SpectroscopyPub Date : 2023-08-01DOI: 10.56530/spectroscopy.xy6377n5
Ling-yu Zhao, Guo-ping Wu, Yuan-zhao Wu
{"title":"Evaluation of Shifted-Excitation Raman Difference Spectroscopy and Comparison to Ordinary Portable Raman Spectroscopy in Identification of Seized Drugs","authors":"Ling-yu Zhao, Guo-ping Wu, Yuan-zhao Wu","doi":"10.56530/spectroscopy.xy6377n5","DOIUrl":"https://doi.org/10.56530/spectroscopy.xy6377n5","url":null,"abstract":"Rapid and accurate identification and detection of illicit drugs are important for combating drug crimes. As a newly developed technology, shifted-excitation Raman difference spectroscopy (SERDS) can greatly reduce the interference caused by fluorescence and improve the potential of Raman for distinguishing drug compounds in seized samples with fluorescent additives. In this work, 43 random seized drugs were scanned and analyzed by both SERDS and ordinary portable Raman spectrometers for the first time. The detected results of two Raman technologies were confirmed with gas chromatographic mass spectrometry test results, and compared in detail in the aspects of detection rate and matching accuracy. SERDS had significant advantages in eliminating fluorescence interference with a very high detection rate of 93.0%, compared with 53.3% obtained by an ordinary Raman spectrometer, although the ordinary Raman spectrometer analyzed the composition of multi-component mixed samples with higher accuracy. To some extent, the two Raman spectrometers realized functional complementarity, and a rational use of the two types of Raman spectrometers may be of benefit in the rapid detection of seized drugs.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"11 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79664691","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}
SpectroscopyPub Date : 2023-08-01DOI: 10.56530/spectroscopy.ww1181l1
Sicong Zhu, H. Gu, Zhushanying Zhang, J. Sa, Dongyun Zheng, Huimin Cao, Q. Xie
{"title":"Flexible Stacked Partial Least Squares for Mid-Infrared Spectroscopy Glucose Detection","authors":"Sicong Zhu, H. Gu, Zhushanying Zhang, J. Sa, Dongyun Zheng, Huimin Cao, Q. Xie","doi":"10.56530/spectroscopy.ww1181l1","DOIUrl":"https://doi.org/10.56530/spectroscopy.ww1181l1","url":null,"abstract":"In this work, we propose a data fusion regression approach for quantitative analysis of glucose using mid-infrared (IR) spectra. First, the approach computes the variable score index. Several submodels are then generated in terms of the index from the calibration set. Finally, the ensembled regression model is created by combining these submodels. In addition, five different regression approaches from the literature are comparatively assessed. Our research shows that one model proposed achieves good performance (with a correlation coefficient of 0.94). our conclusion is that the data fusion model can provide an accurate and robust prediction result for IR glucose measurements.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"66 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86831624","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}
SpectroscopyPub Date : 2023-08-01DOI: 10.56530/spectroscopy.oe1567k3
Megan Wilson, J. Birkett, Iftikhar Khan, Ismail Abbas, Leung Tang, D. Al-Jumeily, S. Assi
{"title":"The Detection of Biomarkers and Cocaine in Fingernails Using Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy","authors":"Megan Wilson, J. Birkett, Iftikhar Khan, Ismail Abbas, Leung Tang, D. Al-Jumeily, S. Assi","doi":"10.56530/spectroscopy.oe1567k3","DOIUrl":"https://doi.org/10.56530/spectroscopy.oe1567k3","url":null,"abstract":"Attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FT-IR) provides portable and rapid analysis of biomarkers and drugs within fingernails. Fingernails offer a suitable alternative to traditional biological matrices and provide advantages such as non-invasive collection and requiring small sample sizes. This work utilized ATR-FT-IR for detecting biomarkers and cocaine within fingernails. Fingernails were analyzed initially “as received” to identify biomarkers such as carbohydrates, lipids, and proteins over the range 650–4000 cm-1. Spectra were collected for fingernails before and after spiking with cocaine hydrochloride. Measurements were taken at one week and up to six weeks. Principal component analysis (PCA) revealed distinct clusters within the PC scores of cocaine-spiked versus unspiked fingernails. Findings showed that ATR-FT-IR spectroscopy could characterize fingernails based on intrinsic components and identify the presence or absence of cocaine within them.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"63 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85395961","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}
