Spectroscopy Letters最新文献

{"title":"Infrared spectroscopic and gravimetric analysis of the dicyclobutylaminemetal(II) tetracyanonickellate(II) host-aromatic guest complexes","authors":"Meryem Türkay Aytekin Aydın, Mustafa Şenyel","doi":"10.1080/00387010.2023.2281965","DOIUrl":"https://doi.org/10.1080/00387010.2023.2281965","url":null,"abstract":"M(cyclobutylamine)2Ni(CN)4 (M = Ni or Co) host and M(cyclobutylamine)2Ni(CN)4.nG (M = Ni or Co; cba = cyclobutylamine; G = benzene, 1,2-dichlorobenzene, 1,3-dichlorobenzene, 1,4-dichlorobenzene and...","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"25 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138540789","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 annealing treatment on optical properties of structural color films","authors":"Xiu Li, Lingzhi Liu, Xiaoxue Hu, Jiong Liang, Yuchen Ren, Min Huang","doi":"10.1080/00387010.2023.2278491","DOIUrl":"https://doi.org/10.1080/00387010.2023.2278491","url":null,"abstract":"Structural color materials based on periodic micro and nano structures present unique color rendering mechanism and optical properties, and have a wide range of applications in display, packaging, ...","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"116 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138540804","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 investigations and electronic transitions, topology studies, and biological assay of a potent antimicrobial compound: 2-amino-pyrimidine benzoic acid","authors":"P. Divya, V.S. Jeba Reeda, V. Bena Jothy","doi":"10.1080/00387010.2023.2271611","DOIUrl":"https://doi.org/10.1080/00387010.2023.2271611","url":null,"abstract":"AbstractThe derivatives of benzoic acid, a claimed anti-fungal agent, are physiologically active components of vitamin B-complex. Signals in a heavily deshielded area is found using nuclear magnetic resonance analysis. In optimized geometry, the result reveals that nitrogen and oxygen are responsible for transfer of charge within the ring system wherein increases the bond length. Broadening and red shifting, which result from vibrational assignments, show the strength of intermolecular hydrogen bonds. Topological analysis like atoms in molecules, reduced density gradient graph that demonstrates favorable findings The electron localized function and localized orbital locator analysis are helpful when a site displays a strong distribution of electrons as a result of having the presence of a covalent bond, a lone pair of electrons, or a nuclear shell there. Findings of in vitro tests for antimicrobial activity clearly show that all two strains’ activity and inhibition both rise as compound concentrations climb. The title chemical may be verified to block antimicrobial activity and be a pesticide using molecular docking, in vitro antimicrobial activity, and qualities of a drug’s resemblance.Keywords: AIMELFdockingNMR Disclosure statementNo potential conflict of interest was reported by the author(s).","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"14 2","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136233991","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":"Direct discrimination of palm oil as an adulterant in edible oils using a portable Raman spectrometer","authors":"Shenbagamoorthi S., Karthiga Devi S., Prem Ananth K., Naidu Dhanpal Jayram","doi":"10.1080/00387010.2023.2271973","DOIUrl":"https://doi.org/10.1080/00387010.2023.2271973","url":null,"abstract":"AbstractThe common adulteration process in oils involves mixing low-cost and high-cost edible oils. Palm oil has been widely used as an adulterant in the Indian market. In the present work, different ratios of palm oil were mixed with high-cost edible oils such as sunflower, groundnut, coconut, and gingelly. Raman peak intensity for all edible oils individually and after mixing palm oil as an adulterant was studied using a portable Raman spectrometer. The peaks at 838 cm−1, 868 cm−1, 973 cm−1, 1077 cm−1, 1262 cm−1,1300cm−1, 1438 cm−1, 1655 cm-1, and 1745 cm−1 represent vibration due to the (C–C) stretching, (CH) wagging from cis (–CH = CH–), δ(=CH), skeletal C–C stretching, (CH) deformation of (CH2), scissoring vibration of CH2 group, (C=C) stretching from cis –(CH=CH–), and (C=O) stretching vibration from (RC=OOR) for sunflower oil, groundnut oil, gingelly oil, and coconut oil. An attempt has been made to detect 12.5 mL of palm oil in 100 mL of high-cost edible oil. Raman peaks disappeared while adding more than 12.5 mL of adulterate oil. The disappearance of peaks in edible oils, 973 cm−1 for sunflower oil, 970 cm−1 for groundnut oil, 1122 cm−1 for coconut oil, and 1745 cm−1 for gingelly oil respectively. The obtained