Pub Date : 2022-09-01DOI: 10.56530/spectroscopy.ud4983c8
K. Neubauer
Desalination has been growing rapidly globally to meet the potable water demands in areas where access to fresh water is limited. The byproduct of desalination is a brine that has a salinity approximately two times higher than seawater and is usually discharged back to the ocean, where it can have a negative environmental impact, especially if harmful elements were picked up during the desalination process. However, this brine has recently begun to be viewed as a resource where elements of economic and industrial importance can be recovered. Both these applications rely on the accurate analysis of various elements in the brine, which can be accomplished with inductively coupled plasma–optical emission spectroscopy (ICP-OES), given its high matrix tolerance and flexibility. This work demonstrates the accurate analysis of desalination discharge brines for elements of both environmental and economic importance using ICP-OES.
{"title":"Analysis of Desalination Discharge Brines for Elements of Environmental and Economic Importance with ICP-OES","authors":"K. Neubauer","doi":"10.56530/spectroscopy.ud4983c8","DOIUrl":"https://doi.org/10.56530/spectroscopy.ud4983c8","url":null,"abstract":"Desalination has been growing rapidly globally to meet the potable water demands in areas where access to fresh water is limited. The byproduct of desalination is a brine that has a salinity approximately two times higher than seawater and is usually discharged back to the ocean, where it can have a negative environmental impact, especially if harmful elements were picked up during the desalination process. However, this brine has recently begun to be viewed as a resource where elements of economic and industrial importance can be recovered. Both these applications rely on the accurate analysis of various elements in the brine, which can be accomplished with inductively coupled plasma–optical emission spectroscopy (ICP-OES), given its high matrix tolerance and flexibility. This work demonstrates the accurate analysis of desalination discharge brines for elements of both environmental and economic importance using ICP-OES.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"25 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81565939","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 : 2022-09-01DOI: 10.56530/spectroscopy.yc5673v9
Sukanya Sengupta, Bhagyesh Surekar, D. Kutscher, Simon Nelms
The continuous development of lithium-ion battery technology is a key step in moving away from the combustion of fossil fuels at point of use. Lithium-based batteries are the most promising alternative because they combine high capacity and good cycle stability while being moderately inexpensive. To achieve the intended performance and test for purity of the raw materials used, including cathode materials (like binary or ternary alloys containing lithium, cobalt, manganese and nickel) and electrolytes (lithium hexafluorophosphate) is highly important. For analyzing trace elements at the required levels, techniques based on inductively coupled plasmas (ICP) are the ideal choice, especially ICP–optical emission spectroscopy (ICP-OES) and also increasingly ICP–mass spectrometry (ICP-MS).
{"title":"Analysis of Trace Elements as Impurities in Materials Used for Lithium-Ion Battery Production","authors":"Sukanya Sengupta, Bhagyesh Surekar, D. Kutscher, Simon Nelms","doi":"10.56530/spectroscopy.yc5673v9","DOIUrl":"https://doi.org/10.56530/spectroscopy.yc5673v9","url":null,"abstract":"The continuous development of lithium-ion battery technology is a key step in moving away from the combustion of fossil fuels at point of use. Lithium-based batteries are the most promising alternative because they combine high capacity and good cycle stability while being moderately inexpensive. To achieve the intended performance and test for purity of the raw materials used, including cathode materials (like binary or ternary alloys containing lithium, cobalt, manganese and nickel) and electrolytes (lithium hexafluorophosphate) is highly important. For analyzing trace elements at the required levels, techniques based on inductively coupled plasmas (ICP) are the ideal choice, especially ICP–optical emission spectroscopy (ICP-OES) and also increasingly ICP–mass spectrometry (ICP-MS).","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"26 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89484005","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 : 2022-09-01DOI: 10.56530/spectroscopy.ph3377i7
T. Sakai, E. Mccurdy
Inductively coupled plasma–mass spectrometry (ICP-MS) is a technique increasingly being used in commercial laboratories and industries that analyze samples with complex matrices, such as seawater, wastewater, saline groundwater, and other high salt samples. These laboratories often choose ICP-MS for its fast, multielement capability and high sample throughput, but time and cost pressures mean that laboratories have little time for sample preparation and method development. The time and cost pressures can lead to performance and operational issues because an ICP-MS instrument optimized for the highest sensitivity may not have the sufficient matrix tolerance to analyze high salt samples. In this article, we describe a method to optimize plasma robustness and interference control that enables a modern ICP-MS to perform simple, accurate, and routine analysis of critical trace elements in undiluted seawater.
