Journal of Spectroscopy最新文献

{"title":"Study on Water Quality Inversion Model of Dianchi Lake Based on Landsat 8 Data","authors":"Jiaju Cao, Xingping Wen, Dayou Luo, Yi Mei Tan","doi":"10.1155/2022/3341713","DOIUrl":"https://doi.org/10.1155/2022/3341713","url":null,"abstract":"Efficient, comprehensive, continuous, and accurate monitoring of organic pollution in lakes can provide a reliable basis for water quality assessment and water pollution prevention This paper takes Dianchi Lake as the research object, aiming at the four important water quality indexes of permanganate index (COD), dissolved oxygen (DO), hydrogen ion (pH), and ammonia nitrogen (NH3-N); based on the correlation analysis of Landsat 8 data and measured water quality data, an inversion model is constructed to obtain the spatial distribution of the four indexes. The results show that the relative errors of permanganate index (COD) in neural network and multiple regression are 9.68% and 17.48%, respectively; 3.81% and 3.36% in dissolved oxygen (DO); 1.25% and 1.58% in hydrogen ion (pH); in ammonia nitrogen (NH3-N), it is 15.39% and 24.97%, respectively. The lowest COD in the study area is 6.2 mg/L and the highest is 9.8 mg/L; in 2018, the DO is 5.81 mg/L at the lowest and 9.05 mg/L at the highest; the lowest pH is 5.9 mg/L, the highest is 8.54 mg/L, and the lowest NH3-N is 0.22 mg/L, the highest is 0.41 mg/L. The inversion results of the overall pollutant concentration in the study area are consistent with the actual situation, with only some slight deviations in some areas. The two inversion models can effectively monitor the water quality and spatial distribution of Dianchi Lake. The remote sensing inversion model of water quality has the value of in-depth research and promotion.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":"58 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2022-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85621052","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}

{"title":"Application of Linear Additive Conditions for Near-Infrared Diffuse Reflectance Absorption Spectroscopy","authors":"Zhiyue Feng, Guimin Cai, Tiancheng Huang, Hubin Liu, Jianhua Zheng, Ze Yang, Longlian Zhao, Junhui Li","doi":"10.1155/2022/7074677","DOIUrl":"https://doi.org/10.1155/2022/7074677","url":null,"abstract":"Determining the homogeneity of material mixing in real time during product processing is critical for quality control. According to the Kubelka–Munk (K-M) function of diffuse reflectance absorption spectrum, absorbance (A) is approximately linear with the content of the components when the sample scattering coefficient (S) is in a certain range. The S is determined by the particle size of powder samples. Therefore, this study determined particle size ranges that satisfy linear additivity in near-infrared diffuse reflectance spectroscopy (NIRDRS). Thus, the proposed NIRDRS analysis technique can be used to determine the homogeneity of material mixes or analyze the percentages of the components in the mixture. In this study, vitamin B3 and vitamin C were used for preparing mixed samples with varying percentages. The experimental results revealed that linear additivity is satisfied when the powder particle size is in the range of less than 280, 280–450, and 450–900 μm. When the confidence level is 0.01, the actual mixed spectra are not significantly different from the “simulated mixed spectra” constructed by linear addition, with their relative deviations less than 1.08%. The absolute errors of the actual and analytic percentages were within 2.98% for each component in the mixtures. The above conclusions also hold for sorghum, which has a complex material composition. Statistical models cannot analyze the percentages of components in the mixture. In contrast, linear addition and direct calibration approach avoids the use of a large number of samples for statistical modeling and analyze the percentages of mixed samples. Meanwhile, it can be used to discriminate and analyze the material mixing uniformity by building a mechanistic model.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":"1 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2022-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87977796","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}