results will be used for futuristic data analysis to directly detect adulterants in the oils.Keywords: Adulterated with palm oiledible oilspercentage of adulterationRaman spectroscopy Authors’ contributionS. Shenbagamoorthi: Conceptualization, Data curation, Investigation, Writing—original draft. S. Karthiga Devi: Experimental Analysis, Software. K. Prem Ananth: Writing—review and editing, Visualization. Naidu Dhanpal Jayram: Resources, Validation, Project administration, Funding acquisition, Supervision.Disclosure statementOn behalf of all authors, the corresponding author states that there is no conflict of interest.Additional informationFundingOne of the authors, Naidu Dhanpal Jayram acknowledges DST-SERB File no SRG 001576/2019 for providing a startup research grant.","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"165 5","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136234123","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":"Soybean yield estimation based on hyperspectral technology under water stress","authors":"Yongkai Xie, Yutong Qiu, Jinyu Wang, Rui Yao, Hongming Chen","doi":"10.1080/00387010.2023.2271555","DOIUrl":"https://doi.org/10.1080/00387010.2023.2271555","url":null,"abstract":"AbstractJindazaohuang No. 2 was selected as the test material to analyze the law of yield change under different water stress conditions. Through spectral monitoring of soybean canopy height under different water stress treatments, the rule of yield variation was explored and the response rule of canopy spectral reflectance to water stress was studied. At the same time, successive projections algorithm is used to extract the characteristic band, and the multiple linear regression monitoring model based on the soybean yield characteristic band is constructed. The results showed that the higher the degree of water stress, the lower the yield of soybean is basically. The canopy spectral reflectance is significantly related to yield of soybean, the coefficient of determination R2 of the successive projections algorithm-multiple linear regression model 41 days after construction was 0.791. The model test results are significant and the fitting effect is good. The research found that it is feasible to use hyperspectral technology to monitor the growth and yield of soybean under water stress quickly and nondestructively.Keywords: Canopy spectral reflectancesoybeanthe droughtwater stressyield Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationFundingThis work was supported by the Basic Research Program of Shanxi Province [202203021212188, 20210302123411], the Higher Education Project of Scientific and Technological Innovation in Shanxi Province [2021L444], the Higher Education Reform and Innovation Project of Shanxi Province [J20231108], the Research topic of postgraduate education and teaching reform [SYYJSJG-2176], the College Students' Innovative Entrepreneurial Training [20230916], and \"1331 Project\" Service Basin Ecological Governance Industry Innovation Discipline Cluster Construction Project of Shanxi Province [2021 (4)].","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"19 6","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135315743","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":"The discrimination of geographical origin of lotus root from major producing areas of China based on multi-elemental analysis combined with multivariate data analysis","authors":"Long-Hua Zhou, Wei-Hua Huang, Li-Fang Ma, Yong-Jiu Jin, Ming Li, Wei-Hua Wang, Xiao-Ling Cao","doi":"10.1080/00387010.2023.2266012","DOIUrl":"https://doi.org/10.1080/00387010.2023.2266012","url":null,"abstract":"AbstractLotus root is a popular traditional Chinese food of great economic and nutritional significance, which has different qualities, characteristics, and commercial value from various regions due to the climate and growing environment. Therefore, it is essential and urgent to establish an accurate and effective method to trace the geographical origins of lotus roots. This study combined mineral element analysis and multivariate statistical analysis to discriminate the origins of 147 lotus root samples from different production regions of China. The concentrations of 15 elements were determined by inductively coupled plasma emission spectrometry and inductively coupled plasma mass spectrometry. In addition, chemometric techniques, including ANOVA, principal component analysis and stepwise linear discriminant analysis were utilized to identify the geographical origin of lotus roots. The results showed that the levels of the 15 elements were significantly different by ANOVA. The study indicates that stepwise linear discriminant analysis yielded an average