Vibrational Spectroscopy最新文献_第2页

Early diagnosis of ulcerative colitis based on urine SERS and multivariate analysis 基于尿SERS和多因素分析的溃疡性结肠炎早期诊断

IF 2.7 3区化学

Vibrational Spectroscopy Pub Date : 2025-05-20 DOI: 10.1016/j.vibspec.2025.103811

Jiawei Ma , Shizheng Zhang , Rui Cheng , Chang Zhao , Xiaoli Zhu , Peng Du , Xiaolei Wang , Huinan Yang

{"title":"Early diagnosis of ulcerative colitis based on urine SERS and multivariate analysis","authors":"Jiawei Ma , Shizheng Zhang , Rui Cheng , Chang Zhao , Xiaoli Zhu , Peng Du , Xiaolei Wang , Huinan Yang","doi":"10.1016/j.vibspec.2025.103811","DOIUrl":"10.1016/j.vibspec.2025.103811","url":null,"abstract":"<div><div>Ulcerative colitis (UC) is a type of inflammatory bowel disease (IBD), which can be diagnosed by a combination of invasive endoscopy, clinical examination and histopathology. However, Crohn's disease (CD), as another subtype of IBD, exhibits similar clinical and pathological manifestations to UC. This usually leads to delayed diagnosis of UC and increases the possibility of conversion to colorectal cancer. Moreover, it is difficult to distinguish patients with UC from healthy controls (HC) in early diagnosis. Therefore, it is very important to accurately distinguish IBD subtypes and early identification of UC patients and HC in clinical practice. In this work, surface-enhanced Raman spectroscopy (SERS) was used to measure urine samples from 166 IBD patients (including 83 UC and 83 CD) and 83 HC, totaling 249 samples. It shows that there are significant differences in the intensities at several main Raman peaks between UC and CD, as well as between UC and HC. Then, classification models based on principal component analysis (PCA) were constructed for UC/CD and UC/HC to reduce the dimensionality of the dataset, followed by analysis of the reduced-dimension samples using the constructed support vector machine (SVM) models. After the leave-one-out cross-validation (LOOCV), the UC/CD classification model achieved an accuracy of 72.89 %, sensitivity of 67.47 %, and specificity of 78.31 %, while the UC/HC classification model achieved 82.53 %, 90.36 %, and 74.70 % respectively for these metrics. Therefore, this indicates that SERS, based on urine samples combined with PCA and SVM analysis techniques, can effectively identify IBD subtypes and accurately diagnose UC patients from HC patients, greatly facilitating the clinical diagnosis process. The application of this method has great potential to achieve non-invasive early diagnosis of UC, thereby providing more timely and effective treatment strategies for patients.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"139 ","pages":"Article 103811"},"PeriodicalIF":2.7,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144124309","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

Accuracy of DFT quadrature grids for the computation of quantum anharmonic vibrational spectroscopy 量子非谐波振动谱计算中DFT正交网格的精度

IF 2.7 3区化学

Vibrational Spectroscopy Pub Date : 2025-05-05 DOI: 10.1016/j.vibspec.2025.103810

Dhiksha Sharma , Jyoti Devi , Avantika Sharma , Mokshi Sharma , Meenakshi Raina , Akriti Jamwal , Tapta Kanchan Roy

{"title":"Accuracy of DFT quadrature grids for the computation of quantum anharmonic vibrational spectroscopy","authors":"Dhiksha Sharma , Jyoti Devi , Avantika Sharma , Mokshi Sharma , Meenakshi Raina , Akriti Jamwal , Tapta Kanchan Roy","doi":"10.1016/j.vibspec.2025.103810","DOIUrl":"10.1016/j.vibspec.2025.103810","url":null,"abstract":"<div><div>This study evaluates the accuracy and convergence of 12 DFT quadrature grid combinations for computing potential energy surfaces (PESs) to address quantum anharmonic vibrational spectra. The grids, ranging from 23 to 300 radial and 170 to 1202 angular points, are tested with widely used six DFT functionals (B3LYP-D, PBE0-D, B3PW91-D, B98-D, ωB97X-D, M06–2X) using def2-type triple-ξ basis sets. The computed anharmonic transitions for fundamentals and overtones along with the intensities are benchmarked using vibrational self-consistent field (VSCF) and its second-order perturbative corrected (VSCF-PT2) algorithms across different molecules, against the reference/largest grid (300,1202). While the smallest grid (23,170) had significant deviations, the largest grid is accurate but computationally expensive. Moderate grids like 75,302 achieved excellent accuracy with lower CPU demands, making them ideal for large molecules, while 75,590 is preferred for flexible systems. Furthermore, the angular grid has a greater impact on the accuracy of computed spectra than the radial grid.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"139 ","pages":"Article 103810"},"PeriodicalIF":2.7,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144068182","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

