SpectroscopyPub Date : 2023-12-01DOI: 10.56530/spectroscopy.rp3780c4
Brian C. Smith
{"title":"Inorganics I: Introduction","authors":"Brian C. Smith","doi":"10.56530/spectroscopy.rp3780c4","DOIUrl":"https://doi.org/10.56530/spectroscopy.rp3780c4","url":null,"abstract":"Despite what some people think, inorganics do have mid-infrared spectra. In this column, we will prove this and discuss what inorganic compounds are and describe the general characteristics of their infrared spectra.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138616734","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 : 2023-12-01DOI: 10.56530/spectroscopy.tc3777t8
R. D. McDowall
{"title":"Simple Spectrometer System, Simple Validation?","authors":"R. D. McDowall","doi":"10.56530/spectroscopy.tc3777t8","DOIUrl":"https://doi.org/10.56530/spectroscopy.tc3777t8","url":null,"abstract":"Computerized System Validation (CSV) is usually associated with great mountains of paper (GMP). Why should this be the case? Ask yourself, am I lazy? Why write multiple documents if only one is required to validate a spectrometer with a simple intended use? Interested? Read on…","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138608692","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 : 2023-11-01DOI: 10.56530/spectroscopy.xg9883t4
Yukihiro Ozaki, M. Ishigaki
{"title":"Frontiers of NIR Imaging","authors":"Yukihiro Ozaki, M. Ishigaki","doi":"10.56530/spectroscopy.xg9883t4","DOIUrl":"https://doi.org/10.56530/spectroscopy.xg9883t4","url":null,"abstract":"After a brief introduction to the technique, this review will discuss the state-of-the-art NIR imaging instrumentation and its applications, including applications of an ordinary NIR imaging system to solvent diffusion into a polymer. Other imaging applications discussed include the use of a portable NIR imaging system in the pharmaceutical industry, high-speed and wide-area monitoring of polymers, and imaging for fish embryos development research. Also discussed is an imaging-type two-dimensional Fourier spectroscopy (ITFS) system and its application to medaka (Japanese rice fish, Oryzias latipes) egg development. Finally, general perspectives on NIR imaging will be provided.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139291654","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 : 2023-11-01DOI: 10.56530/spectroscopy.uj1082r1
Zachary D. Schultz
{"title":"Raman Scattering for Label-Free Chemical Imaging","authors":"Zachary D. Schultz","doi":"10.56530/spectroscopy.uj1082r1","DOIUrl":"https://doi.org/10.56530/spectroscopy.uj1082r1","url":null,"abstract":"Raman spectroscopy provides chemical information by detecting light scattered from a monochromatic source (such as a laser) at energies that correspond to molecular vibrations. Because Raman spectroscopy commonly uses visible lasers, the spatial resolution is approximately the same as what can be seen with an optical microscope. First demonstrated in the 1970s, coupling Raman spectroscopy with microscopes enabled the chemical information to be obtained from a focused laser spot. By moving the laser across the sample and recording the Raman spectrum at each location, images can be generated from changes in intensity at different Raman shifts that spatially characterize the molecules present. From the development of the Raman microprobe to today, advances in instrumentation have increased the speed, sensitivity, and spatial resolution of Raman microscopy. This article covers the fundamentals of Raman microscopy and how technological advances are enabling a variety of applications.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139297317","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 : 2023-11-01DOI: 10.56530/spectroscopy.dr5881c1
Xinchao Gao, Fei Hao, W. Pi, Xiangbing Zhu, Tao Zhang, Yuge Bi, Yanbin Zhang
{"title":"Identification and Classification of Degradation-Indicator Grass Species in a Desertified Steppe Based on HSI-UAV","authors":"Xinchao Gao, Fei Hao, W. Pi, Xiangbing Zhu, Tao Zhang, Yuge Bi, Yanbin Zhang","doi":"10.56530/spectroscopy.dr5881c1","DOIUrl":"https://doi.org/10.56530/spectroscopy.dr5881c1","url":null,"abstract":"The emergence and number of grassland degradation-indicator grass species are important in evaluating the extent of grassland degradation. Plant populations in desertified steppe are distributed randomly and at low density. Specifically, degradation-indicator grass species mainly exist as individuals, making spectrum-based identification difficult. Here, a low-altitude unmanned aerial vehicle (UAV) hyperspectral remote-sensing system was constructed to identify the typical degradation-indicator grass species of a desertified steppe in China. The ASI index (Artemisia frigida Willd. and Stipa breviflora Grisb. index) and classification rules were proposed and applied. We implemented a comprehensive application of amplified differences in spectral characteristics between vegetation communities and assigned plant senescence reflectance-index bands, using the characteristics of the plant populations under observation and UAV hyperspectral remote-sensing data, to solve the problems resulting from high similarity while identifying ground objects. Our results lay a solid foundation for monitoring and evaluating desertified steppe degradation-indicator grass species based on remote sensing.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139305090","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 : 2023-11-01DOI: 10.56530/spectroscopy.fz7077a2
Shaofang He, Qing Zhou, Fang Wang, Luming Shen, Jing Yang