{"title":"ICP-MS Configuration and Optimization for Successful Routine Analysis of Undiluted Seawater","authors":"T. Sakai, E. Mccurdy","doi":"10.56530/spectroscopy.ph3377i7","DOIUrl":"https://doi.org/10.56530/spectroscopy.ph3377i7","url":null,"abstract":"Inductively coupled plasma–mass spectrometry (ICP-MS) is a technique increasingly being used in commercial laboratories and industries that analyze samples with complex matrices, such as seawater, wastewater, saline groundwater, and other high salt samples. These laboratories often choose ICP-MS for its fast, multielement capability and high sample throughput, but time and cost pressures mean that laboratories have little time for sample preparation and method development. The time and cost pressures can lead to performance and operational issues because an ICP-MS instrument optimized for the highest sensitivity may not have the sufficient matrix tolerance to analyze high salt samples. In this article, we describe a method to optimize plasma robustness and interference control that enables a modern ICP-MS to perform simple, accurate, and routine analysis of critical trace elements in undiluted seawater.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"33 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77518155","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 : 2022-09-01DOI: 10.56530/spectroscopy.oc2988c1
Jerry Workman
This year’s molecular spectroscopy award recipient is Lu Wei, an assistant professor of chemistry at the California Institute of Technology in Pasadena, California. From her days as a graduate student at Columbia University, Wei’s work has focused on the development and application of stimulated Raman scattering (SRS) microscopy for bioanalysis, spectroscopy-informed design of vibrational imaging probes, and sample-engineering strategies.
{"title":"The 2022 Emerging Leader in Molecular Spectroscopy Award","authors":"Jerry Workman","doi":"10.56530/spectroscopy.oc2988c1","DOIUrl":"https://doi.org/10.56530/spectroscopy.oc2988c1","url":null,"abstract":"This year’s molecular spectroscopy award recipient is Lu Wei, an assistant professor of chemistry at the California Institute of Technology in Pasadena, California. From her days as a graduate student at Columbia University, Wei’s work has focused on the development and application of stimulated Raman scattering (SRS) microscopy for bioanalysis, spectroscopy-informed design of vibrational imaging probes, and sample-engineering strategies.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"177 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77659189","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 : 2022-08-01DOI: 10.56530/spectroscopy.tz9280y5
B. Smith
We continue our survey of the infrared (IR) spectra of polymers with a look at the spectra of polymers that contain carbonyl or C=O bonds. Our long-term goal is to examine the spectra of polymers that contain ketone, carboxylic acid, ester, and carbonate linkages. Studying these spectra is vital, because these molecules are important economically and are ubiquitous in society.
{"title":"The Infrared Spectra of Polymers, VII: Polymers with Carbonyl (C=O) Bonds","authors":"B. Smith","doi":"10.56530/spectroscopy.tz9280y5","DOIUrl":"https://doi.org/10.56530/spectroscopy.tz9280y5","url":null,"abstract":"We continue our survey of the infrared (IR) spectra of polymers with a look at the spectra of polymers that contain carbonyl or C=O bonds. Our long-term goal is to examine the spectra of polymers that contain ketone, carboxylic acid, ester, and carbonate linkages. Studying these spectra is vital, because these molecules are important economically and are ubiquitous in society.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"23 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90427972","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 : 2022-08-01DOI: 10.56530/spectroscopy.dt1779u1
W. R. Algar
Förster resonance energy transfer (FRET) is a versatile part of the toolbox of fluorescence methods. This through-space, photon-less energy transfer process between a donor fluorophore and an acceptor chromophore is perhaps most famous for its utility as a “molecular ruler” that can resolve nanometer-scale distances. FRET is also a popular and advantageous basis for biomolecular assays and sensors.
