Applied Spectroscopy最新文献

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Feature Selection and Spectral Indices for Identifying Maize Stress Types. 用于识别玉米胁迫类型的特征选择和光谱指数
IF 2.2 3区 化学
Applied Spectroscopy Pub Date : 2024-09-23 DOI: 10.1177/00037028241279328
Yanru Li, Keming Yang, Bing Wu
{"title":"Feature Selection and Spectral Indices for Identifying Maize Stress Types.","authors":"Yanru Li, Keming Yang, Bing Wu","doi":"10.1177/00037028241279328","DOIUrl":"https://doi.org/10.1177/00037028241279328","url":null,"abstract":"<p><p>This study aims to identify different types of stress on maize leaves using feature selection and spectral index methods. Spectral data were collected from leaves under heavy metal, water, fertilizer stress, as well as under normal healthy conditions. Preprocessing steps such as continuum removal (CR), standard normal variable (SNV) transformation, multiple scattering correction (MSC), detrend correction (DT), and first-order derivative (FOD) were applied to the raw spectra. Various feature selection methods including ReliefF, chi-square test, recursive feature elimination (FRE), mutual information (MI), random forest (RF), and gradient boosting tree (GBT) were employed to determine the importance scores of different spectral bands, thus identifying sensitive spectral features capable of distinguishing various stress types. Spectral indices for stress type differentiation were constructed using label correlation method. Classification models were built using support vector machine (SVM), K-nearest neighbors (KNN), Gaussian naive Bayes (GNB), extreme gradient boosting (XGBoost), RF, and adaptive boosting (AdaBoost) algorithms. Results indicate that the characteristic spectral bands for differentiating stress types are primarily distributed around the red edge (near 700-800 nm) and water absorption valley (near 1900 nm). Spectral indices constructed using combinations of spectral bands around the near-infrared plateau absorption valley (near 1185 nm) and water absorption valley (near 1460 nm) effectively differentiate maize stress types. Among the modeling classification algorithms, RF and AdaBoost algorithms exhibited optimal performance, demonstrating high classification accuracy on both training and validation sets. These findings hold promise for providing new technical support for maize stress monitoring and diagnosis in agricultural production.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241279328"},"PeriodicalIF":2.2,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142279786","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
Two-Dimensional Correlation Spectroscopy (2D-COS) Tracking of the Formation of Selected Transition Metal Compounds Cu(II) and Cd(II) With Cinchonine and Their Impact on Model Components of Erythrocytes 二维相关光谱学 (2D-COS) 跟踪选定过渡金属化合物 Cu(II) 和 Cd(II) 与辛可宁的形成及其对红细胞模型成分的影响
IF 3.5 3区 化学
Applied Spectroscopy Pub Date : 2024-09-18 DOI: 10.1177/00037028241279434
Zofia Chajdaś, Martyna Kucharska, Aleksandra Wesełucha-Birczyńska
{"title":"Two-Dimensional Correlation Spectroscopy (2D-COS) Tracking of the Formation of Selected Transition Metal Compounds Cu(II) and Cd(II) With Cinchonine and Their Impact on Model Components of Erythrocytes","authors":"Zofia Chajdaś, Martyna Kucharska, Aleksandra Wesełucha-Birczyńska","doi":"10.1177/00037028241279434","DOIUrl":"https://doi.org/10.1177/00037028241279434","url":null,"abstract":"Cinchonine is a quinoline alkaloid known for its antimalarial properties. Due to the advantages of using compounds of metal ions with alkaloids, a copper(II) compound with cinchonine was synthesized, and, for comparative purposes, a cadmium(II) compound with cinchonine. During the synthesis, the emerging interactions between the metal ion and cinchonine were studied. After crystallization, it was examined how the obtained compounds would interact with the model blood component, hematoporphyrin IX. Ultraviolet–visible (UV–Vis) spectroscopy, Raman spectroscopy, and attenuated total reflection Fourier transform infrared