Journal of Applied Spectroscopy最新文献_第4页

Publisher Correction: Spectroscopy of a Mixture of Cs and N2 in a Nanocell 出版者更正：纳米电池中Cs和N2混合物的光谱

IF 1 4区化学

Journal of Applied Spectroscopy Pub Date : 2025-08-15 DOI: 10.1007/s10812-025-01961-7

A. Sargsyan

引用次数: 0

Determination of Fluorescent Dissolved Organic Matter Using Three-Dimensional Fluorescence Spectroscopy and Convolutional Neural Networks 三维荧光光谱和卷积神经网络测定荧光溶解有机物

IF 1 4区化学

Journal of Applied Spectroscopy Pub Date : 2025-07-09 DOI: 10.1007/s10812-025-01950-w

Jianlian Yang, Weiwei Feng, Zongqi Cai, Huanqing Wang, Xinghui Liang

{"title":"Determination of Fluorescent Dissolved Organic Matter Using Three-Dimensional Fluorescence Spectroscopy and Convolutional Neural Networks","authors":"Jianlian Yang, Weiwei Feng, Zongqi Cai, Huanqing Wang, Xinghui Liang","doi":"10.1007/s10812-025-01950-w","DOIUrl":"10.1007/s10812-025-01950-w","url":null,"abstract":"Fluorescent dissolved organic matter (FDOM) — particularly tryptophan (Trp), tyrosine (Tyr), and humic acid (HA) — serves as a crucial indicator in environmental monitoring. This study introduced a novel quantitative analysis approach for analyzing three-dimensional excitation–emission matrix spectra (3D-EEMs) of FDOM using convolutional neural networks (CNNs). The performance of the CNN model was evaluated and compared with the self-weighting alternating trilinear decomposition (SWATLD) algorithm. Results revealed that the proposed model significantly outperforms the SWATLD algorithm. Specifically, the CNN model achieved R2, RMSE, and MAPE values of 0.964, 0.047, and 14.950%, respectively, while for the SWATLD algorithm, these values were 0.944, 0.062, and 17.439%. Augmentation of the original spectral dataset did not yield a substantial improvement in the performance of the SWATLD algorithm, but it significantly enhanced the prediction ability of the CNN model. This enhancement was evident in the improved R2, RMSE, and MAPE values of 0.989, 0.030, and 12.837%, highlighting the critical role of data augmentation in boosting the performance of the CNN model, especially when dealing with a limited dataset. Application of the CNN model to water samples from Laizhou Bay yielded satisfactory results, enabling a simple and rapid analysis of FDOM in seawater. Therefore, an accurate and convenient analytical model was developed based on EEMs and CNNs, which can swiftly determine the concentration of FDOM in the environment and provide valuable references for environmental monitoring and early warning.","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"92 3","pages":"598 - 608"},"PeriodicalIF":1.0,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144990623","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Rapid Identification of Defects in Metal Additive Manufacturing Components by Libs Combined with BP-Neural Network and Random Forest Method 结合bp神经网络和随机森林方法的Libs快速识别金属增材制造部件缺陷

IF 1 4区化学

Journal of Applied Spectroscopy Pub Date : 2025-07-09 DOI: 10.1007/s10812-025-01956-4

Shanping Gao, Xiaomei Lin, Yixiang Huang, Zongxu Chen, Huijin Chen

{"title":"Rapid Identification of Defects in Metal Additive Manufacturing Components by Libs Combined with BP-Neural Network and Random Forest Method","authors":"Shanping Gao, Xiaomei Lin, Yixiang Huang, Zongxu Chen, Huijin Chen","doi":"10.1007/s10812-025-01956-4","DOIUrl":"10.1007/s10812-025-01956-4","url":null,"abstract":"Rapid detection of defects in metal additive manufacturing (AM) components remains a challenge. In this paper, laser-induced breakdown spectroscopy (LIBS) technology was used to establish a rapid identification of metal AM defects and defect-free control groups. The corresponding spectral acquisition of metal AM components with defects and without defects was carried out, and the research elements (Fe, Cr, Mn, and Ti) and corresponding spectral lines were obtained in combination with the NIST database. The spectral lines with features of importance greater than the average value are selected by random forest (RF). The selected spectral lines were used as the input variables of the k-nearest neighbor (KNN) model and the backpropagation neural network (BPNN) model. The classification performance and verification results of KNN, RF–KNN, and RF–BPNN models were compared. The results showed that the RF–BPNN model exhibited the best accuracy, sensitivity, and specificity in the training set, test set and validation set, with accuracies of 99.4, 97.2, and 96.67%, respectively. This indicates that LIBS combined with RF–BPNN can be used for the detection of defects in metal AM components.","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"92 3","pages":"658 - 668"},"PeriodicalIF":1.0,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144990468","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Eco-Friendly Synthesis of Cu–Zno Nanoparticles Via Asystasia Gangetica Extracts: A Novel Response Surface Methodology-Based Strategy for Dye Degradation 基于响应面法的染料降解新策略：以无公害化坏疽提取物为原料环保合成Cu-Zno纳米颗粒