Simultaneous qualitative and quantitative analyses of pesticide residues on fruit peels with ATR-FTIR spectroscopy and multi-task learning 基于ATR-FTIR光谱和多任务学习的果皮农药残留同时定性和定量分析

IF 2.7 3区化学

Vibrational Spectroscopy Pub Date : 2025-05-01 DOI: 10.1016/j.vibspec.2025.103807

Chun Li , Yanan Lu , Shengzhu Fu, Yulong Guo, Zhengwei Huang, Lei Wen, Ling Jiang

{"title":"Simultaneous qualitative and quantitative analyses of pesticide residues on fruit peels with ATR-FTIR spectroscopy and multi-task learning","authors":"Chun Li , Yanan Lu , Shengzhu Fu, Yulong Guo, Zhengwei Huang, Lei Wen, Ling Jiang","doi":"10.1016/j.vibspec.2025.103807","DOIUrl":"10.1016/j.vibspec.2025.103807","url":null,"abstract":"<div><div>With the increased awareness of food safety, rapid, accurate, and non-destructive detection of pesticide residues on fruit peels has attracted widespread attention. In this work, we utilize the attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) to directly detect multiple pesticide residues (including carbendazim, thiophanate-methyl, and thiabendazole) on the surface of the apple peels. To further improve the efficiency of detection and meet the practical application needs, a multi-task learning (MTL) model based on multi-task neural networks is introduced to perform qualitative and quantitative analysis of three pesticides, simultaneously. The optimal results in the testing set demonstrate an average accuracy of 100 % for the qualitative task, while the average R<sup>2</sup> of 0.9415 and root mean square error (RMSE) of 2.567 μg/cm<sup>2</sup> can be achieved in the quantitative task. The limit of detection (LOD) of carbendazim, thiophanate-methyl, and thiabendazole were determined as 7.308 μg/cm<sup>2</sup>, 1.595 μg/cm<sup>2</sup> and 0.159 μg/cm<sup>2</sup>, respectively. Compared with the traditional single-task model, our work greatly simplifies the complexity of pesticide detection while ensuring prediction accuracy, which offers an alternative approach for further deployment and operation of the on-site system.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"138 ","pages":"Article 103807"},"PeriodicalIF":2.7,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143916361","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 the isoprenols conformers by the Raman spectra of the deuterated compounds in the C-D stretching region 用C-D拉伸区氘化化合物的拉曼光谱鉴定异戊二醇构象

IF 2.7 3区化学

Vibrational Spectroscopy Pub Date : 2025-05-01 DOI: 10.1016/j.vibspec.2025.103808

Ying Wang , Shouqi Zhang , Xiaowen Kong , Zhengren Xu , Zhiqiang Wang , Ruiting Zhang , Lin Ma , Ke Lin

引用次数: 0

SERS and lateral flow assay-based test strips for rapid and efficient detection of GC-associated miR-19a-3p and miR-4491 基于SERS和侧流分析的试纸用于快速有效地检测gc相关的miR-19a-3p和miR-4491

IF 2.7 3区化学

Vibrational Spectroscopy Pub Date : 2025-05-01 DOI: 10.1016/j.vibspec.2025.103809

Xubo Wang , Hongjun Yin , Jingwen Zhu , Yong Huang , Zhenguang Wang , Xinmei Zheng , Xiaowei Cao , Wei Wei