{"title":"Key Steps to Follow in a FRET Experiment","authors":"W. R. Algar","doi":"10.56530/spectroscopy.dt1779u1","DOIUrl":"https://doi.org/10.56530/spectroscopy.dt1779u1","url":null,"abstract":"Förster resonance energy transfer (FRET) is a versatile part of the toolbox of fluorescence methods. This through-space, photon-less energy transfer process between a donor fluorophore and an acceptor chromophore is perhaps most famous for its utility as a “molecular ruler” that can resolve nanometer-scale distances. FRET is also a popular and advantageous basis for biomolecular assays and sensors.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"95 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80682684","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 : 2022-08-01DOI: 10.56530/spectroscopy.hp2985q1
Ruonan Zeng, Yujing Bian, Xun Zhang, Zhenqi Zhu, Bin Yang
Terahertz (THz) resonance absorption originates from intermolecular interactions, which are suitable for identifying amino acids with multiple isomers. L-threonine and L-allo-threonine are diastereomers with two characteristic peaks in the effective spectrum range of 1.0–2.3 THz, which are located at 1.42 and 2.14 THz for L-threonine (L-thr) and 1.63 and 2.16 THz for L-allo-threonine (L-allo-thr). Based on the density functional theory (DFT) of the crystal structures of L-thr and L-allo-thr, the vibration frequencies of 1.56, 1.87, 2.16 THz, and 2.22 THz were obtained, corresponding to the THz characteristic peaks. Through vibration model analysis, it was found that lattice and skeleton vibrations mediated by intermolecular hydrogen bonds play a crucial role in the THz response. Studying the experimental absorption spectra of different proportions co-crystallized mixtures and 1:1 physical mixture of L-thr and L-allo-thr, it was found that the characteristic peaks of the physical mixture include the characteristic peaks of the two diastereomers in the THz band, while amino-acid co-crystallized mixtures formed their own characteristic peaks depending on the proportion. The results show that the co-crystallized mixture composition of diastereomers can be quantitatively analyzed by THz time-domain spectroscopy (THz-TDS).
{"title":"Terahertz Spectroscopic Analysis of Co-Crystallized Mixtures in an L-threonine Diastereomer System","authors":"Ruonan Zeng, Yujing Bian, Xun Zhang, Zhenqi Zhu, Bin Yang","doi":"10.56530/spectroscopy.hp2985q1","DOIUrl":"https://doi.org/10.56530/spectroscopy.hp2985q1","url":null,"abstract":"Terahertz (THz) resonance absorption originates from intermolecular interactions, which are suitable for identifying amino acids with multiple isomers. L-threonine and L-allo-threonine are diastereomers with two characteristic peaks in the effective spectrum range of 1.0–2.3 THz, which are located at 1.42 and 2.14 THz for L-threonine (L-thr) and 1.63 and 2.16 THz for L-allo-threonine (L-allo-thr). Based on the density functional theory (DFT) of the crystal structures of L-thr and L-allo-thr, the vibration frequencies of 1.56, 1.87, 2.16 THz, and 2.22 THz were obtained, corresponding to the THz characteristic peaks. Through vibration model analysis, it was found that lattice and skeleton vibrations mediated by intermolecular hydrogen bonds play a crucial role in the THz response. Studying the experimental absorption spectra of different proportions co-crystallized mixtures and 1:1 physical mixture of L-thr and L-allo-thr, it was found that the characteristic peaks of the physical mixture include the characteristic peaks of the two diastereomers in the THz band, while amino-acid co-crystallized mixtures formed their own characteristic peaks depending on the proportion. The results show that the co-crystallized mixture composition of diastereomers can be quantitatively analyzed by THz time-domain spectroscopy (THz-TDS).","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"23 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84989073","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 : 2022-08-01DOI: 10.56530/spectroscopy.mz7490j2
Yongbo Yu, Houfei Shang, Z. Du, N. Gao, Jinyi Li, Zhaozong Meng, Zonghua Zhang
Because infrared (IR) absorption spectroscopy technology can offer high sensitivity and strong anti-interference capabilities, it is widely used in gas detection. To solve the problem of spectrum line aliasing in gas detection, this study examined the application of IR absorption spectroscopy technology based on time-frequency analysis in component identification. The second derivative spectrum of the IR absorption spectroscopy was processed by continuous wavelet transform to obtain the time-frequency characteristic matrix. The appropriate scale range was selected through the variance of wavelet coefficients. The correlation analysis of time and frequency on the time-frequency characteristic matrix was used for component identification. The experimental results showed that the correlation analysis of the time dimension can extract the characteristic absorption position of the gas to be measured in the gas mixture. The frequency correlation analysis at the characteristic absorption position can improve the recognition accuracy compared with the frequency correlation analysis in the entire spectral interval. The research in this article provides new ideas for the quantitative detection of gases.