{"title":"Soil Organic Matter Estimation Modeling Using Fractal Feature of Soil for vis-NIR Hyperspectral Imaging","authors":"Shaofang He, Qing Zhou, Fang Wang, Luming Shen, Jing Yang","doi":"10.56530/spectroscopy.fz7077a2","DOIUrl":"https://doi.org/10.56530/spectroscopy.fz7077a2","url":null,"abstract":"To produce a fast, accurate estimation for soil organic matter (SOM) by soil hyperspectral methods, we developed a novel intelligent inversion model based on multiscale fractal features combined with principal component analysis (PCA) of hyperspectral data. First, we calculated the local generalized Hurst exponent of the spectral reflectivity by multiscale multifractal detrended fluctuation analysis (MMA) while determining the sensitive spectral bands. PCA was employed to access the maximum principal component features of the sensitive bands used as the model input. Finally, two intelligent algorithms, random forest (RF), and a support vector machine (SVM), were utilized for establishing the SOM estimation model. The soil hyperspectral data possesses the typical nature of long-range correlation, presenting distinct fractal structures at different scales and fluctuations. The sensitive bands were from 359 nm to 405 nm, and were not impacted by window fitting size. The accuracy of the models of MMA-based sensitive bands is superior to that of the original bands. The PCA processing brings additional model performance improvement. The MMA-based models combined with RF is recommended for SOM estimation.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139297378","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 : 2023-11-01DOI: 10.56530/spectroscopy.ai1281l4
Barry K. Lavine, T. Hancewicz
{"title":"Analysis of Infrared and Raman Imaging Data Using Alternating and Modified Alternating Least Squares","authors":"Barry K. Lavine, T. Hancewicz","doi":"10.56530/spectroscopy.ai1281l4","DOIUrl":"https://doi.org/10.56530/spectroscopy.ai1281l4","url":null,"abstract":"Modified alternating least squares (MALS) outperforms alternating least squares (ALS) in the analysis of infrared and Raman image spectral data. MALS offers superior stability thanks to ridge regression and a substantial speed advantage due to the kernel nature of the algorithm, reducing computational overhead. MALS excels in resolving basis vectors even in low signal-to-noise, nearly collinear data, whereas ALS often falls short. For spectroscopic imaging, both MALS and other ALS methods rely on spatial resolution between sample components, as low spatial resolution leads to increased mixing of components. Spectroscopic imaging combines spectroscopy and digital imaging to extract chemical composition. Multivariate curve resolution (MCR)’s foundation in ALS regression makes it a vital tool for this analysis, enabling a comprehensive examination of complex spectroscopic images. This tutorial delves into the mathematical techniques necessary for extracting chemical insights from infrared and Raman spectroscopic images. While this discussion focuses on two-dimensional spatial data, the methodology can be extended to three-dimensional data.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139297221","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 : 2023-10-01DOI: 10.56530/spectroscopy.yd8979k2
John Chasse
{"title":"Overcoming the Matrix Effect in the Elemental Analysis of Steel: An Interview with 2023 Meggers Award Winner Johannes Pedarnig","authors":"John Chasse","doi":"10.56530/spectroscopy.yd8979k2","DOIUrl":"https://doi.org/10.56530/spectroscopy.yd8979k2","url":null,"abstract":"The William F. Meggers Award was established in 1970 to honor its namesake, referred to by the National Institute of Standards and Technology on their website as “Dean of American Spectroscopists,” for his notable contributions to that field. This year’s recipient, Johannes Pedarnig of the Institute of Applied Physics at Johannes Kepler University (Linz, Austria) has recently investigated the optical emission of plasma on industrial steel samples utilizing laser ablation-spark discharge-optical emission spectroscopy (LA-SD-OES) and laser-induced breakdown spectroscopy (LIBS). Pedarnig spoke to Spectroscopy about this work as well as what winning the Meggers Award means to him.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136117800","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 : 2023-10-01DOI: 10.56530/spectroscopy.jm1087r1
Howard Mark, Jerome Workman
{"title":"Data Transforms in Chemometric Calibrations: Variation in MLR, Part 3: Reducing Sensitivity to Repack Σbi = 0","authors":"Howard Mark, Jerome Workman","doi":"10.56530/spectroscopy.jm1087r1","DOIUrl":"https://doi.org/10.56530/spectroscopy.jm1087r1","url":null,"abstract":"In this column, we examine a variation of the MLR algorithm that reduces sensitivity to repack variations in the special case that the absorbance at all wavelengths used in the calibration model undergo the same change when repacked.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134935041","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 : 2023-10-01DOI: 10.56530/spectroscopy.bc4576b9
Varun Bali, Yugal Khajuria, Neha Sharma, Sandeep Kumar, Yonghoon Lee, Pradeep K. Rai, Vivek K. Singh
{"title":"EDX and LIBS Studies on Gallstones Using Partial Least Squares Discriminant Analysis (PLS-DA)","authors":"Varun Bali, Yugal Khajuria, Neha Sharma, Sandeep Kumar, Yonghoon Lee, Pradeep K. Rai, Vivek K. Singh","doi":"10.56530/spectroscopy.bc4576b9","DOIUrl":"https://doi.org/10.56530/spectroscopy.bc4576b9","url":null,"abstract":"Gallstone formation inside the gallbladder is a serious disease and causes health problems. To create preventative measures, it is crucial to examine the composition of gallstones and identify the minerals that are responsible for their pathogenesis. In the present work, we have employed laser-induced breakdown spectroscopy (LIBS)-based elemental studies in combination with partial least squares discriminative analyses (PLS-DA). Energy dispersive X-ray spectroscopy (EDX) was also applied to quantify the elements in the different parts (core and surface) of the gallstones. Fourier transform infrared (FT-IR) spectroscopy was used to classify the gallstone samples. Spectral studies using the LIBS and EDX techniques revealed the presence of trace and toxic elements in the center part of gallstones in higher amounts than that from surface parts. The EDX study also revealed that the elemental distribution is quite heterogenous, and their distribution is random. The EDX method revealed that the center (core) part of the stone samples contained the presence of numerous heavy and toxic elements such as arsenic (As), cadmium (Cd), mercury (Hg), lead (Pb), and nickel (Ni).","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134935137","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}