spectroscopy (ATR FT-IR) were used in the study. In the case of monitoring the synthesis, the best method turned out to be UV–Vis spectroscopy, combined with the possibility of two-dimensional correlation spectroscopy (2D-COS), which enabled the identification of peaks characteristic of the interactions of the cinchonine quinoline ring with metal ions. In turn, the obtained Raman spectra showed shifts of individual bands and changes in their intensity, and 2D-COS showed the sequence of formation of individual interactions, which confirmed the formation of cinchonine compounds with metals. ATR FT-IR also allowed us to compare the spectra of the substrates used in the synthesis with the crystallized compounds and thus confirm the formation of the expected compounds. Bands characteristic of π–π-stacking interactions between the quinoline ring and the tetrapyrrole ring of hematoporphyrin IX were also observed. Observed interaction with a model blood component may be important when designing drugs for antimalarial therapy.","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":"95 1","pages":"37028241279434"},"PeriodicalIF":3.5,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142263028","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
Glioma Identification Based on Digital Multimodal Spectra Integrated With Deep Learning Feature Fusion Using a Miniature Raman Spectrometer 利用微型拉曼光谱仪,基于数字多模态光谱与深度学习特征融合进行胶质瘤识别
IF 3.5 3区 化学
Applied Spectroscopy Pub Date : 2024-09-10 DOI: 10.1177/00037028241276013
Qingbo Li, Shufan Chen
{"title":"Glioma Identification Based on Digital Multimodal Spectra Integrated With Deep Learning Feature Fusion Using a Miniature Raman Spectrometer","authors":"Qingbo Li, Shufan Chen","doi":"10.1177/00037028241276013","DOIUrl":"https://doi.org/10.1177/00037028241276013","url":null,"abstract":"The miniature fiber Raman spectroscopy detection technology can reflect the properties of biomolecules through spectral characteristics and has the advantages of noninvasiveness, real-time, safety, label-free operation, and potential for early cancer diagnosis. This technology holds promise for developing portable, low-cost, intraoperative tumor detection instruments. Glioma is one of the most common malignant tumors of the central nervous system with rapid growth and a short disease course. However, the considerable heterogeneity of the glioma sample leads to substantial intraclass variance in collected spectra, coupled with the miniature Raman spectrometer's low signal-to-noise ratio. These factors diminish the accuracy of the brain glioma recognition model. To address this issue, a glioma identification method based on digital multimodal spectra integrated with deep learning features fusion (DMS-DLFF) using the miniature Raman spectrometer is proposed. Different from existing multimodal tumor detection methods employing multiple spectral instruments, DMS-DLFF enhances tumor identification accuracy without increasing hardware costs. The method mathematically decomposes the original spectra to Raman and fluorescence spectra, so as to augment the biospectral information. Then, the deep learning method is used to extract the feature information of the two kinds of spectra, respectively, and the digital multimodal spectral fusion is realized at the feature level. Moreover, a two-layer pattern recognition model is constructed based on the ensemble strategy, amalgamating the strengths of diverse classifiers. Meanwhile, the bagging strategy is introduced to improve support vector machine algorithms, one of the basic classifiers. Compared with traditional methodologies, DMS-DLFF operates at both the feature level and decision level, employing high-information-density feature vectors to train ensemble classification models for increasing overall recognition accuracy. This study collected 260 Raman spectra of glioma and 151 Raman spectra of normal brain tissue. The accuracy, sensitivity, and specificity were 91.9%, 96.7%, and 80.8%, respectively. The proposed method outperforms traditional algorithms in brain glioma detection, which helps doctors formulate precise surgical plans and thereby improve patient prognosis.","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":"1 1","pages":"37028241276013"},"PeriodicalIF":3.5,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142214319","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