IF 1 4区化学

Journal of Applied Spectroscopy Pub Date : 2025-07-08 DOI: 10.1007/s10812-025-01952-8

P. Cynthia, D. Abiya Chelliah

{"title":"Eco-Friendly Synthesis of Cu–Zno Nanoparticles Via Asystasia Gangetica Extracts: A Novel Response Surface Methodology-Based Strategy for Dye Degradation","authors":"P. Cynthia, D. Abiya Chelliah","doi":"10.1007/s10812-025-01952-8","DOIUrl":"10.1007/s10812-025-01952-8","url":null,"abstract":"This study presents the eco-friendly synthesis of copper-doped zinc oxide nanoparticles (Cu–ZnO NPs) using Asystasia gangetica leaf extracts as a reducing and stabilizing agent. To reveal their structural, morphological, and optical properties, the synthesized nanoparticles were characterized by X-ray diffraction, Fourier-transform infrared spectroscopy, scanning electron microscopy, ultraviolet-visible spectroscopy, and energy-dispersive X-ray spectroscopy. The dye degradation efficiency of Cu–ZnO NPs was evaluated for Rhodamine B dye under varying pH, nanoparticle concentration, dye concentration, and reaction time using response surface methodology. Statistical analysis using a central composite design showed that lower nanoparticle concentrations (50 ppm), higher dye concentrations (30 ppt), alkaline pH 9, and extended reaction times (120 min) resulted in optimal dye degradation. The ANOVA results, with a significant F-value and R2 values indicating a good fit, confirmed the model’s adequacy. This green synthesis approach offers a sustainable method for nanoparticle production and its practical application in environmental remediation, particularly in the degradation of synthetic dyes. These findings contribute to the advancement of nanotechnology for eco-friendly applications, with potential implications for wastewater treatment and environmental sustainability.","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"92 3","pages":"620 - 628"},"PeriodicalIF":1.0,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144990467","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Novel Reddish-Orange Emitting Phosphor K2Al2B2O7:Sm3+ 新型红橙色发光荧光粉K2Al2B2O7:Sm3+

IF 1 4区化学

Journal of Applied Spectroscopy Pub Date : 2025-07-08 DOI: 10.1007/s10812-025-01960-8

İlhan Pekgözlü

{"title":"Novel Reddish-Orange Emitting Phosphor K2Al2B2O7:Sm3+","authors":"İlhan Pekgözlü","doi":"10.1007/s10812-025-01960-8","DOIUrl":"10.1007/s10812-025-01960-8","url":null,"abstract":"K2–xSmxAl2B2O7 (0.0025 ≤ x ≤ 0.04) phosphors were synthesized by a solution combustion method. The X-ray powder diff raction (XRD) method was used to study the phase formation of K2Al2B2O7. The bond structure of the K2Al2B2O7 was obtained by using infrared spectrum measurements. In order to investigate the photoluminescence characteristics of the K2Al2B2O7:Sm3+ phosphors, measurements of the excitation and emission spectra were made. The standard 4f–4f electronic transitions of Sm3+ were seen in the excitation spectrum at ambient temperature. The emission spectrum of K2Al2B2O7:Sm3+ exhibited four emission peaks corresponding to 4G5/2 → 6H5/2 (564 nm), 4G5/2 → 6H7/2 (600 nm), 4G5/2 → 6H9/2 (646 nm), and 4G5/2 → 6H11/2 (706 nm) transitions of Sm3+. Lastly, the correlation between emission intensity and Sm3+ content was thoroughly investigated.","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"92 3","pages":"698 - 702"},"PeriodicalIF":1.0,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144990624","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Estimation of Sotagliflozin in Tablet Dosage Form Using UV-Spectrophotometric and RP-HPLC Techniques: A Comparative Study 紫外分光光度法和反相高效液相色谱法测定索他列净片剂剂型的比较研究

IF 1 4区化学

Journal of Applied Spectroscopy Pub Date : 2025-07-08 DOI: 10.1007/s10812-025-01953-7

Sridevi Ranjitha Karanam, Nammi Poojitha, Dadi Vasudha, Yarraguntla Srinivasa Rao, Kollabathula Vara Prasada Rao