discrimination rate of 99.3%.Keywords: Geographical discriminationlotus rootmineral elementsmultivariate data analysis Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationFundingWe gratefully acknowledge the Health Commission of Jiangxi Province (No. 20202027) and Science and Technology department of Jiangxi Province (No. 20192BBG70008 and 20203BBGL73211) for financial support of this work.","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"145 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136294349","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":"Analytical solution for rovibrational spectra of diatomic polar molecules in the elliptically-polarized laser field","authors":"Eugene Oks","doi":"10.1080/00387010.2023.2263512","DOIUrl":"https://doi.org/10.1080/00387010.2023.2263512","url":null,"abstract":"AbstractThis article presents an analytical study of the shift/splitting of the rovibrational energy levels of diatomic polar molecules under the elliptically-polarized laser field. First, there are derived general formulas for the matrix elements of the energy shift operator between arbitrary rovibrational states. Then there are provided, as an example, explicit analytical results for the energy shifts/splitting of the rotational level J = 2 and illustrate them. Based on the derived analytical results, there is proposed a new method for the spectroscopic diagnostic of the parameters of the elliptically-polarized laser field inside low-temperature plasmas.Keywords: Diatomic polar moleculeselliptically-polarized laser radiationlow-temperature plasmasmethod for spectroscopic diagnosticquasienergiesrovibrational spectraSHIFT and splitting of energy levels AcknowledgementThe author thanks B. B. Nadezhdin for the assistance.Disclosure statementNo potential conflict of interest was reported by the author(s).","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"40 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136294355","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 seed oil quality in <i>Iris lactea</i> by attenuated total reflection-Fourier transform infrared spectroscopy coupled with chemometrics","authors":"Ruolan Long, Zhenjie Luan, Dan Feng, Peipei Li, Jing Sun","doi":"10.1080/00387010.2023.2257787","DOIUrl":"https://doi.org/10.1080/00387010.2023.2257787","url":null,"abstract":"AbstractIris lactea Pall. var. chinensis (Fisch.) Koidz. Seed oil has high medicinal value, including antibacterial, anti-inflammatory, and prevention and treatment effects on hypertension. In this study, the oil from nine different geographical locations of I. lactea seeds was extracted, and then the total polyphenol content, the ratio of major unsaturated and saturated fatty acids, and the antioxidant capacity of the oil were examined separately. Combining attenuated total reflection-Fourier transform infrared spectroscopy and chemometric methods, analysis models of the total polyphenol content, the ratio of major unsaturated fatty acids and saturated fatty acids, and the antioxidant capacity of I. lactea seeds oil were developed. The results showed that the total polyphenol content of I. lactea seeds oil ranged from 14.46 to 104.91 mg/kg gallic acid equivalents, the ratios of unsaturated to saturated fatty acids were between 5.00 and 12.50, and the half-maximal inhibitory concentration of scavenging 2,2-Diphenyl-1-picrylhydrazyl free radicals was between 3.53 and 7.23 mg/mL. The proposed model for the ratio of unsaturated to saturated fatty acids showed good robustness with the root mean square error being adequate for the intended demand (<1), the correlation coefficients greater than 0.95, and the ratio of prediction to deviation greater than 3. The correlation coefficient of the total polyphenol content and antioxidant activity models were greater than 0.9 and the ratio of prediction to deviation was both greater than 2, showing a good correlation. In conclusion, all results indicated that I. lactea seeds oil was a healthy oil with development value, and attenuated total reflection-Fourier transform infrared spectroscopy was a simple and reliable method to evaluate the quality of I. lactea seeds oil as an alternative to wet chemical methods.Keywords: Iris lactea seeds oiltotal polyphenolfatty acidantioxidant activity ATR-FTIR Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationFundingThis study was supported by the National Natural Science Foundation of China (32270402), the Special Projects for the Construction of Qinghai Provincial Key Laboratories.","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"745 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134971092","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":"Enhancing