Characterization of Orthophosphate and Orthovanadate in Aqueous Solution Using Polarized Raman Spectroscopy. 利用偏振拉曼光谱表征水溶液中的正磷酸盐和正钒酸盐
IF 2.2 3区 化学
Applied Spectroscopy Pub Date : 2024-09-05 DOI: 10.1177/00037028241275107
Wolfram Rudolph
{"title":"Characterization of Orthophosphate and Orthovanadate in Aqueous Solution Using Polarized Raman Spectroscopy.","authors":"Wolfram Rudolph","doi":"10.1177/00037028241275107","DOIUrl":"https://doi.org/10.1177/00037028241275107","url":null,"abstract":"<p><p>Polarized Raman spectroscopy was used to analyze aqueous solutions of sodium orthophosphate and orthovanadate over a wide concentration range (0.00891-0.702 mol/L) at 23 °C. The isotropic scattering profiles were obtained by measuring polarized Raman scattering spectra. Furthermore, R-normalized spectra were calculated and presented. The tetrahedral ions, VO<sub>4</sub><sup>3-</sup>(aq) and PO<sub>4</sub><sup>3-</sup>(aq), demand four Raman active bands which have been subsequently characterized and assigned. For the PO<sub>4</sub><sup>3-</sup>(aq) ion, the deformation modes ν<sub>2</sub>(e) and ν<sub>4</sub>(f<sub>2</sub>) appear at 415 and 557 cm<sup>-1</sup>, and these modes are depolarized. In the P-O stretching region, the strongest Raman band appears at 936.5 cm<sup>-1</sup>, which is totally polarized with a depolarization ratio (ρ-value) of 0.002. The broad and depolarized mode at 1010 cm<sup>-1</sup> constitutes the antisymmetric stretching band ν<sub>3</sub>(f<sub>2</sub>). The Raman spectrum of VO<sub>4</sub><sup>3-</sup> shows two depolarized deformation modes ν<sub>2</sub>(e) and ν<sub>4</sub>(f<sub>2</sub>) at 327 and 345.6 cm<sup>-1</sup>, which are severely overlapped. These bands are very weak. The strongest band in the Raman spectrum of VO<sub>4</sub><sup>3-</sup>(aq) is the symmetric stretching mode ν<sub>1</sub>(a<sub>1</sub>) at 820.2 cm<sup>-1</sup> which is totally polarized with a ρ-value at 0.004. The depolarized antisymmetric stretching mode ν<sub>3</sub>(f<sub>2</sub>) appeared at 785 cm<sup>-1</sup> as a broad and weak band. Both anions are strongly hydrated and showed extensive hydrolysis in an aqueous solution. Orthovanadate is a much stronger base than orthophosphate in aqueous solution. Therefore, a large amount of NaOH was used to suppress the hydrolysis of VO<sub>4</sub><sup>3-</sup>(aq) sufficiently, so, it was possible to characterize the VO<sub>4</sub><sup>3-</sup> modes. Quantitative Raman spectroscopy was applied to follow the hydrolysis of PO<sub>4</sub><sup>3-</sup> over a wide concentration range from 0.00891 to 0.592 mol/L. The hydrolysis data allowed the calculation of the p<i>K</i><sub>a3</sub> value for H<sub>3</sub>PO<sub>4</sub> to be 12.330 ± 0.02 (25 °C). The hydrolysis of the VO<sub>4</sub><sup>3-</sup> ion is ∼21 times larger than that of the PO<sub>4</sub><sup>3-</sup>. The p<i>K</i><sub>a3</sub> value for H<sub>3</sub>VO<sub>4</sub> is estimated to be 13.65 ± 0.1 (25 °C).</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241275107"},"PeriodicalIF":2.2,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142139139","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 Measurement of Two-Trace Two-Dimensional (2T2D) Near-Infrared (NIR) Asynchronous Correlation Spectra and Small-Angle X-ray Scattering (SAXS) to Characterize Thermally Aged Polypropylene (PP). EXPRESS:同时测量双踪迹二维 (2T2D) 近红外 (NIR) 异步相关光谱和小角 X 射线散射 (SAXS) 以表征热老化聚丙烯 (PP)。
IF 2.2 3区 化学
Applied Spectroscopy Pub Date : 2024-09-05 DOI: 10.1177/00037028241272257
Hideyuki Shinzawa, Azusa Togo, Hideaki Hagihara