{"title":"SERS and lateral flow assay-based test strips for rapid and efficient detection of GC-associated miR-19a-3p and miR-4491","authors":"Xubo Wang , Hongjun Yin , Jingwen Zhu , Yong Huang , Zhenguang Wang , Xinmei Zheng , Xiaowei Cao , Wei Wei","doi":"10.1016/j.vibspec.2025.103809","DOIUrl":"10.1016/j.vibspec.2025.103809","url":null,"abstract":"<div><div>MicroRNA (miRNA) is a potential biomarker for tumor diagnosis. Therefore, it is important to investigate a method for accurate analysis of miRNA. In this study, we developed a novel and cost-effective surface-enhanced Raman scattering (SERS)-lateral flow assay(LFA) dual detection line test strip for quantitatively detecting miR-19a-3p and miR-4491, respectively. These two miRNAs are closely associated with the development of gastric cancer (GC) and their significant overexpression in patients gives them great potential as innovative tumor markers for GC detection. During the detection process, miR-19a-3p and miR-4491 would compete for binding to the corresponding SERS tags. The presence of concentrations of miR-19a-3p and miR-4491 in the sample solution reduces the binding of the SERS tags to the ssDNAs, thereby reducing the SERS intensity. The test strips were designed to be highly specific and reproducible, and the entire assay was completed in 15 minutes. The test strips we designed were simpler, more sensitive, and more efficient than other detection methods. The detection limit in serum were 21.14 fM for miR-19a-3p and 10.34 fM for miR-4491. In addition, the results of SERS-based LFA test strip and quantitative real-time polymerase chain reaction (qRT-PCR) were consistent for serum testing of healthy individuals, patients with mild intraepithelial neoplasia (IE), patients with severe IE, and patients with gastric cancer. Therefore, SERS-based LFA test strip has great potential for the clinical diagnosis of gastric cancer.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"138 ","pages":"Article 103809"},"PeriodicalIF":2.7,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143899326","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

An automatic baseline correction method based on reweighted penalised least squares method for non-sensitive areas 一种基于加权惩罚最小二乘法的非敏感区域基线自动校正方法

IF 2.7 3区化学

Vibrational Spectroscopy Pub Date : 2025-04-15 DOI: 10.1016/j.vibspec.2025.103806

Feng Zhang, Yang Yang, Dingyue Lian, Lin Li, Suping Zhao, Chaobo Chen

{"title":"An automatic baseline correction method based on reweighted penalised least squares method for non-sensitive areas","authors":"Feng Zhang, Yang Yang, Dingyue Lian, Lin Li, Suping Zhao, Chaobo Chen","doi":"10.1016/j.vibspec.2025.103806","DOIUrl":"10.1016/j.vibspec.2025.103806","url":null,"abstract":"<div><div>Baseline drift is a key problem in spectral analysis. The resolution of the baseline drift problem sets the stage for future spectral analyses. The baseline correction algorithm previously proposed by scholars may result in inaccurate correction in the presence of spectral overlap peak areas and noise interference, and they all have one or more parameters that need to be optimized by the user. Therefore, an Automatic baseline correction algorithm based on reweighted penalised least squares method for non-sensitive areas(NasPLS) was proposed. First, according to the High solution Transmission Molecular Absorption Database (HITRAN) and actual measurements of hydrocarbon gases, several non-sensitive areas appeared between 400 and 4000 wavenumbers. Then, based on the root mean square error(RMSE) values of the original baseline and the fitted baseline in the non-sensitive areas, the minimum RMSE is found to adapt to updating the smoothing parameters and select the optimal <span><math><mi>λ</mi></math></span>. Finally, the proposed NasPLS method was validated using simulated data and actual measured spectra of methane and ethane, the NasPLS achieves precise baseline correction in the presence of noise interference in simulated data. The results of experimental measurements show that the proposed method can accurately perform baseline corrections in complex situations.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"138 ","pages":"Article 103806"},"PeriodicalIF":2.7,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143847646","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

Effect of aging on Raman spectroscopy analyses for flexible polyvinyl chloride 老化对柔性聚氯乙烯拉曼光谱分析的影响

IF 2.7 3区化学

Vibrational Spectroscopy Pub Date : 2025-04-13 DOI: 10.1016/j.vibspec.2025.103805

