Pub Date : 2023-05-01DOI: 10.56530/spectroscopy.np7466n5
B. Smith
After introducing organic nitrogen polymers in the last column, we continue this theme by studying an important family of polymers—polyaramids. In this column, we examine the spectra of polyaramids, which are polyamides that contain an aromatic ring in their chain. Included in this family is Kevlar, which is an important polymer many are familiar with. We also examine the spectra of “slip agents,” which are small molecule amides used to lubricate injection molds and are oftentimes found as contaminants in polymer products.
{"title":"Infrared Spectroscopy of Polymers XII: Polyaramids and Slip Agents","authors":"B. Smith","doi":"10.56530/spectroscopy.np7466n5","DOIUrl":"https://doi.org/10.56530/spectroscopy.np7466n5","url":null,"abstract":"After introducing organic nitrogen polymers in the last column, we continue this theme by studying an important family of polymers—polyaramids. In this column, we examine the spectra of polyaramids, which are polyamides that contain an aromatic ring in their chain. Included in this family is Kevlar, which is an important polymer many are familiar with. We also examine the spectra of “slip agents,” which are small molecule amides used to lubricate injection molds and are oftentimes found as contaminants in polymer products.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"3 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2023-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83370614","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}
Pub Date : 2023-05-01DOI: 10.56530/spectroscopy.gt8789x8
Ellen Miseo
This article presents our annual review of spectroscopy products introduced since May of 2022. Some of the products were introduced at Pittcon 2023, which was live in Philadelphia, Pennsylvania, and some were introduced prior to that. The products introduced and described here illustrate that analytical chemistry is a diverse and thriving field, and that device manufacturers respond to the changing demands of the discipline.
{"title":"2023 Review of Spectroscopic Instrumentation","authors":"Ellen Miseo","doi":"10.56530/spectroscopy.gt8789x8","DOIUrl":"https://doi.org/10.56530/spectroscopy.gt8789x8","url":null,"abstract":"This article presents our annual review of spectroscopy products introduced since May of 2022. Some of the products were introduced at Pittcon 2023, which was live in Philadelphia, Pennsylvania, and some were introduced prior to that. The products introduced and described here illustrate that analytical chemistry is a diverse and thriving field, and that device manufacturers respond to the changing demands of the discipline.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"94 17 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135096178","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}
Pub Date : 2023-05-01DOI: 10.56530/spectroscopy.kj2187f7
R. S. Pappas, N. Gray
In this two-part article, the authors take a look at the major factors affecting background contamination in inductively coupled plasma-mass spectrometry (ICP-MS), particularly when measuring ultratrace elements in specialty applications such as aerosol matrices from electronic cigarettes and electronic nicotine delivery systems (ENDS). In order to obtain meaningful data, the analyst must understand and address the magnitude and variability of environmental contamination by ubiquitous trace metals during the sample preparation procedure. The impact of these contaminants on the procedural blank and the associated impact on the accuracy and precision of sample results can unfortunately lead to false positive results.
{"title":"Contamination Control During Sample Preparation for Trace Element Analysis of Electronic Cigarette Aerosol with Inductively Coupled Plasma-Mass Spectrometry, Part 1","authors":"R. S. Pappas, N. Gray","doi":"10.56530/spectroscopy.kj2187f7","DOIUrl":"https://doi.org/10.56530/spectroscopy.kj2187f7","url":null,"abstract":"In this two-part article, the authors take a look at the major factors affecting background contamination in inductively coupled plasma-mass spectrometry (ICP-MS), particularly when measuring ultratrace elements in specialty applications such as aerosol matrices from electronic cigarettes and electronic nicotine delivery systems (ENDS). In order to obtain meaningful data, the analyst must understand and address the magnitude and variability of environmental contamination by ubiquitous trace metals during the sample preparation procedure. The impact of these contaminants on the procedural blank and the associated impact on the accuracy and precision of sample results can unfortunately lead to false positive results.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"78 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2023-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84661502","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}
Pub Date : 2023-04-01DOI: 10.56530/spectroscopy.aj6871t8
J. Chasse
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.
{"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":"10 1","pages":""},"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}
Pub Date : 2023-04-01DOI: 10.56530/spectroscopy.bn5586g1
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.
{"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":"43 1","pages":""},"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}
Pub Date : 2023-04-01DOI: 10.56530/spectroscopy.hm6969t6
R. Mcdowall
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?
{"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":"24 1","pages":""},"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}
Pub Date : 2023-04-01DOI: 10.56530/spectroscopy.ai8969n2
Yuping Liu, Yuqing Wang, Sicen Dong, Junchi Wu
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.
{"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":"56 1","pages":""},"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}
Pub 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
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.
{"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":"10 1","pages":""},"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}
Pub Date : 2023-03-01DOI: 10.56530/spectroscopy.op4571n3
Faten Farouk, R. Hathout, Ehab F Elkady
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.
{"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":"137 1","pages":""},"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}
Pub Date : 2023-03-01DOI: 10.56530/spectroscopy.vd3180b5
B. Smith
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.
{"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":"38 1","pages":""},"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}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：