{"title":"Simultaneous Measurement of Two-Trace Two-Dimensional (2T2D) Near-Infrared (NIR) Asynchronous Correlation Spectra and Small-Angle X-ray Scattering (SAXS) to Characterize Thermally Aged Polypropylene (PP).","authors":"Hideyuki Shinzawa, Azusa Togo, Hideaki Hagihara","doi":"10.1177/00037028241272257","DOIUrl":"10.1177/00037028241272257","url":null,"abstract":"<p><p>In this study, a new system was developed to carry out simultaneous near-infrared (NIR) and small-angle X-ray scattering (SAXS) measurements. Aged polypropylene (PP) was examined with the NIR-SAXS system to demonstrate how it can be utilized to derive pertinent information about the polymer structure. Pairs of SAXS profiles and NIR spectra of PP in its initial state and after aging were measured to derive an in-depth understanding of the aging phenomenon. The SAXS profiles of the PP samples showed a clear shift of the SAXS peak to the lower q direction induced by the thermal aging, indicating an increase in the length of the long-period structure. Two-trace two-dimensional (2T2D) asynchronous correlation spectra derived from NIR spectra clearly revealed that the aging treatment leads to a substantial increase in the spectral intensity of the regularity bands representing the longer helix present in a folded lamellar structure. In other words, it suggests that the long helix structure is more abundantly present than the short helix structure in the aged PP than in the initial PP. By combining the information derived from the SAXS profiles and NIR spectra, the details of the aging-induced variation were clearly determined. Namely, aging causes additional crystallization of the PP by developing more helical structures, which involves an increase in the lamellar thickness as well as a decrease in the amorphous region. The growth of the rigid crystalline phase restricts the elastic deformation in the amorphous structure, which eventually induces the deterioration of PP by making the polymer hard but brittle. Such observation, in turn, implies that retarding or accelerating the crystallized structure of PP substantially works to control the progress of aging.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241272257"},"PeriodicalIF":2.2,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141878260","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
Calibration of Raman Bandwidths on the Scanning Habitable Environments with Raman and Luminescence for Organics and Chemicals (SHERLOC) Deep Ultraviolet Raman and Fluorescence Instrument Aboard the Perseverance Rover. 不屈不挠号火月车上深紫外拉曼和荧光仪器(SHERLOC)扫描适居环境的拉曼和有机化学发光(SHERLOC)拉曼带宽校准。
IF 2.2 3区 化学
Applied Spectroscopy Pub Date : 2024-09-01 Epub Date: 2023-11-15 DOI: 10.1177/00037028231210885
Ryan S Jakubek, Rohit Bhartia, Kyle Uckert, Sanford A Asher, Andrew D Czaja, Marc D Fries, Kevin Hand, Nikole C Haney, Joseph Razzell Hollis, Michelle Minitti, Shiv K Sharma, Sunanda Sharma, Sandra Siljeström
{"title":"Calibration of Raman Bandwidths on the Scanning Habitable Environments with Raman and Luminescence for Organics and Chemicals (SHERLOC) Deep Ultraviolet Raman and Fluorescence Instrument Aboard the <i>Perseverance</i> Rover.","authors":"Ryan S Jakubek, Rohit Bhartia, Kyle Uckert, Sanford A Asher, Andrew D Czaja, Marc D Fries, Kevin Hand, Nikole C Haney, Joseph Razzell Hollis, Michelle Minitti, Shiv K Sharma, Sunanda Sharma, Sandra Siljeström","doi":"10.1177/00037028231210885","DOIUrl":"10.1177/00037028231210885","url":null,"abstract":"<p><p>In this work, we derive a simple method for calibrating Raman bandwidths for the Scanning Habitable Environments with Raman and Luminescence for Organics and Chemicals (SHERLOC) instrument onboard NASA's <i>Perseverance</i> rover. Raman bandwidths and shapes reported by an instrument contain contributions from both the intrinsic Raman band (IRB) and instrumental artifacts. To directly correlate bandwidth to sample properties and to compare bandwidths across instruments, the IRB width needs to be separated from instrumental effects. Here, we use the ubiquitous bandwidth calibration method of modeling the observed Raman bands as a convolution of a Lorentzian IRB and a Gaussian instrument slit