Ali I. Al-Mosawi, Shaymaa Abbas Abdulsada

{"title":"Effect of aging on Raman spectroscopy analyses for flexible polyvinyl chloride","authors":"Ali I. Al-Mosawi, Shaymaa Abbas Abdulsada","doi":"10.1016/j.vibspec.2025.103805","DOIUrl":"10.1016/j.vibspec.2025.103805","url":null,"abstract":"<div><div>For polymers, including flexible polyvinyl chloride, aging processes play a crucial role in determining their long-term performance and function in various applications, especially those exposed to harsh environmental conditions. Aging effects are analyzed using several tools, including Raman spectroscopy, which is an effective tool for detecting molecular and structural changes in the polymer structure, providing a detailed analytical picture of the degradation behavior as a result of aging. The present study investigates the effect of aging on the structural properties of flexible PVC, taking into account the effect of sample thickness on the results of Raman spectroscopy. The results of 2 and 4 mm thick flexible PVC samples produced by extrusion, immediately after production and after one year of production, after being stored at room temperature without being exposed to harsh external conditions were analyzed to study natural aging. The characteristic Raman peaks associated with plasticizer leaching, chain splitting, and oxidation, as well as the SEM images, were analyzed and the obtained results correlated with the sample thickness. Thicker samples showed a lower rate of detectable chemical changes in the polymer structure, attributed to slower oxygen diffusion and lower chlorine release rate compared to thinner samples exposed to the same environmental conditions. Therefore, it is essential to consider the sample thickness factor in Raman spectroscopy analyses, as it greatly affects the sensitivity and interpretation of the results.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"138 ","pages":"Article 103805"},"PeriodicalIF":2.7,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143843339","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

A variable selection method based on multicollinearity reduction for food origin traceability identification 基于多重共线性约简的食品原产地溯源识别变量选择方法

IF 2.7 3区化学

Vibrational Spectroscopy Pub Date : 2025-04-09 DOI: 10.1016/j.vibspec.2025.103804

Lu Tian , Yankun Li , Mengsha Zhang

{"title":"A variable selection method based on multicollinearity reduction for food origin traceability identification","authors":"Lu Tian , Yankun Li , Mengsha Zhang","doi":"10.1016/j.vibspec.2025.103804","DOIUrl":"10.1016/j.vibspec.2025.103804","url":null,"abstract":"<div><div>In spectral modelling analysis, multicollinearity problems among the spectral variables are prevalent, which may reduce the accuracy of the analysis result. To reduce the effect of multicollinearity between variables in classification analysis, a new strategy of variable selection named as multicollinearity reduction-based variable selection (MR-based VS) is proposed. Characteristic variables were selected based on inter-class significant difference and intra-class correlation evaluation, which reduced data multicollinearity and ensured the selected variables were more relevant to the categories. It was combined with supervised pattern recognition methods of least squares discrimination analysis (PLS-DA) and uncorrelated linear discriminant analysis (ULDA) for the identification of the red wine and olive oil from different geographical origins. The results show that compared with the full-spectrum model and the traditional successive projection algorithm (SPA) variable screening model, the MR-based VS strategy reduces the multicollinearity between variables while ensuring the maximum difference among the different classes, as a result, it obtained the superior classification results. Therefore, MR-based VS can effectively extract categorical features, eliminate redundant information, and improve model interpretability, which shows potential for enhancing the ability of the spectral qualitative analysis model in different fields.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"138 ","pages":"Article 103804"},"PeriodicalIF":2.7,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830295","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

Ensure the authenticity of antibiotic vials: An independent testing protocol using attenuated total reflection infrared spectroscopy and Raman spectroscopy 确保抗生素小瓶的真实性：使用衰减全反射红外光谱和拉曼光谱的独立检测方案

IF 2.7 3区化学

Vibrational Spectroscopy Pub Date : 2025-04-07 DOI: 10.1016/j.vibspec.2025.103803