{"title":"Specific Recognition Technology of Infrared Absorption Spectra Based on Continuous Wavelet Decomposition","authors":"Yongbo Yu, Houfei Shang, Z. Du, N. Gao, Jinyi Li, Zhaozong Meng, Zonghua Zhang","doi":"10.56530/spectroscopy.mz7490j2","DOIUrl":"https://doi.org/10.56530/spectroscopy.mz7490j2","url":null,"abstract":"Because infrared (IR) absorption spectroscopy technology can offer high sensitivity and strong anti-interference capabilities, it is widely used in gas detection. To solve the problem of spectrum line aliasing in gas detection, this study examined the application of IR absorption spectroscopy technology based on time-frequency analysis in component identification. The second derivative spectrum of the IR absorption spectroscopy was processed by continuous wavelet transform to obtain the time-frequency characteristic matrix. The appropriate scale range was selected through the variance of wavelet coefficients. The correlation analysis of time and frequency on the time-frequency characteristic matrix was used for component identification. The experimental results showed that the correlation analysis of the time dimension can extract the characteristic absorption position of the gas to be measured in the gas mixture. The frequency correlation analysis at the characteristic absorption position can improve the recognition accuracy compared with the frequency correlation analysis in the entire spectral interval. The research in this article provides new ideas for the quantitative detection of gases.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"43 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82523446","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 : 2022-08-01DOI: 10.56530/spectroscopy.vv1589e7
Bert Woods, E. Mccurdy
Inductively coupled plasma mass spectrometry (ICP-MS) instruments can perform low-level elemental analysis in a wide range of sample types, from high-purity chemicals to high matrix digests. But achieving consistently low detection limits requires good control of elemental contamination, as well as spectral interferences. A clean working area, careful selection of reagents, and good sample handling techniques are key to successful trace and ultratrace elemental analysis. In this article, we provide five practical tips for controlling contaminants and minimizing detection limits.
{"title":"ICP-MS: Key Steps to Control Contamination and Achieve Low Detection Limits","authors":"Bert Woods, E. Mccurdy","doi":"10.56530/spectroscopy.vv1589e7","DOIUrl":"https://doi.org/10.56530/spectroscopy.vv1589e7","url":null,"abstract":"Inductively coupled plasma mass spectrometry (ICP-MS) instruments can perform low-level elemental analysis in a wide range of sample types, from high-purity chemicals to high matrix digests. But achieving consistently low detection limits requires good control of elemental contamination, as well as spectral interferences. A clean working area, careful selection of reagents, and good sample handling techniques are key to successful trace and ultratrace elemental analysis. In this article, we provide five practical tips for controlling contaminants and minimizing detection limits.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"25 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83068018","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 : 2022-08-01DOI: 10.56530/spectroscopy.ew5383i7
D. Guenther
Spectroscopy offers a range of available techniques that can be differentiated by the use or omission of reference spectra. This differentiation means that techniques such as Raman or fluorescence typically look at raw intensity outputs, whereas techniques such as transmission or reflectance require some reference scan to calculate those relative outputs. Within the group of referenced spectral techniques, absorbance is easily one of the most common and offers much value because of the concentration dependence of Beer’s Law. However, this value is only properly captured when system components and samples are made to be repeatable, both for the reference scans and live acquisitions. This article discusses several useful techniques to establish this repeatability, including proper cuvette and probe handling, component setup, and sample considerations. By optimizing repeatability of the measurement system, the observed concentration values calculated from absorbance outputs are much more accurate and relevant to the sample being measured.
{"title":"Valuable Techniques for Repeatable Absorbance Measurements","authors":"D. Guenther","doi":"10.56530/spectroscopy.ew5383i7","DOIUrl":"https://doi.org/10.56530/spectroscopy.ew5383i7","url":null,"abstract":"Spectroscopy offers a range of available techniques that can be differentiated by the use or omission of reference spectra. This differentiation means that techniques such as Raman or fluorescence typically look at raw intensity outputs, whereas techniques such as transmission or reflectance require some reference scan to calculate those relative outputs. Within the group of referenced spectral techniques, absorbance is easily one of the most common and offers much value because of the concentration dependence of Beer’s Law. However, this value is only properly captured when system components and samples are made to be repeatable, both for the reference scans and live acquisitions. This article discusses several useful techniques to establish this repeatability, including proper cuvette and probe handling, component setup, and sample considerations. By optimizing repeatability of the measurement system, the observed concentration values calculated from absorbance outputs are much more accurate and relevant to the sample being measured.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"35 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85144892","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}
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