function. Using calibration target data, we calculate that SHERLOC has a slit function width of 34.1 cm<sup>-1</sup>. With a measure of the instrument slit function, we can deconvolve the IRB from the observed band, providing the width of the Raman band unobscured by instrumental artifact. We present the correlation between observed Raman bandwidth and intrinsic Raman bandwidth in table form for the quick estimation of SHERLOC Raman intrinsic bandwidths. We discuss the limitations of using this model to calibrate Raman bandwidth and derive a quantitative method for calculating the errors associated with the calibration. We demonstrate the utility of this method of bandwidth calibration by examining the intrinsic bandwidths of SHERLOC sulfate spectra and by modeling the SHERLOC spectrum of olivine.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"993-1008"},"PeriodicalIF":2.2,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"107590096","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
Mid-Infrared Dispersion Spectroscopy as a Tool for Monitoring Time-Resolved Chemical Reactions on the Examples of Enzyme Kinetics and Mutarotation of Sugars. EXPRESS:中红外色散光谱法作为一种监测时间分辨化学反应的工具,以酶动力学和糖的变构为例。
IF 2.2 3区 化学
Applied Spectroscopy Pub Date : 2024-09-01 Epub Date: 2024-07-25 DOI: 10.1177/00037028241258109
Alicja Dabrowska, Andreas Schwaighofer, Bernhard Lendl
{"title":"Mid-Infrared Dispersion Spectroscopy as a Tool for Monitoring Time-Resolved Chemical Reactions on the Examples of Enzyme Kinetics and Mutarotation of Sugars.","authors":"Alicja Dabrowska, Andreas Schwaighofer, Bernhard Lendl","doi":"10.1177/00037028241258109","DOIUrl":"10.1177/00037028241258109","url":null,"abstract":"<p><p>Ongoing technological advancements in the field of mid-infrared (MIR) spectroscopy continuously yield novel sensing modalities, offering capabilities beyond traditional techniques like Fourier transform infrared spectroscopy (FT-IR). One such advancement is MIR dispersion spectroscopy, utilizing a tunable quantum cascade laser and Mach-Zehnder interferometer for liquid-phase analysis. Our study assesses the performance of a custom MIR dispersion spectrometer at its current development stage, benchmarks its performance against FT-IR, and validates its potential for time-resolved chemical reaction monitoring. Unlike conventional methods of IR spectroscopy measuring molecular absorptions using intensity attenuation, our method detects refractive index changes (phase shifts) down to a level of 6.1 × 10<sup>-7</sup> refractive index units (RIU). This results in 1.5 times better sensitivity with a sevenfold increase in analytical path length, yielding heightened robustness for the analysis of liquids compared to FT-IR. As a case study, we monitor the catalytic activity of invertase with sucrose, observing the formation of resultant monosaccharides and their progression toward thermodynamic equilibrium. Anomalous refractive index spectra of reaction mixtures, with substrate concentrations ranging from 2.5 to 25 g/L, are recorded, and analyzed at various temperatures, yielding Michaelis-Menten kinetics findings comparable to the literature. Additionally, the first-time application of two-dimensional correlation spectroscopy on the recorded dynamic dispersion spectra correctly identifies the mutarotation of reaction products (glucose and fructose). The results demonstrate high precision and sensitivity in investigating complex time-dependent chemical reactions via broadband refractive index changes.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"982-992"},"PeriodicalIF":2.2,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11462787/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141330296","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Selective Detection of Paraquat in Adulterated and Complex Environmental Samples Using Raman Spectroelectrochemistry. 利用拉曼光谱电化学选择性检测掺假和复杂环境样品中的百草枯
IF 2.2 3区 化学
Applied Spectroscopy Pub Date : 2024-09-01 Epub Date: 2024-08-01 DOI: 10.1177/00037028241267920