{"title":"Estimation of Sotagliflozin in Tablet Dosage Form Using UV-Spectrophotometric and RP-HPLC Techniques: A Comparative Study","authors":"Sridevi Ranjitha Karanam, Nammi Poojitha, Dadi Vasudha, Yarraguntla Srinivasa Rao, Kollabathula Vara Prasada Rao","doi":"10.1007/s10812-025-01953-7","DOIUrl":"10.1007/s10812-025-01953-7","url":null,"abstract":"Sotagliflozin is an oral antidiabetic medication that targets SGLT1 and SGLT2. This medication was not included in any pharmacopeia. The aim of this study was to develop, validate, and compare different methods for measuring the concentration of sotagliflozin in tablet form. These methods include spectro photometric techniques such as zero-order UV spectrophotometry, first-order derivative spectroscopy, second-order derivative UV spectrophotometry, and high-performance liquid chromatography (HPLC). Method A was a simple zero-order UV spectrophotometric method established for the determination of sotagliflozin in methanol at 254 nm. Method B is a first-order derivative spectrophotometric method, and method C is a second-order derivative spectrophotometric method involving the measurement of amplitudes at 264 and 234 nm, respectively. Method D was performed using HPLC, which was carried out using a C18 column mobile phase consisting of acetonitrile:0.1% orthophosphoric acid (40:60 v/v/v) with a flow rate of 1 mL/min and detection at 249 nm, which provided a sharp peak with a short retention time of 3.748 min. The developed analytical methods were validated statistically. The analysis conducted using liquid chromatography and spectrophotometric methods revealed that both approaches were robust, precise, and accurate, with an RSD of less than 1%. The recovery values were (98–100%) within the typical range. The four analytical techniques were compared statistically, and no significant differences were found. For the quantitative analysis of sotagliflozin, it was discovered that these established procedures are reliable, quick, accurate, and easy to use, and they may also be applied for quality control testing.","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"92 3","pages":"629 - 636"},"PeriodicalIF":1.0,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144990465","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Online in situ Diagnosis and Traceability of Rubber Combustion: Utilizing LIBS, Mass Spectrometry, and Machine Learning 橡胶燃烧的在线原位诊断和可追溯性：利用LIBS，质谱分析和机器学习

IF 1 4区化学

Journal of Applied Spectroscopy Pub Date : 2025-07-08 DOI: 10.1007/s10812-025-01959-1

Dongpeng Tian, Gang Chen, Wentao Zhou, Lei Li, Yuzhu Liua

{"title":"Online in situ Diagnosis and Traceability of Rubber Combustion: Utilizing LIBS, Mass Spectrometry, and Machine Learning","authors":"Dongpeng Tian, Gang Chen, Wentao Zhou, Lei Li, Yuzhu Liua","doi":"10.1007/s10812-025-01959-1","DOIUrl":"10.1007/s10812-025-01959-1","url":null,"abstract":"An online in situ detection system based on laser-induced breakdown spectroscopy (LIBS) is developed for the diagnosis and tracing of the rubber combustion process. The feasibility and accuracy of the system are verified by taking styrene–butadiene rubber, fluoro rubber, silicone rubber, chloroprene rubber, and natural rubber as samples. Metallic elements such as Ca, Mg, and Na are detected in the LIBS spectra of rubber combustion. The results show that the smoke produced contains different elements for different kinds of rubbers. Based on the self-developed single particle aerosol mass spectrometry system, the smoke produced by rubber combustion is detected by mass spectrometry. The mass spectrum data are compared and supplemented for LIBS spectral data. Then, the system, combining LIBS with principal component analysis (PCA) and backpropagation artificial neural network BP-ANN, achieves efficient detection and identification of different rubber smoke, as well as tracking of the rubber combustion process. The identification accuracy reached 94.00%. The combination of LIBS and algorithm helps to improve the efficiency of processing a large amount of spectral information data. Furthermore, the element differences among various types of rubber slabs are analyzed, thereby validating the accuracy of the diagnosis and traceability system. The aforementioned results indicate that the online in situ diagnosis and traceability of the rubber in the combustion process with LIBS is feasible, and using spectral detection for different types of rubber recycling is also promising.","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"92 3","pages":"688 - 697"},"PeriodicalIF":1.0,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144990470","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Approach of Spectral Resolution and Analyzing Spectral Purity for Quantification of Paracetamol and Flupirtine Maleate in Tablet Formulation 片剂中对乙酰氨基酚和马来酸氟吡汀含量的光谱分辨方法及光谱纯度分析

