Vibrational Spectroscopy最新文献

Raman spectroscopic evaluation of silver diamine fluoride in preventing acid-induced caries progression 二胺氟化银预防酸致龋进展的拉曼光谱评价

IF 3.1 3区化学

Vibrational Spectroscopy Pub Date : 2025-09-05 DOI: 10.1016/j.vibspec.2025.103856

Agata Daktera-Micker , Maciej Rzeczkowski , Zuzanna Buchwald , Tomasz Buchwald

{"title":"Raman spectroscopic evaluation of silver diamine fluoride in preventing acid-induced caries progression","authors":"Agata Daktera-Micker , Maciej Rzeczkowski , Zuzanna Buchwald , Tomasz Buchwald","doi":"10.1016/j.vibspec.2025.103856","DOIUrl":"10.1016/j.vibspec.2025.103856","url":null,"abstract":"<div><div>The antibacterial mechanisms of silver diamine fluoride, as well as its ability to prevent tooth caries, are well-established. The aim of this study was to provide a clear evaluation of whether silver diamine fluoride, in addition to its antibacterial properties, is capable of inhibiting the progression of dental caries in an acidic environment to the same extent as silver nitrate. The results will help determine which of these two compounds has greater potential for application in the prevention and treatment of early carious lesions. To achieve this goal, studies were conducted on teeth under four conditions: healthy, after first demineralization, following the application of the tested compounds, and after second demineralization. At each stage of the research, Raman spectroscopy was used to assess changes in the enamel structure. These findings showed that, although neither compound completely inhibits the progression of demineralization, both can slow it down. Furthermore, no significant differences were observed between the two compounds in their effectiveness in reducing lesion progression. A notable observation was that the silver diamine fluoride was washed away by the demineralizing solution, causing the protective barrier it provided to disappear. This finding may be attributed to the limited penetration depth of the compounds into the enamel. The compounds primarily penetrated the demineralized areas, but the depth of enamel demineralization in our study was approximately 200 µm. This limited penetration could explain the washing out of the compound and its reduced effectiveness in inhibiting demineralization.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"141 ","pages":"Article 103856"},"PeriodicalIF":3.1,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145005238","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The usage of ATR-FTIR spectroscopy combined with chemometrics in postmortem diagnosis of acute myocardial infarction ATR-FTIR光谱联合化学计量学在急性心肌梗死死后诊断中的应用

IF 3.1 3区化学

Vibrational Spectroscopy Pub Date : 2025-09-04 DOI: 10.1016/j.vibspec.2025.103857

Mustafa Talip Sener , Nihal Simsek Ozek , Ferhunde Aysin , Sezen Yildiz , Ozkan Aksakal

{"title":"The usage of ATR-FTIR spectroscopy combined with chemometrics in postmortem diagnosis of acute myocardial infarction","authors":"Mustafa Talip Sener , Nihal Simsek Ozek , Ferhunde Aysin , Sezen Yildiz , Ozkan Aksakal","doi":"10.1016/j.vibspec.2025.103857","DOIUrl":"10.1016/j.vibspec.2025.103857","url":null,"abstract":"<div><div>Myocardial infarction (MI) represents a leading cause of sudden death; however, the identification of acute MI in postmortem examinations remains challenging due to the lack of specific early morphological markers. This study explores the utility of attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy, in combination with chemometric analysis, for the postmortem diagnosis of MI. A rat model of MI was employed, and the expression levels and protein concentrations of JUNB and myoglobin (MYO) were quantified to corroborate the spectral findings. ATR-FTIR analysis revealed significant alterations in collagen and nucleic acid content between the control and MI groups, particularly during the early postmortem intervals. Principal component analysis (PCA) and hierarchical cluster analysis (HCA) successfully differentiated between groups, achieving 100 % sensitivity and specificity, and 97 % classification accuracy through PCA-based linear discriminant analysis (LDA). Support vector machine (SVM) classification further confirmed these findings. Notably, spectral changes at 3285, 3016, 2920, 1338, 1236, and 974 cm⁻¹ exhibited strong correlations with JUNB and MYO gene and protein levels. This integrative approach demonstrates that ATR-FTIR spectroscopy, combined with multivariate analysis and molecular markers, offers a rapid, non-destructive, and highly accurate method for the early postmortem diagnosis of acute MI, highlighting its potential for forensic and clinical applications.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"141 ","pages":"Article 103857"},"PeriodicalIF":3.1,"publicationDate":"2025-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145005239","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Spectroscopic profiling of lipid and protein alterations in kidney tissue induced by coated MoS2 quantum dots 包被二硫化钼量子点诱导肾组织脂质和蛋白质改变的光谱分析