Henry S Kavazoi, Celina M Miyazaki, Carlos J L Constantino, Cibely S Martin, Priscila Alessio
{"title":"Selective Detection of Paraquat in Adulterated and Complex Environmental Samples Using Raman Spectroelectrochemistry.","authors":"Henry S Kavazoi, Celina M Miyazaki, Carlos J L Constantino, Cibely S Martin, Priscila Alessio","doi":"10.1177/00037028241267920","DOIUrl":"10.1177/00037028241267920","url":null,"abstract":"<p><p>Growing demand for pesticides has created an environment prone to deceptive activities, where counterfeit or adulterated pesticide products infiltrate the market, often escaping rapid detection. This situation presents a significant challenge for sensor technology, crucial in identifying authentic pesticides and ensuring agricultural safety practices. Raman spectroscopy emerges as a powerful technique for detecting adulterants. Coupling the electrochemical techniques allows a more specific and selective detection and compound identification. In this study, we evaluate the efficacy of spectroelectrochemical measurements by coupling a potentiostat and Raman spectrograph to identify paraquat, a nonselective herbicide banned in several countries. Our findings demonstrate that applying -0.70 V during measurements yields highly selective Raman spectra, highlighting the primary vibrational bands of paraquat. Moreover, the selective Raman signal of paraquat was discernible in complex samples, including tap water, apple, and green cabbage, even in the presence of other pesticides such as diquat, acephate, and glyphosate. These results underscore the potential of this technique for reliable pesticide detection in diverse and complex matrices.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"912-921"},"PeriodicalIF":2.2,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141874043","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 Bloodstains by Species Using Extreme Learning Machine and Hyperspectral Imaging Technology. 快讯:利用极限学习机和高光谱成像技术按物种识别血迹。
IF 2.2 3区 化学
Applied Spectroscopy Pub Date : 2024-09-01 Epub Date: 2024-06-17 DOI: 10.1177/00037028241261727
Zhang Jianqiang, Zhang Xinyu, Lin Caiping, Liang Ying, Ren Huihui, Zhu Hanyu, Peng Xingshuai, Wang Jiateng, Shang Yantong, Peng Chengyun, Yang Qifu
{"title":"Identification of Bloodstains by Species Using Extreme Learning Machine and Hyperspectral Imaging Technology.","authors":"Zhang Jianqiang, Zhang Xinyu, Lin Caiping, Liang Ying, Ren Huihui, Zhu Hanyu, Peng Xingshuai, Wang Jiateng, Shang Yantong, Peng Chengyun, Yang Qifu","doi":"10.1177/00037028241261727","DOIUrl":"10.1177/00037028241261727","url":null,"abstract":"<p><p>How to identify bloodstains and obtain some potential evidence is of great significance for solving criminal cases. First, the spectral data of different species of bloodstain samples (human blood and animal blood) were acquired by using a hyperspectral imager. Then, an extreme learning machine (ELM) algorithm was used to build the training models of different species of bloodstain samples. Meanwhile, two traditional support vector machine and random forest classification algorithms were also compared with the ELM algorithm. The prediction results showed that the precision, sensitivity, specificity, and F1 score of the ELM algorithm were the highest. This indicates that hyperspectral technology, together with an ELM algorithm, could identify bloodstain species rapidly, non-destructively, and accurately. It has provided a new technical reference for bloodstain detection and identification.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"942-950"},"PeriodicalIF":2.2,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141330294","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
Local Modeling by Adapting Source Calibration Models to Analyte Shifted Target Domain Samples Without Reference Values. 通过调整源校准模型以适应无参考值的分析物偏移目标域样本来进行局部建模。
IF 2.2 3区 化学
Applied Spectroscopy Pub Date : 2024-09-01 Epub Date: 2024-06-05 DOI: 10.1177/00037028241241557
Jordan M J Peper, John H Kalivas
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