Journal of Spectroscopy最新文献

{"title":"Simple Determination of Gemifloxacin Levels in Human Plasma using High-Performance Liquid Chromatography-Tandem Mass Spectrometry","authors":"Gaeun Kang, Sang Heon Suh, S. Ma, Jong-Keun Kim","doi":"10.1155/2022/8935929","DOIUrl":"https://doi.org/10.1155/2022/8935929","url":null,"abstract":"Gemifloxacin, a broad-spectrum antibacterial agent of the fluoroquinolone class, is used to treat bacterial infections, including acute bacterial exacerbation of chronic bronchitis and community-acquired pneumonia. This study aimed to develop a simple and robust analysis of gemifloxacin in human plasma by high-performance liquid chromatography-tandem mass spectrometry (LC-MS/MS). The sample was prepared using simple protein precipitation procedures with acetonitrile and separated using the Gemini C18 column with a mobile phase (0.1% formic acid: 0.1% formic acid in acetonitrile = 78: 22 (V/V)). Moxifloxacin was used as an internal standard. The mass spectrometer was operated in the positive ion mode using multiple reaction monitoring. Each precursor ion of gemifloxacin and moxifloxacin was monitored at m/z 390.1/402.1, and their product ions were monitored at m/z 372.3/384.4. The calibration curve showed linearity in 0.005–5 μg/mL with an appropriate correlation coefficient (≥0.99). The variation coefficient of intra- and interprecision values of gemifloxacin was <15%. The intra- and interaccuracy values ranged from 85% to 115%, except for the lower limit of quantification (accuracy range: 80%–120%). The proposed method was performed with a simple preparation step, and moxifloxacin, which is easily accessible, was used as the internal standard. These results suggest that the present assay is a practical analytical method and, therefore, can be readily applied for analysis, including in pharmacokinetic studies and therapeutic drug monitoring of gemifloxacin.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2022-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76545477","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":"Evaluation of a Peak-Free Chemometric Laser-Induced Breakdown Spectroscopy Method for Direct Rapid Cancer Detection via Trace Metal Biomarkers in Tissue","authors":"Otieno Emily Akinyi, A. Kalambuka, A. Dehayem-kamadjeu","doi":"10.1155/2022/1874173","DOIUrl":"https://doi.org/10.1155/2022/1874173","url":null,"abstract":"The ability to perform direct rapid analysis in air and at atmospheric pressure is a remarkable attraction of laser-induced breakdown spectroscopy (LIBS) for the diagnostic quantification of disease biomarker metals in body tissue. However, accurate trace analysis is limited by matrix effects and a pronounced background that masks the subtle (peak-free) analyte signals because tissue plasma is dense and most lines are optically thick. In this work, a peak-free chemometric LIBS method based on a single-shot (for rapidity and nondestructiveness) and an artificial neural network multivariate calibration strategy with spectral feature selection was evaluated for its utility for direct trace quantitative analysis of copper (Cu), iron (Fe), manganese (Mg), magnesium (Mg), and zinc (Zn) in model soft body tissue. The spectral signatures corresponding to the biometals (so-called because the metals are intrinsic to tissue biochemistry) were generated by spiking their known human-body-representative concentrations in molten paraffin wax. The developed multivariate analytical model achieved ≥95% accuracy as determined from the analysis of oyster tissue-certified reference material. The analytical models were tested on the liver, breast, and abdominal tissue biopsies. The results of applying the model to the clinical tissues indicated the absence or presence (including severity) of cancer as either malignant or benign, in agreement with the pathological examination report.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2022-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90357963","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":"Measurement of Phenolic Compounds by Spectrometry and Chromatography in Lime Juices","authors":"F. Shakeri, M. Shakeri, Fatemeh Pour Ramezani, Mohadeseh Pirhadi, Masoud Aman Mohammadi, S. Shokri, T. Zeinali","doi":"10.1155/2022/9228394","DOIUrl":"https://doi.org/10.1155/2022/9228394","url":null,"abstract":"Juice demand has been increasing at a rapid rate in recent years, and one of the major efforts underway to meet this demand is to minimize changes during the juice process. Due to the high consumption of juice and the carcinogenicity of synthetic and chemical substances, this