SpectroscopyPub Date : 2023-08-01DOI: 10.56530/spectroscopy.gb4767c3
D. Bradshaw
{"title":"Key Points to Remember When Using Internal Standards for Sample Analysis by ICP-OES","authors":"D. Bradshaw","doi":"10.56530/spectroscopy.gb4767c3","DOIUrl":"https://doi.org/10.56530/spectroscopy.gb4767c3","url":null,"abstract":"Using internal standards is a common technique to correct for variations in sample matrices and the affect this has on analyte intensities. There are several basic criteria to be considered when using internal standards: selection of appropriate internal standards, the concentration added to the solutions analyzed, setting up in the correct view (axial vs. radial), how to introduce the internal standard to the solutions to be analyzed, and evaluating the resulting data. Each of these topics are considered and suggestions presented.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"56 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83904846","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}
SpectroscopyPub Date : 2023-07-01DOI: 10.56530/spectroscopy.jc4473j7
D. Zhao, Bo Wu, Bo Li, Baohua Zhou, Jianfeng Cui, Weijuan Zhao, Qinlong Chen
{"title":"Technological Analysis of Glazed Tiles Unearthed from Bao’ensi in Nanjing","authors":"D. Zhao, Bo Wu, Bo Li, Baohua Zhou, Jianfeng Cui, Weijuan Zhao, Qinlong Chen","doi":"10.56530/spectroscopy.jc4473j7","DOIUrl":"https://doi.org/10.56530/spectroscopy.jc4473j7","url":null,"abstract":"To understand the firing technology and the level of production of glazed tiles in the Ming Dynasty, an ultraviolet-visible-near-infrared (UV-vis-NIR) spectrophotometer and an energy-dispersive X-ray fluorescence (XRF) spectrometer were used to systematically analyze the glaze color and chemical composition of glazed tiles unearthed from the southern area of the Bao’ensi site. The results revealed that little difference exists in the main wavelengths of the same glazed tile samples, but that the colored elements of glaze with different colors are different. Iron (Fe) is the main element that affects the color of yellow glaze; copper (Cu) is the main element that affects the color of green glaze; and the main colorants that affect the color of black glaze are Fe, Cu, and manganese (Mn). The yellow and black glaze unearthed from the southern area of the Bao’ensi site were relatively mature in terms of raw material composition and technological formula, whereas the raw material and technological formula of green glaze were not stable enough. To meet temple construction needs, workers were skilled in firing glazed tiles with different glaze color requirements, indicating that the glaze color of the glazed tiles was relatively mature at that time.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"3 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80957401","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}
SpectroscopyPub Date : 2023-07-01DOI: 10.56530/spectroscopy.xr3287v2
Shi Zhongxiang, Shi Jun, Wang Jing, Lu Yang, Liu Yongfu
{"title":"Preparation and Spectral Properties of MgAl2O4: Tb3+ Phosphor","authors":"Shi Zhongxiang, Shi Jun, Wang Jing, Lu Yang, Liu Yongfu","doi":"10.56530/spectroscopy.xr3287v2","DOIUrl":"https://doi.org/10.56530/spectroscopy.xr3287v2","url":null,"abstract":"A series of Tb3+ doped cubic MgAl2O4 green phosphors were synthesized via hydrothermal method followed by a post-annealing process. The variation regularity of phase structure, morphology, particle size and concentration quenching mechanism were investigated. The results showed that the crystal structure of matrix materials was not affected when Tb3+ ions were introduced. In addition, the micrometer-sized rods and excellent dispersion of the particles were obtained by adding urea. Under excitation at 377 nm, the phosphors exhibited the characteristic of Tb3+ emissions with the peaks located at 488 nm (5D4 → 7F6), 544 nm (5D4 → 7F5) and 588 nm (5D4 → 7F4), respectively. Moreover, based on optical analysis, it can be inferred that electric dipole-dipole (d-d) interaction plays an important role in concentration quenching process of Tb3+ ions. The green light emitting phosphor MgAl2O4: Tb3+ can be realized by adjusting the concentrations of Tb3+, and the optimum concentration of Tb3+ ions in MgAl2O4 was found to be 0.02. Finally, the average fluorescence decay lifetime and the CIE chromaticity coordinates of Mg0.98Al2O4: 0.02Tb3+ phosphor were calculated to be 1.2005 ms and (0.3197 0.4109), respectively. The above results suggest that the developed phosphor could have potential to be used as a single-phase green emission phosphor for near-ultraviolet light-emitting diode (NUV-LED) applications.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"57 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76077209","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}