environmental monitoring: utilizing plant and soil assays to track pollution in a Turkish organized industrial zone","authors":"Ibrahim Ilker Ozyigit, Belma Gjergjizi Nallbani, Ibrahim Ertugrul Yalcin, Goksel Demir, Albana Plakiqi-Milaimi","doi":"10.1080/00387010.2023.2257791","DOIUrl":"https://doi.org/10.1080/00387010.2023.2257791","url":null,"abstract":"AbstractThe aim of the current investigation was to determine the concentration of different metals in Mentha spicata L. subsp. tomentosa plants and soils in order to highlight the pollution level in a Turkish Organized Industrial Zone in Dilovasi District, in Kocaeli City. The concentration of metals in plant and soil samples were examined. When the soil values were examined, the highest cadmium, chromium, copper, iron, nickel, and lead levels were collected from the location which is hosting numerous industrial facilities. All elements except boron and copper, exceeded normal limits in the leaf samples while cadmium, chromium, iron, nickel, lead, and zinc reached “toxic levels” in leaf samples. Heavy metals were accumulated in leaves more than rhizomes. Mineral element uptake and accumulation were affected from heavy metal amounts, especially in rhizomes. Although washing procedure notably reduced the concentration of some heavy metals in leaves samples, the reduced values were higher than acceptable levels in some locations of the district. According to the data, it may be said that the region, especially its industrialized parts are heavily polluted by heavy metals. Moreover, in the accordance with the fact that, the highest values of elements were determined in regions having considerable industrial activity such as metal and plastic processing facilities. Additionally, Mentha spicata plants exhibited higher heavy metal values in areas with high heavy metal content in the soil, and lower heavy metal values in areas with low heavy metal concentration. These findings indicate that Mentha spicata, a plant known for its medicinal and culinary uses, can be considered as an effective biomonitor for heavy metal pollution in the region. Consequently, constant inspection is required to prevent the excessive buildup of metals in the region and similar areas with comparable characteristics in terms of human life.Keywords: BioaccumulationDilovasi districtelementsMentha spicata Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationFundingNo financial support was received from any institutions or organizations for the study.","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"49 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134971091","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 identification of chemical composition and quality markers of Gynostemma pentaphylla by ultra-performance liquid chromatography combined with triple quadrupole mass spectrometry connected with high-performance liquid chromatography","authors":"Yumeng Wang, Yunshan Wu, Siyu Wang, Wei-Ying Chen, Lei Chen, Xiaodong Han, Bo Liu, Shumei Wang","doi":"10.1080/00387010.2023.2252887","DOIUrl":"https://doi.org/10.1080/00387010.2023.2252887","url":null,"abstract":"Abstract Gynostemma pentaphylla, one of the traditional Chinese medicinal materials, which has gradually become a research hotspot due to its rich pharmacological activities such as hypolipidemic properties, anti-inflammatory, anti-cancer and etc. The main active ingredients of Gynostemma pentaphyllum are saponins (gypenoside), flavonoids and polysaccharides. The pharmacologically active dose depends on the content of the active ingredient, so it is necessary to establish a reliable quality evaluation standard for Gynostemma pentaphyllum. However, the existing Gynostemma pentaphyllum quality control methods are not perfect, Ginsenoside Rb1 was regarded as a signature ingredient of Gynostemma pentaphylla in local standards. Surprisingly, the high-performance liquid chromatogram results displayed that the content of Ginsenoside Rb1 was not suitable as a quality marker. Therefore, a triple quadrupole time-of-flight tandem mass spectrometer method was developed to explore other potential quality markers in Gynostemma pentaphylla. As a result, a total of 24 compounds was identified tentatively. While another stable and reliable component Gypenoside XLVI was found and the content was carried out. It was expected to replace Ginsenoside Rb1 to establish a more reliable and precise quality standard of Gynostemma pentaphylla.","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"56 1","pages":"434 - 443"},"PeriodicalIF":1.7,"publicationDate":"2023-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41506859","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}