{"title":"Characterization of Natural Precious Opal Using Modern Spectroscopic Techniques in Ethiopia: The Case from Delanta, South Wollo","authors":"Assamen Ayalew Ejigu, Desalegn Gezahegn Ketemu, Sisay Awoke Endalew, Wudu Yimer Assen","doi":"10.1155/2022/3194151","DOIUrl":"https://doi.org/10.1155/2022/3194151","url":null,"abstract":"The purpose of this study was to conduct characterization of the Delanta natural opals obtained from different mining sites. Characteristics of opals mined from different geological locality were examined. Six opal samples were collected from the main mining sites found in different localities from Delanta district and characterized using Fourier infrared spectroscopy, scanning electron microscopy, X-ray diffraction, and inductively coupled plasma optical emission spectroscopy characterization techniques. The scanning electron microscope micrographs showed that all the samples have relatively semi-ordered (semi-crystalline) structural surface morphologies composed of tiny spherical particles. The performed X-ray diffraction analysis showed that the samples have main peaks at 20.0°, 21.72°, 36.9°, 44.0°, and 56.85° with 2\u0000 \u0000 θ\u0000 \u0000 values between 10° and 60°. The five diffraction peaks are characteristic peak positions of opal-CT. The Fourier infrared spectroscopy data indicated that the prominent absorption bands for cristobalite at 620 and 520 cm−1 were absent from the spectrum. Instead, three bands in the low frequency region centered at 470, 791, and 1100 cm−1 were observed because of the absorptions of the silicate framework (Si-O) vibrations. red−1−1 Moreover,spectra feature of molecular water and silanol (Si-OH) groups with broadabsorption band centered around 3447 cm-1 andthe O-H stretching vibration of watermolecules and water bending vibration withan absorption band centered around 1634 cm-1were observed.. These values were consistently comparable with literature data. The inductively coupled plasma optical emission spectroscopy analysis showed that four main impurities (>500 parts per million) were Ca (∼1,750–4,730 parts per million), Al (∼1,990–4,319  parts per million, K (∼1,670–3,895 parts per million), and Na (∼595–3,723 parts per million). In general, this study revealed that all opal samples taken from six mining sites in Delanta district were found to be opal-CT as per the results of X-ray diffraction and Fourier infrared spectroscopy investigations.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":"12 1 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2022-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78409859","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}

{"title":"Correlation between the NMR Chemical Shifts and Thiolate Protonation Constants of Cysteamine, Homocysteine, and Penicillamine","authors":"Juliana Ferreira de Santana, A. Mirzahosseini, B. Noszál","doi":"10.1155/2022/9491360","DOIUrl":"https://doi.org/10.1155/2022/9491360","url":null,"abstract":"1H and 13C NMR measurements were carried out to explore anticipated correlations between chemical shifts versus thiolate basicities and redox potentials of cysteamine, homocysteine, penicillamine, and their homodisulfides. All correlations were analyzed and statistically evaluated. The closest correlation was observed for the αCH nuclei concerning 1H and 13C NMR data. Since neither site-specific basicities nor site-specific redox potentials can be directly measured by any means in peptides and proteins containing several thiol and/or disulfide units, these data provide a simple method and predictive power to estimate the aforementioned site-specific physicochemical parameters for analogous sulfur-containing moieties in related biopolymers.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":"21 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2022-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87926546","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}

{"title":"Detection Storage Time of Mild Bruise’s Loquats Using Hyperspectral Imaging","authors":"Zhao Han, Bin Li, Qiu Wang, Akun Yang, Yande Liu","doi":"10.1155/2022/9989002","DOIUrl":"https://doi.org/10.1155/2022/9989002","url":null,"abstract":"Bruise may cause spoilage, reduce commodity economic value, and give rise to food quality and safety concerns. Therefore, it is crucial to detect whether a loquat is bruised and when it is bruised to save storage and transportation costs. At present, the bruise of loquats is mainly discriminated by the operator’s naked eye, which is affected by personal habits, light intensity, and subjective psychological factors. The detection method is time-consuming, inaccurate, inefficient, and difficult to identify the bruise’s time of loquats. Due to the fact that the color features can be used to perform the conditions of the darkened and brownish regions in bruise’s loquats, the combined spectral information and the color features method is proposed to accurately detect the storage time of mild bruise’s loquats in this study. In order to reduce economic losses, different methods are used to deal with the loquats at the corresponding bruise’s time. Loquats with four types of bruise’s time, including 6, 12, 24, and 36 h, are studied. Models with four types of characteristics, including spectral information, RGB features combined with spectral information, HSI features combined with spectral information, and mixed color features combined with spectral information (mixed-spectral), are established based on linear discriminant analysis (LDA), support vector machine (SVM), and least-squares support vector machine (LS-SVM). The investigated 400 independent samples with four bruise’s time conditions are utilized to assess the classification ability of the proposed methods. The results indicate that the Mixed-RBF-LS-SVM model has the lowest errors, and the accuracies of storage time of mild bruise’s loquats at 6, 12, 24, and 36 h are 100%, 92%, 92%, and 100%, respectively. The overall accuracy of the LS-SVM model based on mixed-spectral is 96%, and it demonstrates that the combined spectral information and color features method can be used to accurately detect the bruise’s time of loquats. Finally, the LS-SVM model based on mixed-spectral is optimized by UVE, SPA, CARS, and GA, respectively; it is found that the UVE-LS-SVM model based on mixed-spectral is the best, and the overall accuracy is 92%. It also lays a foundation for future studies about detecting the bruise’s time of fruits with a high-precision, rapid, and nondestructive measurement.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":"84 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2022-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83979416","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}