IF 1 4区化学

Journal of Applied Spectroscopy Pub Date : 2025-07-08 DOI: 10.1007/s10812-025-01954-6

Aditi M. Bhandari, Adison Fernandes, M. K. Kathiravan, Santosh Gandhi, Rajesh Rane, Anand Mahajan

{"title":"Approach of Spectral Resolution and Analyzing Spectral Purity for Quantification of Paracetamol and Flupirtine Maleate in Tablet Formulation","authors":"Aditi M. Bhandari, Adison Fernandes, M. K. Kathiravan, Santosh Gandhi, Rajesh Rane, Anand Mahajan","doi":"10.1007/s10812-025-01954-6","DOIUrl":"10.1007/s10812-025-01954-6","url":null,"abstract":"The present research work was conducted to show the capabilities of the spectrophotometric approaches comparable to chromatographic techniques in terms of resolution, determination of spectral purity, and quantification of binary mixture present in tablet formulation. Overlapping spectra of the drugs paracetamol (PCM) and flupirtine maleate (FLU) present as a binary mixture were resolved using ratio subtraction plus the extended ratio subtraction (RS–ERS), method ratio subtraction method plus the unified constant subtraction (RS–UCS) method and ratio subtraction method plus the constant multiplication (RS–CM) method. After spectral resolution, each drug was quantified by measuring the absorbance at the respective wavelength maximum of the drug using a linear regression equation. The aforementioned three spectrophotometric approaches were initially applied to physical mixtures prepared in the laboratory; later it was extended to analyze marketed tablet formulation. The spectral purity of resolved spectra was studied by computing the spectral contrast angle (SCA) and the spectral ratio factor (SRF). Developed methods were validated as per the parameters mentioned under the International Council for Harmonization (ICH) guideline Q2 (R1). Developed methods were assigned greenness scores using the AGREE tool and successfully used for analyzing marketed tablet formulation.","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"92 3","pages":"637 - 648"},"PeriodicalIF":1.0,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144990466","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Sensitive Dependence of the Transfer of the Polarization of Fluorescence Radiation After the Photoionization of Atoms/Ions 原子/离子光离后荧光辐射极化转移的敏感性依赖

IF 1 4区化学

Journal of Applied Spectroscopy Pub Date : 2025-07-08 DOI: 10.1007/s10812-025-01947-5

Zhan-Bin Chen, Kun Ma

引用次数: 0

Visualization of Component Distribution and Determination of Particle Size in Wet Granulation Tablets Based on Raman Imaging 基于拉曼成像的湿造粒片成分分布可视化及粒径测定

IF 1 4区化学

Journal of Applied Spectroscopy Pub Date : 2025-07-08 DOI: 10.1007/s10812-025-01955-5

Runa Wang, Bangxu Chen, Yuchan Qu, Damei Su, Yayu Wu, Ning Xu

{"title":"Visualization of Component Distribution and Determination of Particle Size in Wet Granulation Tablets Based on Raman Imaging","authors":"Runa Wang, Bangxu Chen, Yuchan Qu, Damei Su, Yayu Wu, Ning Xu","doi":"10.1007/s10812-025-01955-5","DOIUrl":"10.1007/s10812-025-01955-5","url":null,"abstract":"Raman imaging was used to detect the distribution of each component of wet granulation tablets and analyze their active pharmaceutical ingredient (API) particle size. The four excipients in the tablets — lactose, microcrystalline cellulose, crosslinked sodium carboxymethyl cellulose, and magnesium stearate — were significantly identified by their characteristic peaks, respectively. The average equivalent diameters of API particles in tablets 1, 2, and 3 were 4.49, 6.53, and 13.95 μm, respectively. Tablet 1 exhibited a favorable particle morphology, with minimal differences between particles and an average particle size. The greatest particle size disparities were observed in tablet 3. Furthermore, the cumulative distribution statistics ratio in the API particle system reached 90%, showing that the particle sizes of tablets 1, 2, and 3 were 5.41, 14.45, and 24.00 μm, respectively. This trend was consistent with the API powder results for raw materials measured using a particle size analyzer. The minimum detection limit of the particles was 1.68 μm. In addition, the introduction of the coefficient of variation was used to evaluate the tablets’ uniformity. Whereas tablet 3 exhibited the highest degree of variability and the poorest uniformity, tablet 2 exhibited the lowest degree of variation and the best uniformity. Raman imaging facilitated the visualization of the distribution of each component in the tablet and the API particle size analysis in a «one-stop» manner.","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"92 3","pages":"649 - 657"},"PeriodicalIF":1.0,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144990578","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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