IF 3.1 3区化学

Vibrational Spectroscopy Pub Date : 2025-08-25 DOI: 10.1016/j.vibspec.2025.103848

Eida M. Alshammari , Soheib D. Alsahafi , Ohoud A. A Alamri , Norah T.S. Albogamy , Ebtihaj Jambi , Abeer M. Alosaimi , Saedah R. AlMhyawi , Reem Alwafi , Abdu Saeed

{"title":"Spectroscopic profiling of lipid and protein alterations in kidney tissue induced by coated MoS2 quantum dots","authors":"Eida M. Alshammari , Soheib D. Alsahafi , Ohoud A. A Alamri , Norah T.S. Albogamy , Ebtihaj Jambi , Abeer M. Alosaimi , Saedah R. AlMhyawi , Reem Alwafi , Abdu Saeed","doi":"10.1016/j.vibspec.2025.103848","DOIUrl":"10.1016/j.vibspec.2025.103848","url":null,"abstract":"<div><div>Molybdenum disulfide (MoS<sub>2</sub>) quantum dots (QDs) possess unique physicochemical properties that make them attractive for biomedical applications. However, their interactions with biological tissues at the molecular level remain insufficiently understood. In this study, we employed spectroscopic techniques to investigate molecular alterations in the lipids and proteins of murine kidney tissue following exposure to coated MoS<sub>2</sub> QDs. Healthy male SWR/J mice were divided into control and treated groups, with the latter receiving daily doses of encapsulated QDs. Spectroscopic analyses revealed subtle yet consistent changes in lipid composition and organization, evidenced by shifts in CH₂ and CH₃ stretching vibrations and decreased intensity in lipid-associated Raman bands. FTIR spectra also indicated a reduction in carbonyl ester content, suggesting lipid peroxidation effects. Additionally, minor perturbations in aromatic amino acid bands and heme-associated features were observed in UV-Vis spectra, indicating possible interactions with protein residues; however, no significant secondary structural changes in proteins were detected. These results demonstrate the utility of spectroscopic approaches in revealing molecular alterations induced by coated MoS<sub>2</sub> QDs in kidney tissue. Additionally, these findings confirm the importance of utilizing integrated spectroscopic approaches for evaluating the biocompatibility and safety of emerging nanomaterials at the molecular level.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"140 ","pages":"Article 103848"},"PeriodicalIF":3.1,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144906921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Surface-enhanced Raman spectroscopy coupled with DFT for sensitive detection of tadalafil in complex matrices 表面增强拉曼光谱耦合DFT用于复杂基质中他达拉非的灵敏检测

IF 3.1 3区化学

Vibrational Spectroscopy Pub Date : 2025-08-22 DOI: 10.1016/j.vibspec.2025.103847

John J. Castillo , Tomas Rindzevicius , Ciro E. Rozo , Lasse Højlund Eklund Thamdrup , Anja Boisen

