SpectroscopyPub Date : 2023-04-01DOI: 10.56530/spectroscopy.aj6871t8
J. Chasse
{"title":"Clay and Soil Organic Matter Drive Wood Multi-Elemental Composition of a Tropical Tree Species: Implications for Timber Tracing","authors":"J. Chasse","doi":"10.56530/spectroscopy.aj6871t8","DOIUrl":"https://doi.org/10.56530/spectroscopy.aj6871t8","url":null,"abstract":"Although tracing product origin by the analysis of their multi-element composition has been successfully applied in several commodities, the potential for doing the same with timber has not yet been determined. Laura Boeschoten and her team studied the reactive soil element pools and the multi-elemental composition in sapwood and heartwood for 37 Azobé (Lophira alata) trees at two forest sites in Cameroon, measuring 46 elements using inductively coupled plasma mass spectrometry (ICP-MS), and conducted the first study relating wood multi-elemental composition of forest trees to soil chemical and physical properties in an effort to combat the illegal trade of timber. Laura spoke to Spectroscopy about this study and the technique’s potential.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77021205","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 : 2023-04-01DOI: 10.56530/spectroscopy.bn5586g1
{"title":"Fiber-Optic Bundles Create a World of Pure Imagination","authors":"","doi":"10.56530/spectroscopy.bn5586g1","DOIUrl":"https://doi.org/10.56530/spectroscopy.bn5586g1","url":null,"abstract":"Fiber optics have undoubtedly changed the world of spectroscopy and communications, existing as a foundation for countless platforms we encounter and work with each day. The use of multiple fibers in a bundle further expands these capabilities in several ways, some of which are obvious, and others that are more concealed and clever. Starting as a Central Intelligence Agency (CIA) encoding project under the guise of “gastroscope development,” fiber-optic bundles have evolved into many uses across industries. In this column, we explore this intriguing history and where it has led to, including the use of modern processing techniques that allow three-dimensional (3D) interpretations of traditionally two-dimensional (2D) readings.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81518569","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 : 2023-04-01DOI: 10.56530/spectroscopy.hm6969t6
R. Mcdowall
{"title":"CSA: Much Ado About Nothing?","authors":"R. Mcdowall","doi":"10.56530/spectroscopy.hm6969t6","DOIUrl":"https://doi.org/10.56530/spectroscopy.hm6969t6","url":null,"abstract":"Computerized system validation (CSV) in good practice (GxP)-regulated laboratories is alleged to take ages and generate piles of paper to keep inspectors and auditors quiet. To the rescue is the draft FDA guidance on computer software assurance (CSA). But...is this really the case?","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83522216","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 : 2023-04-01DOI: 10.56530/spectroscopy.ai8969n2
Yuping Liu, Yuqing Wang, Sicen Dong, Junchi Wu
{"title":"Prediction of the Size-Dependent Raman Shift of Semiconductor Nanomaterials via Deep Learning","authors":"Yuping Liu, Yuqing Wang, Sicen Dong, Junchi Wu","doi":"10.56530/spectroscopy.ai8969n2","DOIUrl":"https://doi.org/10.56530/spectroscopy.ai8969n2","url":null,"abstract":"Raman spectroscopy can characterize size-related properties of semiconductor nanomaterials according to the change of Raman shift. When limited to physical mechanisms, it is often difficult to predict the size-dependent Raman shift of semiconductor nanomaterials. To predict the size-dependent Raman shift more accurately and efficiently, a simple and effective method was created, demonstrated, and achieved via the deep learning model. The deep learning model is implemented by multi-layer perceptron. For size-dependent Raman shifts of three common semiconductor nanomaterials (InP, Si, CeO2), the prediction error was 1.47%, 1.18%, and 0.58%, respectively. The research has practical value in material characterization and related engineering applications, where physical mechanisms are not the focus and building predictive models quickly is key.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74054024","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 : 2023-04-01DOI: 10.56530/spectroscopy.rs8584b2
Zongkai Li, Bing Chen, H. Fan, C. Fei, J. Su, Yang-yang Li, Ningning Liu, Hongliang Zhou, Lijuan Zhang, Kai Wang
{"title":"Study on Estimating Total Nitrogen Content in Sugar Beet Leaves Under Drip Irrigation Based on Vis-NIR Hyperspectral Data and Chlorophyll Content","authors":"Zongkai Li, Bing Chen, H. Fan, C. Fei, J. Su, Yang-yang Li, Ningning Liu, Hongliang Zhou, Lijuan Zhang, Kai Wang","doi":"10.56530/spectroscopy.rs8584b2","DOIUrl":"https://doi.org/10.56530/spectroscopy.rs8584b2","url":null,"abstract":"The relationship between the leaf nitrogen content (LNC) and hyperspectral remote sensing imagery (HYP) was determined to construct an estimation model of the LNC of drip-irrigated sugar beets, aiming to provide supports for the in-time monitoring of sugar beet growth and nitrogen management in arid areas. In this study, a field hyperspectrometer was used to collect the leaf reflectance at the 350–2500 nm for each treatment on the 65th, 85th, 104th, 124th, and 140th day after emergence, and the LNC and leaf chlorophyll content (CHL) of sugar beets were also determined. The spectral characteristic parameters were selected to construct the vegetation indices. The LNC estimation model using HYP as the independent variable (HYP-LNC), and that using CHL and HYP as the independent variables (HYP-CHL-LNC), were compared. The results shows that the HYP-CHL-LNC models had a better linear relationship and a higher fitting accuracy than the HYP-LNC models.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84088948","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 : 2023-03-01DOI: 10.56530/spectroscopy.vd3180b5