SpectroscopyPub Date : 2023-07-01DOI: 10.56530/spectroscopy.fn3378a3
B. Smith
{"title":"Infrared Spectroscopy of Polymers XIII: Polyurethanes","authors":"B. Smith","doi":"10.56530/spectroscopy.fn3378a3","DOIUrl":"https://doi.org/10.56530/spectroscopy.fn3378a3","url":null,"abstract":"We continue our survey of the spectra of nitrogen containing polymers with a look at polyurethanes. Polyurethanes are widely made into foam rubber, elastic, and wood coatings, amongst other things. The spectra of polyurethanes are similar to polyamides since both polymer types contain C=O and N-H bonds. Therefore, we will begin with a review of the spectra of polyamides.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"121 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83515265","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}
SpectroscopyPub Date : 2023-07-01DOI: 10.56530/spectroscopy.kh5380l2
R. Steven Pappas, Naudia Gray
{"title":"Contamination Control During Sample Preparation for Trace Element Analysis of Electronic Cigarette Aerosol with Inductively Coupled Plasma-Mass Spectrometry, Part 2","authors":"R. Steven Pappas, Naudia Gray","doi":"10.56530/spectroscopy.kh5380l2","DOIUrl":"https://doi.org/10.56530/spectroscopy.kh5380l2","url":null,"abstract":"Part 1 of this tutorial addressed how environmental contamination may be minimized by using proper personal analytical practices, sample preparation environmental suggestions, avoidance of glass and low purity quartz contact with samples and standards during sample collection and preparation, and appropriate choices of high purity solvents during sample collection and preparation. Part 2 continues the discussion in terms of minimizing sample contamination issues by using high purity polymer materials for sample collection and preparation, as well as discuss the differences between instrument and method limits of detection (LODs). Accepted and appropriate procedures for calculating method LODs are related to variability in instrument response and unavoidable environmental contamination during even the cleanest sample preparation. Adherence to such practices will help analysts avoid false positives and report results with a high level of confidence.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"72 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135265602","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}
SpectroscopyPub Date : 2023-06-01DOI: 10.56530/spectroscopy.kz7587y6
Ron Ye, Chunhong Liu, Daoliang Li, Yingyi Chen, Yuchen Guo, Qingling Duan
{"title":"Identifying Freshness of Shrimp Following Refrigeration Using Near-Infrared Hyperspectral Imaging","authors":"Ron Ye, Chunhong Liu, Daoliang Li, Yingyi Chen, Yuchen Guo, Qingling Duan","doi":"10.56530/spectroscopy.kz7587y6","DOIUrl":"https://doi.org/10.56530/spectroscopy.kz7587y6","url":null,"abstract":"Shrimp tends to deteriorate during the refrigeration process. To monitor the freshness of shrimp during refrigeration, near-infrared (NIR) hyperspectral imaging was utilized to non-destructively identify the freshness of shrimp. In the process, three preprocessing methods (multivariate scatter correction [MSC], standard normal variate [SNV], and direct orthogonal signal correction [DOSC]) were employed to preprocess the full-wavelength spectral data, and three characteristic wavelength extraction algorithms (competitive adaptive reweighted sampling [CARS], and random forest [RF] simulated annealing [SA]) were used to extract the best-pre-processed data. Because extreme learning machine (ELM) and kernel extreme learning machine (KELM) are easily affected by parameters, ELM (based on teaching-learning-based optimization [TLBO]) and KELM (based on teaching-learning-based optimization [TLBO]) were proposed. In this study, four discriminant models (ELM, TLBO– ELM, KELM, and TLBO–KELM) were used for the full wavelength modeling analysis and the characteristic wavelength modeling analysis. In this work, the results of the final selected models are presented.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"60 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84655303","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}