{"title":"Surface-enhanced Raman spectroscopy coupled with DFT for sensitive detection of tadalafil in complex matrices","authors":"John J. Castillo , Tomas Rindzevicius , Ciro E. Rozo , Lasse Højlund Eklund Thamdrup , Anja Boisen","doi":"10.1016/j.vibspec.2025.103847","DOIUrl":"10.1016/j.vibspec.2025.103847","url":null,"abstract":"<div><div>Tadalafil (TDF), a widely prescribed phosphodiesterase-5 inhibitor, is not only a clinically important pharmaceutical for erectile dysfunction but also a frequently encountered adulterant in counterfeit supplements, raising serious public health and regulatory concerns. This study presents a novel and integrated approach for the sensitive and selective detection of TDF in complex commercial matrices, combining experimental Surface-Enhanced Raman Scattering (SERS) spectroscopy with Density Functional Theory (DFT) simulations. The molecular geometry of TDF was optimized at the B3LYP/6–311 G(d) level, and theoretical Raman and SERS spectra were generated using a mixed basis set. A molecular electrostatic potential (MEP) map was constructed to identify key adsorption sites, offering mechanistic insights into SERS enhancement. Experimentally, gold-capped silicon nanopillar (AuNP) substrates enabled detection of TDF across a wide concentration range (0.75–100 µM). Through SERS mapping and calibration, we established a linear correlation between signal intensity and TDF concentration. Most importantly, the method demonstrated real-world applicability by successfully detecting TDF in spiked commercial multivitamin tablets. Finally, this work provides a robust sensing platform for detecting illicit pharmaceutical adulterants, bridging theoretical modeling with practical SERS analytics, and offering valuable tools for regulatory monitoring and consumer safety.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"140 ","pages":"Article 103847"},"PeriodicalIF":3.1,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144903956","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Infrared phenomics with 2D-COS unveils spatial heterogeneity and chemical evolution in a microbial biofilm 利用2D-COS的红外表型组学揭示了微生物生物膜的空间异质性和化学演化

IF 3.1 3区化学

Vibrational Spectroscopy Pub Date : 2025-08-13 DOI: 10.1016/j.vibspec.2025.103846

Pan Yang , Yadi Wang , Feng Geng , Junhong Lü , Xueling Li

引用次数: 0

Vibrational spectroscopy of urine combined with support vector machine for lupus nephritis diagnosis research 尿液振动光谱结合支持向量机诊断狼疮性肾炎的研究

IF 3.1 3区化学

Vibrational Spectroscopy Pub Date : 2025-08-11 DOI: 10.1016/j.vibspec.2025.103845

Xiaojing Sun , Zhaonan You , Yu Du , Bingqian Ran , Guohua Wu , Ying Tan , Longfei Yin

{"title":"Vibrational spectroscopy of urine combined with support vector machine for lupus nephritis diagnosis research","authors":"Xiaojing Sun , Zhaonan You , Yu Du , Bingqian Ran , Guohua Wu , Ying Tan , Longfei Yin","doi":"10.1016/j.vibspec.2025.103845","DOIUrl":"10.1016/j.vibspec.2025.103845","url":null,"abstract":"<div><div>Lupus nephritis (LN) is one of the most common and serious organ manifestations of systemic lupus erythematosus (SLE), with a poor long-term prognosis and a complex diagnostic process, therefore it is important to find a simple, rapid and non-invasive method for the diagnosis of LN. This study investigated the feasibility of using surface-enhanced Raman spectroscopy (SERS) and Fourier Transform Infrared (FT-IR) spectroscopy of urine samples to classify healthy volunteers and LN patients. SERS and FT-IR data of urine samples were obtained from 100 LN patients and 100 healthy volunteers. To verify the stability of the classification algorithm, 50 independent experiments were conducted. In each experiment, the dataset was randomly divided and a classification model was established using the support vector machine (SVM) algorithm (linear kernel function). Meanwhile, it was compared with four other common classification algorithms and the results showed that SVM model had the best effect. The average classification accuracy of SERS and FT-IR spectra combined with SVM model for 50 independent experiments reached 96.97 % and 92.77 %, respectively. In addition, the features of SERS and FT-IR were spliced and then combined with SVM model for classification, corresponding to an average classification accuracy of 97.63 %. Subsequently, genetic algorithm was used to perform feature selection on the spliced features, and the 16 selected features were also input into SVM model, with an average classification accuracy of 99.47 % over 50 independent experiments. Therefore, urine vibrational spectroscopy combined with SVM model has great potential in the diagnosis of lupus nephritis.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"140 ","pages":"Article 103845"},"PeriodicalIF":3.1,"publicationDate":"2025-08-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144841505","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Spectral denoising approach using enhanced wavelet packet-optimized EEMD algorithm 基于增强小波包优化EEMD算法的频谱去噪方法

IF 3.1 3区化学

Vibrational Spectroscopy Pub Date : 2025-08-05 DOI: 10.1016/j.vibspec.2025.103844