research uses high performance liquid chromatography (HPLC) and spectrophotometry to detect fake juices. For the detection of fraud, the tests of sodium and potassium content along with determining the amount of flavonoids (hesperidin and eriocitrin) were carried out using spectrophotometry and HPLC. The results showed the average amount of total polyphenol was from 32.4 to 42.6 mg L-1. The total polyphenol content in all samples conformed to the standard, and there was no significant difference between the samples and the standard. The amounts of flavonoids (hesperidin and eriocitrin) in the juice samples were below the standard level (a minimum of 90 and 20 g/mL, respectively). Also, there was a significant difference between the mean sodium and potassium content of standard versus feigned juices. Generally, the amount of hesperidin, eriocitrin, Na+, and K+ as diagnostic biomarkers of natural juice in all samples was below the standard level. All the analysed samples in the experiment were nonstandard. There is a lot of fraud in the juice business, so it has been suggested that the government should have more control over how manufacturing companies make juice.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2022-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73591186","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":"Study on the Quantitative Assessment of Impact Damage of Yellow Peaches Using the Combined Hyperspectral Technology and Mechanical Parameters","authors":"Feng Zhang, Bin Li, Hai-Long Yin, Jiping Zou, Aiguo Ouyang","doi":"10.1155/2022/7526826","DOIUrl":"https://doi.org/10.1155/2022/7526826","url":null,"abstract":"The quantitative description of the impact damage of yellow peaches is an essential basis for evaluating their quality and guiding their postharvest handling. In this study, the combined hyperspectral technology and mechanical parameters method were used to quantitatively investigate the impact damage of yellow peaches. Firstly, the mechanical parameters, which are damaged area, absorbed energy, maximum contact force, and maximum stress of yellow peaches, were obtained by the impact device. The statistical regression models between mechanical parameters and damage area were established, and the results showed that the absorbed energy and maximum contact force are the optimal parameters to characterize the impact damage of yellow peaches. Then, the raw spectra were preprocessed by three spectral pretreatment methods, which are standard normal variate (SNV), multiplicative scatter correction (MSC), and SG smoothing, respectively, and the feature wavelengths were selected by the competitive adaptive reweighted sampling (CARS), and the quantitative relationships between spectra and mechanical parameters were successfully modeled based on partial least squares regression (PLSR). The results showed that there is a strong linear correlation between the spectral data and the mechanical parameters, and the prediction performance of the SNV-CARS-PLSR model is best, and the RP and RMSEP of the damaged area, absorbed energy, maximum contact force, and maximum stress of it were 0.920 and 86.452 mm2, 0.845 and 1.303 J, 0.943 and 49.666 N, 0.660 and 0.146 MPa, respectively. In a word, this study shows that the combined hyperspectral technology and mechanical parameters method can be used to quantitatively assess the impact damage of yellow peaches, and guide the postharvest handling of fruits.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2022-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78484675","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":"Quantitative Raman Spectroscopic Determination of the Composition, Pressure, and Density of CO2-CH4 Gas Mixtures","authors":"Ying Chen, I. Chou","doi":"10.1155/2022/7238044","DOIUrl":"https://doi.org/10.1155/2022/7238044","url":null,"abstract":"The Raman spectra for pure CO2 and CH4 gases and their ten gas mixtures were collected at pressures and temperatures ranging from 2 MPa to 40 MPa and room temperature (∼24°C) to 300°C, respectively. A systematic analysis was carried out to establish a methodology for the quantitative determination of the composition, pressure, and density of CO2-CH4 mixtures. The shift in the peak position of the υ1 band for CH4 was sufficiently large to enable the accurate determination of the pressure of pure CH4 and CH4-dominated fluids (>50 mol% CH4). An equation representing the observed relationship of the peak position of the υ1 band of CH4, density, and composition was developed to calculate the density of CO2-CH4 mixtures. The Raman quantification factor F (CH4)/F (CO2) was demonstrated to be near a constant value of 5.048 ± 0.4 and was used to determine the CH4 to CO2 molar ratio in an unknown CO2-CH4‐bearing fluid with high internal pressure (>10 MPa) based on the Raman peak area ratio. The effect of temperature on the variation in Raman spectral parameters was also investigated at temperatures up to 300°C. The results showed that the effect of temperature must be considered when Raman spectral parameters are used to calculate the pressure, density, and composition of CO2-CH4 gas mixtures. Raman spectroscopic analysis results obtained for six samples prepared in fused silica capillary capsules were validated by comparison with the results obtained from microthermometry measurements.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2022-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79133427","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":"Simple Analytical Method on the Determination of Dexamethasone in Herbal Medicine","authors":"Rimadani Pratiwi, Adira Rahmawaty, A. N. Hasanah","doi":"10.1155/2022/5141647","DOIUrl":"https://doi.org/10.1155/2022/5141647","url":null,"abstract":"Chemical drugs have been added to some of the traditional herbal medicine to enhance the therapeutic effect. One of them is dexamethasone which is added in herbal pain relief. To determine the content of dexamethasone in herbal medicine, a quantitative analytical method was developed with the reaction of the formation of a dexamethasone-hydroxylamine complex with fluoranil which was measured by UV-Vis spectrophotometry. Under optimized conditions, the performance of this system to analyze dexamethasone exhibited a good analytical response. The correlation coefficient was (R2) of 0.9965 from a concentration of 1–40 g/mL, LOD, and LOQ of 0.21 μg/mL and 0.64 μg/mL, % recovery for concentrations of 80%,100%, and 120%, are 100.14% ± 0.58; 98.35% ± 1.19; and 99.00% ± 1.18, respectively; and %RSD is 0.75%. The sixteen herbal medicine samples were analyzed to confirm the application of this method. The result showed six samples confirmed containing dexamethasone with levels ranging from 7.44 to 21.61 μg/mL and confirmed with HPLC data. The UV-Vis spectrophotometry method is simple and effective for dexamethasone analysis in herbal medicine.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2022-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83061478","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":"Spectroscopic Study on the Species and Color Differences of Gem-Quality Red Garnets from Malawi","authors":"Ming Li","doi":"10.1155/2022/1638042","DOIUrl":"https://doi.org/10.1155/2022/1638042","url":null,"abstract":"To reveal the species of gem-grade red garnets with similar colors, especially the mechanisms underlying their subtle color differences, a series of tests, including conventional gemological tests, X-ray diffraction, Fourier-transform infrared spectroscopy, ultraviolet-visible spectroscopy, and X-ray photoelectron spectroscopy, were performed on gem-grade red garnets mined from Malawi. The results demonstrated that the color difference is not caused by the difference in species, and both the purplish-red and maroon-red garnets were magnesium-aluminum garnets (pyrope). They both contained the transition metal ions Fe2+, Mn2+, Fe3+, and Cr3+, with Fe2+ and Mn2+ occupying crystal site A and Fe3+ and Cr3+ occupying crystal site B. Cr3+ absorption peaks were observed at 367 and 690 nm; Fe3+ absorption peaks were observed at 502, 528, and 570 nm; and Mn2+ absorption peaks were observed at 400, 423, and 460 nm, which contributed to their respective colors. However, while the maroon-red pyrope had a larger Fe2+/Fe3+ ratio than the purplish-red pyrope, it lacked Mn2+ ions, which is the cause of the color difference between the two pyrope garnets. To date, the study of color differences in red garnets remains a major controversial topic. This study proposed an innovative spectroscopic approach, particularly the combination of ultraviolet-visible spectroscopy and X-ray photoelectron spectroscopy, thus providing a novel methodology for investigating color differences in red garnets.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2022-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86779736","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":"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":null,"pages":null},"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":null,"pages":null},"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":null,"pages":null},"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}