Ahmed M. Ibrahim, Lamiaa A. Hassan

{"title":"Ensure the authenticity of antibiotic vials: An independent testing protocol using attenuated total reflection infrared spectroscopy and Raman spectroscopy","authors":"Ahmed M. Ibrahim, Lamiaa A. Hassan","doi":"10.1016/j.vibspec.2025.103803","DOIUrl":"10.1016/j.vibspec.2025.103803","url":null,"abstract":"<div><div>The burgeoning global pharmaceutical market has witnessed a concurrent surge in counterfeit drug proliferation, particularly in developing countries. Counterfeit antibiotics pose a significant threat to public health, potentially leading to treatment failures, antibiotic resistance, and even fatalities. This study presents an innovative independent testing protocol employing Raman spectroscopy and attenuated total reflection infrared spectroscopy (ATR-IR) for the rapid and accurate detection of counterfeit antibiotic vials. These rapid, eco-friendly, and non-destructive techniques enable the acquisition of critical information about the analyzed samples. However, while ATR-IR preserves the chemical composition and structural integrity of the sample, physical contact with the ATR crystal may prevent complete sample recovery. The combination of ATR-IR and Raman spectroscopy leverages their distinct analytical principles ATR-IR detecting polar asymmetric vibrations (dipole moment variations) and Raman identifying symmetric vibrations (polarizability changes) to provide a robust and reliable solution for detecting counterfeit antibiotics. Both Raman spectroscopy and ATR-IR demonstrated exceptional precision and specificity of 100 %, underscoring the model remarkable reliability in counterfeit classification (all counterfeit samples were successfully rejected). Fluorescence backgrounds in Raman spectroscopy were mitigated by employing a 1064 nm laser wavelength, enhancing its applicability for complex matrices. Our Independent Testing Protocol presents a promising solution to the complex issue of counterfeit antibiotic vial detection. By synergizing the strengths of Raman spectroscopy and ATR-IR, we achieve a comprehensive and reliable assessment of antibiotic vials, thereby contributing to patient safety and public health protection.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"138 ","pages":"Article 103803"},"PeriodicalIF":2.7,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143799311","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

Raman signature of partial zircon to scheelite-type phase conversion in GdVO4 nanosystem due to structural disordering induced by Eu3+ inclusions Eu3+包裹体结构紊乱导致GdVO4纳米体系中部分锆石向白钨矿型相变的拉曼特征

IF 2.7 3区化学

Vibrational Spectroscopy Pub Date : 2025-04-04 DOI: 10.1016/j.vibspec.2025.103802

Aftab Ansari , D. Mohanta

{"title":"Raman signature of partial zircon to scheelite-type phase conversion in GdVO4 nanosystem due to structural disordering induced by Eu3+ inclusions","authors":"Aftab Ansari , D. Mohanta","doi":"10.1016/j.vibspec.2025.103802","DOIUrl":"10.1016/j.vibspec.2025.103802","url":null,"abstract":"<div><div>This work reports Raman analysis of <em>zircon</em>-to-<em>scheelite</em> partial phase conversion encountered in GdVO<sub>4</sub> nanosystem with Eu<sup>3+</sup> around permissible substitutional doping. To be specific, among the Raman modes featured, the <em>A</em><sub>1g</sub> mode is attributed to O-V-O vibration while <em>B</em><sub>2 g</sub> represents the translatory vibrational mode (∼258 cm<sup>−1</sup>) attributed to the Eu–O stretching. The intense high-frequency mode, <em>ν</em><sub>2</sub> = 880 cm<sup>–1</sup> would describe stretching internal vibration in the tetrahedral [VO<sub>4</sub>]<sup>3-</sup> anionic group for an ideal <em>zircon-</em>type conformation with tetragonal symmetry. Importantly, at room temperature Raman studies of GdVO<sub>4</sub> nanosystem, the overlap of two Raman active modes namely, <em>A</em><sub>1g</sub> (scissoring) and <em>B</em><sub>2g</sub> (twisting) characterize <em>scheelite</em>-type characteristics in the nanosystem under study. Incorporation of Eu<sup>3+</sup> in the system resulted in enhancing the intensity of the <em>scheelite</em>-type characteristics due to possible localized phase transition around Eu<sup>3+</sup> sites in the matrix. The observed <em>scheelite</em>-type signal enhancement and consequently partial <em>zircon</em> lattice to <em>scheelite</em> lattice conversion due to inclusion of Eu<sup>3+</sup> doping (1–7 %) has been highlighted and analyzed emphasizing manifested modes in detail.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"138 ","pages":"Article 103802"},"PeriodicalIF":2.7,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792781","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