Gang Liu, Xin Chen, Yi Zhang, Haibo Liang

{"title":"Spectral denoising approach using enhanced wavelet packet-optimized EEMD algorithm","authors":"Gang Liu, Xin Chen, Yi Zhang, Haibo Liang","doi":"10.1016/j.vibspec.2025.103844","DOIUrl":"10.1016/j.vibspec.2025.103844","url":null,"abstract":"<div><div>The quantification of hydrocarbon gases within formation fluids is paramount for the detection and evaluation of oil and gas reservoirs through well-logging geophysical techniques. Nonetheless, the spectral data are frequently fraught with complexity and noise contamination, attributable to the heterogeneous nature and extensive concentration spectrum of alkane gases, coupled with environmental interferences. This pervasive noise can markedly distort the absorption spectra, consequently compromising the accuracy of alkane gas quantification. The imperative challenge lies in the precise denoising of acquired infrared spectra while meticulously preserving the signal-to-noise ratio and spectral resolution. This present an innovative denoising methodology for infrared spectral analysis, leveraging an advanced wavelet packet coupled with an optimized Ensemble Empirical Mode Decomposition algorithm. This approach initially employs a bivariate correlation analysis to discern and isolate the noisy components within the Intrinsic Mode Functions. Subsequently, it harnesses the sample entropy of the noise signals in tandem with the Grey Wolf Optimization algorithm to ascertain the most efficacious threshold set for each IMF component. The methodology culminates in the formulation of threshold parameters through the synthesis of the sample entropy of wavelet packet coefficients with the correlation coefficients of the noise, thereby tailoring the threshold function to the distinct noise attributes of each wavelet coefficient. Empirical findings demonstrate that our approach outperforms conventional denoising techniques, achieving superior signal-to-noise ratios and resolution, with an average perturbation to characteristic peaks of less than 0.3 %.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"140 ","pages":"Article 103844"},"PeriodicalIF":3.1,"publicationDate":"2025-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144851987","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Near-infrared spectroscopy and ensemble learning modeling for moisture detection in forest floor leaf litter 森林凋落叶水分探测的近红外光谱与集合学习模型

IF 3.1 3区化学

Vibrational Spectroscopy Pub Date : 2025-07-25 DOI: 10.1016/j.vibspec.2025.103841

Tao Zhu, Jian Xing

{"title":"Near-infrared spectroscopy and ensemble learning modeling for moisture detection in forest floor leaf litter","authors":"Tao Zhu, Jian Xing","doi":"10.1016/j.vibspec.2025.103841","DOIUrl":"10.1016/j.vibspec.2025.103841","url":null,"abstract":"<div><div>The moisture content of forest floor litter is a critical indicator for assessing forest ecosystem stability and predicting wildfire risks. Traditional near-infrared (NIR) spectroscopy methods face limitations in species applicability and model accuracy. To enhance detection generalization capability and accuracy, this study proposes a moisture content detection model optimized by differential evolution (DE) algorithm and introduces an improved triangular kernel function (ITK) for least squares support vector machine (LSSVM) regression prediction, constructing a DE-LSSVM-ITK-based litter moisture content detection model. Using forest floor litter from Quercus mongolica, Fraxinus mandshurica, and Larix gmelinii as research subjects, the model employed a ten-fold cross-validation strategy to train and ensemble 10 optimal models, with the average prediction results on the test set serving as the final output. Experimental results demonstrate that the DE-LSSVM-ITK ensemble model achieves higher prediction accuracy and robustness, making it suitable for constructing moisture content detection models for different tree species. This provides a reliable technical approach for forest ecological monitoring and fire prevention.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"140 ","pages":"Article 103841"},"PeriodicalIF":3.1,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144722617","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Identification of environmental microplastics using large language models: DeepSeek-R1-Distill-Llama-8B, GPT-4o, and GPT-4o-mini 使用大型语言模型识别环境微塑料：deepseek - r1 -蒸馏- llama - 8b， gpt - 40和gpt - 40 -mini

IF 3.1 3区化学

Vibrational Spectroscopy Pub Date : 2025-07-23 DOI: 10.1016/j.vibspec.2025.103842