B. Smith
{"title":"Infrared Spectroscopy of Polymers, XI: Introduction to Organic Nitrogen Polymers","authors":"B. Smith","doi":"10.56530/spectroscopy.vd3180b5","DOIUrl":"https://doi.org/10.56530/spectroscopy.vd3180b5","url":null,"abstract":"Until now, our discussion of polymers has been limited to functional groups containing carbon, hydrogen, and oxygen. In this column, we begin covering polymers that have functional groups containing nitrogen as well. We review the structures and bonding characteristics of the nitrogen atom, and then begin our examination of the spectra of organic nitrogen polymers with a very important class of polymers: polyamides.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72809005","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 : 2023-03-01DOI: 10.56530/spectroscopy.op4571n3
Faten Farouk, R. Hathout, Ehab F Elkady
{"title":"Resolving Analytical Challenges in Pharmaceutical Process Monitoring Using Multivariate Analysis Methods: Applications in Process Understanding, Control, and Improvement","authors":"Faten Farouk, R. Hathout, Ehab F Elkady","doi":"10.56530/spectroscopy.op4571n3","DOIUrl":"https://doi.org/10.56530/spectroscopy.op4571n3","url":null,"abstract":"Multivariate analysis (MVA) refers to an assortment of statistical tools developed to handle situations in which more than one variable is involved. MVA is indispensable for data interpretation and for extraction of meaningful data, especially from fast acquisition instruments and spectral imaging techniques. This article reviews trends in the application of MVA to pharmaceutical manufacturing and control. The MVA models most commonly used in drug analysis are compared. The potential of MVA to resolve analytical challenges, such as overcoming matrix effects, extracting reliable data from dynamic matrices, clustering data into meaningful groups, removing noise from analytical response, resolving spectral overlaps, and providing simultaneous analysis of multiple components, are tackled with examples. Industrial applications of MVA capabilities are described, with special emphasis on process analytical technology (PAT) and how MVA can aid in process understanding and control. A scheme for selecting an MVA model according to the available data and the required information is proposed.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75921786","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":"Efficient Discrimination of Some Moss Species by Fourier Transform Infrared Spectroscopy and Chemometrics","authors":"Zhen Cao, Zhenjie Wang, De Gao, Yongying Liu, Dongmei Xu, Peng Xu","doi":"10.56530/spectroscopy.bc8073t9","DOIUrl":"https://doi.org/10.56530/spectroscopy.bc8073t9","url":null,"abstract":"Fourier-transform infrared (FT-IR) spectroscopy with the attenuated total reflectance (ATR) technique was used to classify 14 samples (11 species) from three moss families (Mielichhoferiaceae, Bryaceae, and Mniaceae). The FT-IR spectra ranging from 4000 cm−1 to 650 cm−1 of the 14 samples were obtained. To group the spectra according to their spectral similarity in a dendrogram, cluster analysis and principal component analysis (PCA) were performed. Cluster analysis combined with PCA was used to give a rough result of classification among the moss samples. However, some species belonging to the same genus exhibited very similar chemical components and similar FT-IR spectra. Discrete wavelet transform (DWT) was used to enhance the differences among species with similar chemical components and FT-IR spectra. Three scales were selected as the feature-extracting space in the DWT domain. Results showed that FT-IR spectroscopy combined with chemometrics was suitable for a systematic research classification of bryophytes.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136246469","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 : 2023-03-01DOI: 10.56530/spectroscopy.uk4971l2
Edmond Biba, H. Pappa
{"title":"Spectroscopy and Spectroscopic Analytical Techniques in the United States Pharmacopeia–National Formulary (USP–NF)","authors":"Edmond Biba, H. Pappa","doi":"10.56530/spectroscopy.uk4971l2","DOIUrl":"https://doi.org/10.56530/spectroscopy.uk4971l2","url":null,"abstract":"The U.S. Pharmacopeia (USP) is a non-profit scientific organization whose mission is to improve global public health through public standards and related programs that ensure the quality, safety and benefits of medicines and foods. Vibrational spectroscopy is an analytical tool that is used in the United States Pharmacopeia and National Formulary (USP–NF) and has been since the 1950s. We explain the organization of the documentation within the USP–NF and how vibrational spectroscopy plays an important role in this regulatory document collection.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81702334","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 : 2023-03-01DOI: 10.56530/spectroscopy.it6969c6
J. Chasse
{"title":"Coherent Anti-Stokes Raman Scattering Cell Imaging and Segmentation with Unsupervised Data Analysis","authors":"J. Chasse","doi":"10.56530/spectroscopy.it6969c6","DOIUrl":"https://doi.org/10.56530/spectroscopy.it6969c6","url":null,"abstract":"Offering the high spectral resolution of conventional Raman spectroscopy combined with reduced acquisition time, multiplex coherent anti-Stokes Raman scattering (MCARS) microspectroscopy using sub-nanosecond laser pulses has been accepted as a mature and straightforward technology for label-free bioimaging. In a recently published paper, Philippe Leproux and associates have introduced the combination of the MCARS imaging technique with unsupervised data analysis based on multivariate curve resolution (MCR). Leproux spoke to Spectroscopy about combining the techniques, as well as discussing the potential of the results.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84576928","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}