{"title":"Characterization and Optical Studies of Hydroxyethyl Cellulose-Copper Oxide Nanocomposites","authors":"A. Alsubaie","doi":"10.1155/2022/8422803","DOIUrl":"https://doi.org/10.1155/2022/8422803","url":null,"abstract":"In this study, monometallic copper oxide nanoparticles (CuONPs) were synthesized by chemical reduction of copper sulfate (CuSO4) salt through sugar glucose. X-ray diffraction profiles approved the formation of metallic oxide nanoparticles. TEM images showed spherical nanoparticles with an average particle size of 60 nm. The interaction of HEC and copper oxide nanoparticles was investigated by FTIR spectroscopy. The UV-visible absorption spectrum showed a surface plasmon resonance peak at 270 nm. The effect of doping of copper oxide nanoparticles (CuONPs) on the optical and thermal properties of HEC was studied. The results showed that the concentration of CuO nanoparticles has a prominent influence on the optical, structural, and thermal properties of hydroxyethyl cellulose.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":"10 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2022-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91261002","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}

{"title":"Rapid Determination of Aflatoxin B1 Contamination in Peanut Oil by Fourier Transform Near-Infrared Spectroscopy","authors":"Wanqing Yao, Ruanshan Liu, Zhaocheng Xu, Yuling Zhang, Yingming Deng, Hongwei Guo","doi":"10.1155/2022/9223424","DOIUrl":"https://doi.org/10.1155/2022/9223424","url":null,"abstract":"Aflatoxin B1 (AFB1) contamination in peanut oil brings about a significant threat to human health. A method based on Fourier transform near-infrared (FT-NIR) spectroscopy was developed for qualitative and quantitative analysis of AFB1 contamination in peanut oil. A total of 94 samples were collected in the transmission mode and processed by a derivative and smoothing filter. Principal component analysis (PCA), discriminant analysis (DA), and partial least squares regression (PLS) were applied to establish the qualitative and quantitative analysis models. It was demonstrated that the qualitative model could distinguish effectively between the positive and negative samples with identification accuracy up to 100%. The correlation coefficient (R2), the root mean square error of calibration (RMSCE), and the relative percent deviation (RPD) for the quantitative model were 0.951, 3.87%, and 4.52, respectively. There was a good linear relationship between the predicted and reference concentrations of the samples with a significant correlation coefficient of 0.981. The qualitative and quantitative analysis models developed in this work may provide reference for researchers engaged in nondestructive testing of food and agricultural products.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":"23 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2022-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72527182","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}