Zijiang Yang , Hisayuki Arakawa

{"title":"Identification of environmental microplastics using large language models: DeepSeek-R1-Distill-Llama-8B, GPT-4o, and GPT-4o-mini","authors":"Zijiang Yang , Hisayuki Arakawa","doi":"10.1016/j.vibspec.2025.103842","DOIUrl":"10.1016/j.vibspec.2025.103842","url":null,"abstract":"<div><div>Microplastic pollution in the environment poses increasing risks to both ecological and human health. Identifying microplastics in environmental samples is important for monitoring and mitigation. However, current methods rely on manual interpretation of infrared (IR) spectra, which is time-consuming and labor-intensive. Thus, this study investigates the potential of large language models (LLMs) for identifying microplastics using IR spectra from environmental samples. Three models, DeepSeek-R1-Distill-Llama-8B, GPT-4o-2024–08–06 (GPT-4o), and GPT-4o-mini-2024–07–18 (GPT-4o-mini), were evaluated within a structured workflow that integrates spectral processing and model implementation. A performance evaluation framework was developed to measure identification accuracy. Results indicate that DeepSeek-R1-Distill-Llama-8B outperformed others, achieving an accuracy exceeding 0.93 across all tested polymer types, making it the preferred choice. GPT-4o proved a strong alternative, particularly when local execution is impractical, with accuracy above 0.86. GPT-4o-mini underperformed and is not recommended. Despite these promising outcomes, challenges persist, including the need to optimize spectral processing parameters and refine prompt design. As the first study to apply LLMs to microplastic identification, this work offers a foundational reference for leveraging LLM-driven spectral analysis in environmental monitoring.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"140 ","pages":"Article 103842"},"PeriodicalIF":3.1,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144739301","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Spectroscopic and genotoxic assessment of Imazamox herbicide-induced alterations in the Allium cepa model system Imazamox除草剂致葱模型系统改变的光谱和遗传毒性评估

IF 2.7 3区化学

Vibrational Spectroscopy Pub Date : 2025-07-23 DOI: 10.1016/j.vibspec.2025.103843

Gulgun Cakmak-Arslan , Pinar Goc Rasgele

{"title":"Spectroscopic and genotoxic assessment of Imazamox herbicide-induced alterations in the Allium cepa model system","authors":"Gulgun Cakmak-Arslan , Pinar Goc Rasgele","doi":"10.1016/j.vibspec.2025.103843","DOIUrl":"10.1016/j.vibspec.2025.103843","url":null,"abstract":"<div><div>Imazamox (IMA), an imidazolinone herbicide, is commonly used to control weeds in crops such as sunflower, beans, peas and chickpeas. In the current study, the effects of 24 h exposure to different IMA concentrations (125, 250, and 500 ppm) on <em>Allium cepa</em> root tips were investigated at molecular level using Attenuated Total Reflection-Fourier Transform Infrared (ATR-FTIR) spectroscopy and genotoxicity tests. The ATR-FTIR results indicated that all doses of IMA caused an increase in lipid peroxidation levels and a decrease in tissue metabolic activity, along with a decrease in protein, carbohydrate and nucleic acid content and an increase in saturated lipid content. In addition, IMA caused important structural modifications including shortened lipid chains, reduced membrane disorder and fluidity, increased carbonyl content and lipid to protein ratio. Principal component analysis (PCA) and Hierarchical cluster analysis (HCA) confirmed these spectral alterations by effectively distinguishing control and IMA-treated groups across different doses. Genotoxicity assays further demonstrated that IMA induced various mitotic abnormalities, such as c-mitosis, irregular metaphase and micronuclei formation in <em>A. cepa</em> root tips. The observed structural and genotoxic changes were clearly dose-dependent, with higher concentrations causing more severe effects. These findings highlight the potential risks associated with IMA exposure and suggest that more caution should be exercised in the use of this herbicide. Furthermore, the successful application of ATR-FTIR spectroscopy to detect herbicide-induced molecular changes suggests that this technique, combined with chemometrics and <em>A. cepa</em> as a bioindicator model system, offers a rapid and reliable biomonitoring tool to evaluate pesticide toxicity.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"140 ","pages":"Article 103843"},"PeriodicalIF":2.7,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144702402","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0