;Zhaonan Xu","doi":"10.1016/j.saa.2025.126390","DOIUrl":"10.1016/j.saa.2025.126390","url":null,"abstract":"<div><div>Due to the inherent specificity and high sensitivity, biomedical detections based on Surface-Enhanced Raman Scattering (SERS) technology have garnered increasing attention. In the SERS detection process, fabricating a highly sensitive SERS substrate is the most critical. Although various methods, such as self-assembly and nanocavities, are used to enhance the local electric field intensity and thus improve SERS activity, the foundation still lies in the preparation of individual noble metal nanoparticles with high SERS activity. The paper models spherical, tetrahedral, cubic, octahedral, and dodecahedral shapes and use the Finite-Difference Time-Domain (FDTD) simulation to study the impact of the number of vertices in polyhedra on the SERS activity of nanoparticles, finding that fewer vertices in the polarization direction of the local electric field can achieve the maximum SERS activity. Based on this result, we fabricated gold nano-tetrahedron SERS substrates and used Rhodamine 6G (R6G) as a probe molecule, measuring a SERS enhancement factor (EF) of 1.1 × 10⁶ at 611 cm⁻¹, with the limit of detection (LOD) of 1 × 10⁻⁹ M and the linear detection range from 2.48 nM to 1000 nM. Additionally, we used these nanoparticles to prepare a SERS substrate for the detection of saliva from oral cancer patients and combined it with the deep learning neural network to achieve intelligent differentiation between different stages oral cancer patients. This study indicates that the combination of SERS technology and deep learning neural network technology has tremendous potential in clinical SERS detection.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"340 ","pages":"Article 126390"},"PeriodicalIF":4.3,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143947353","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}