{"title":"A Variable Selection Method Based on Fast Nondominated Sorting Genetic Algorithm for Qualitative Discrimination of Near Infrared Spectroscopy","authors":"Hubin Liu, Na Liu, Yuhui Yuan, Cihai Zhang, Longlian Zhao, Junhui Li","doi":"10.1155/2022/2141872","DOIUrl":"https://doi.org/10.1155/2022/2141872","url":null,"abstract":"A reliable and effective qualitative near-infrared (NIR) spectroscopy discrimination method is critical for excellent model building, yet the performance of models built by these methods is highly dependent on valid feature extraction. The goal of feature selection is to associate the selected variables with the property of interest, which many have done successfully. However, many of selection methods focus only on strong association with the analytes or properties of interest, neglecting correlations between variables. A variable selection method based on a fast nondominated-ranking genetic algorithm (NSGA-II) was proposed in this paper for qualitative discrimination of NIR spectra. The method had two objective functions: (1) maximizing the sum of ratios of interclass variance to intraclass variance, (2) minimizing the sum of correlation coefficients between the selected variables. FT-NIR spectra of a total of 124 tobacco samples from different origins and parts in Guizhou Province, China, were used as the experimental objects, and the part-grade discrimination models of tobacco leaves were established by combining this method with partial least squares-based discriminant analysis (PLS-DA), and compared with PLS-DA model based on the full spectrum. The results showed that the performance of PLS-DA model with the NSGA-II was improved, with a comparable or better correct discrimination rate and reasonable discrimination rate, and could discriminate different parts of the tobacco leaves well. It indicates that the NSGA-II can select a few and effective feature variables to build a high-performance qualitative discrimination model and is proved to be a promising algorithm. In addition, the method is not designed exclusively for spectral data. It is a general strategy that could be used for variable selection for other types of data.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":"45 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2022-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80278241","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}

{"title":"Effect of Solvents on the Fluorescent Spectroscopy of BODIPY-520 Derivative","authors":"Buthaina Kamel, Moustafa Sayem El-Daher, W. Bachir, A. Ibrahim, S. Aljalali","doi":"10.1155/2022/1172183","DOIUrl":"https://doi.org/10.1155/2022/1172183","url":null,"abstract":"Photodynamic therapy (PDT) is a selective and minimally invasive technique for the treatment of tumors. It includes three components such as photosensitizer, light, and molecular oxygen. The purpose of this work is to investigate the effect of the solvents such as methanol, ethanol, acetone, and water on fluorescent spectroscopy produced by one of the BODIPY derivatives in turbid media. A 520 nm laser diode is used for exciting one of the BODIPY derivatives as a photosensitizer in tissue-like optical phantoms. Results show that the photosensitizer studied without absorption and scattering components in the methanol and ethanol solvent has a prominent fluorescence peak at 600 nm, whereas acetone solvent has a prominent fluorescence peak at 546 nm. Experimental results reveal that when absorption and scattering components are present in addition to the studied solvents, the characteristic fluorescence intensity peak is red-shifted to 678 nm.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":"349 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2022-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75492153","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}

{"title":"Analysis of Carbon Contents and Heavy Metals in Coal Samples Using Calibration-free LIBS Technique","authors":"M. A. Israr, Q. Abbas, S. Haq, A. Nadeem","doi":"10.1155/2022/3328477","DOIUrl":"https://doi.org/10.1155/2022/3328477","url":null,"abstract":"We report a compositional analysis of four coal samples collected from different mines in Pakistan and one Chinese brand. The coal samples were pelletized in the form of a disc and irradiated with a focused laser beam of fundamental (1064 nm) and second (532 nm) harmonics of Nd:YAG laser, which produced plasma on the sample surface. The plasma emissions were recorded using a broadband (200–800 nm), high-resolution spectrometer (LIBS2500plus, Ocean Optics Inc., USA), which shows that the emission spectra from 532 nm, were more intense and dense in comparison with 1064 nm spectra. The compositional analysis of coal samples was performed using the calibration-free LIBS technique, utilizing the plasma temperature and self-absorption corrected emission line intensities. The analysis yields a number of major and trace elements in coal samples, among which the concentration of carbon varies from 642 to 718 g/kg, and sulfur contents were detected as 1.1 to 7.2 g/kg. The heavy metals chromium and lead were detected in the range of 14 to153 and 210 to 252 ppm, respectively. In addition, the gross calorific value (GCV) of all the coal samples was estimated using the concentrations of carbon, hydrogen, nitrogen, oxygen, and sulfur from 26.40 to 27.18 MJ/kg, which is an important parameter to determine the coal quality and burning efficiency.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":"10 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2022-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81976862","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}