SpectroscopyPub Date : 2022-11-01DOI: 10.56530/spectroscopy.yd5989g6
F. Ou, A. van Klinken, K. Hakkel, M. Petruzzella, Don M. J. van Elst, P. Sevo, Chenhui Li, F. Pagliano, R. V. van Veldhoven, A. Fiore
{"title":"Spectral Sensing Using a Handheld NIR Module Based on a Fully Integrated Sensor Chip","authors":"F. Ou, A. van Klinken, K. Hakkel, M. Petruzzella, Don M. J. van Elst, P. Sevo, Chenhui Li, F. Pagliano, R. V. van Veldhoven, A. Fiore","doi":"10.56530/spectroscopy.yd5989g6","DOIUrl":"https://doi.org/10.56530/spectroscopy.yd5989g6","url":null,"abstract":"Near-infrared (NIR) spectroscopy is widely used for the classification of materials and the quantification of their properties. Today, there is a high demand for extending the use of this technique to portable applications, and eventually, the integration with consumer appliances and smartphones. To reach this goal, the overall size of the NIR sensor, its production cost, robustness, and resistance to vibrations are of particular importance. This paper describes an approach to spectral sensing in the NIR (850–1700 nm) using a handheld sensor module based on a fully integrated multipixel detector array with a footprint of around 2×2 mm2. The capabilities of the spectral sensor module were recently evaluated in two application cases: Quantification of the fat percentage in raw milk and the classification of plastic types. Fat quantification was achieved with a root mean square error (RMSE) of prediction of 0.14% and classification of plastic types was achieved with a prediction accuracy on unknown samples of 100%. The results demonstrate the feasibility of the direct NIR sensing approach used by the integrated sensor, which has potential to be used in a variety of applications.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"20 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88056539","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 : 2022-11-01DOI: 10.56530/spectroscopy.cs9787u9
Megan Wilson, D. Al-Jumeily, J. Birkett, Iftikhar Khan, Ismail Abbas, S. Assi
{"title":"Using Handheld Raman Spectroscopy Equipped with Orbital Raster Technology for Field Detection of Cocaine and its Impurities in Fingernails","authors":"Megan Wilson, D. Al-Jumeily, J. Birkett, Iftikhar Khan, Ismail Abbas, S. Assi","doi":"10.56530/spectroscopy.cs9787u9","DOIUrl":"https://doi.org/10.56530/spectroscopy.cs9787u9","url":null,"abstract":"Fingernails can accumulate drugs as a result of chronic exposure. This work employed Raman spectroscopy for detecting cocaine hydrochloride (HCl) and its impurities within fingernails, utilizing orbital raster scanning (ORS) technology, where the laser beam hits multiple positions within the sample. Doing so maintained sensitivity and ensured that more of each sample’s components were represented. Fingernails were spiked with powder and solution forms of cocaine HCl and its impurities, including benzocaine HCl, levamisole HCl, lidocaine HCl, and procaine HCl. The strong Raman scattering observed for these substances indicated a high drug accumulation in the fingernails. Key cocaine HCl bands were seen at 848, 874, and 898 cm-1 (C-C stretching-tropane ring), 1004 cm-1 (symmetric stretching-aromatic ring), 1278 cm-1 (C-N stretching), 1453 cm-1 (asymmetric CH3 deformation), and 1605 and 1712 cm-1 (C=C and C=O stretching). Principal components analysis (PCA) confirmed that 90% (nails spiked with drug powders) and 77.2% (nails spiked with drug solutions) were accounted for in the variance among the data. The findings showed that Raman spectroscopy identified the presence of cocaine HCl and its impurities within fingernails.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"4 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86943382","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 : 2022-11-01DOI: 10.56530/spectroscopy.va1382h7
Ziniu Zhao, Hui Yan, H. Siesler
{"title":"Rapid Determination of the Peroxide Value of Edible Oil by Handheld NIR Spectroscopy in Combination with Wavelength Variables Selection and PLS Calibration","authors":"Ziniu Zhao, Hui Yan, H. Siesler","doi":"10.56530/spectroscopy.va1382h7","DOIUrl":"https://doi.org/10.56530/spectroscopy.va1382h7","url":null,"abstract":"Detecting the peroxide value (PV) in oil is significant for people in everyday life, especially as a fast, convenient, and on-site method. To tackle this challenge, the near-infrared (NIR) spectra of oil were collected by a Viavi MicroNIR 1700 handheld NIR spectrometer and a liquid sample transmission accessory. Subsequently to the spectral pretreatment method of standard normal variate (SNV), the sensitive wavelength variables were optimized by the algorithms of competitive adaptive reweighted sampling (CARS), genetic algorithms (GA), and random frog (RF). The results showed that CARS was the best, and the selected variables were used to build the partial least squares (PLS) regression model. The root mean square error (RMSE) values for cross-validation (RMSECV) and prediction (RMSEP) were 0.984 mmol/ kg and 0.950 mmol/kg, respectively, and the corresponding R2cv and R2P were 0.875, and 0.867, respectively. Therefore, the PV of edible oil can be determined easily and quickly with a handheld NIR spectrometer.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"44 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85365635","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 : 2022-11-01DOI: 10.56530/spectroscopy.qz5173x6
S. Schill, R. S. McEwan, R. Moffet, J. Marrero, C. Macdonald, E. Winegar
{"title":"Real-World Application of Open-Path UV-DOAS, TDL, and FT-IR Spectroscopy for Air Quality Monitoring at Industrial Facilities","authors":"S. Schill, R. S. McEwan, R. Moffet, J. Marrero, C. Macdonald, E. Winegar","doi":"10.56530/spectroscopy.qz5173x6","DOIUrl":"https://doi.org/10.56530/spectroscopy.qz5173x6","url":null,"abstract":"Open-path spectroscopy is known for its ability to provide real-time measurements of dozens of compounds over sampling paths of up to 1000 meters in length. Advances in open-path monitoring technology and data processing techniques, coupled with new regulatory requirements, have greatly increased the acceptance and widespread application of spectroscopy-based open-path measurements. Large industrial facilities adjacent to residential communities are a particular application of interest, because traditional fixed-point analyzers lack the spatial coverage of the open-path instruments. This work discusses technical and practical considerations for the installation and operation of more than 120 open-path analyzers that are currently providing continuous data at several oil refineries in California. Open-path analyzers include ultraviolet differential optical absorbance spectroscopy (UV-DOAS), Fourier transform infrared (FT-IR), and tunable diode laser (TDL) technologies. We will discuss lessons learned from these projects, including fundamental approaches to compound identification, target species detectability, interferences, and data management.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"41 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78123730","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 : 2022-11-01DOI: 10.56530/spectroscopy.sh9983a2
M. Jackson, Douglas J Perrelli, Jacob T. Shelley, M. K. Donais
{"title":"An Archaeometric Investigation into the Former Cataract House Hotel via Elemental Analysis","authors":"M. Jackson, Douglas J Perrelli, Jacob T. Shelley, M. K. Donais","doi":"10.56530/spectroscopy.sh9983a2","DOIUrl":"https://doi.org/10.56530/spectroscopy.sh9983a2","url":null,"abstract":"Over the course of the 19th century, the former Cataract House Hotel of Niagara Falls, New York, became one of the largest hotels in the region while also serving as an important “station” on the Underground Railroad. A park now occupies the area covering its demolished ruins. Since 2017, archaeological excavations of the site have taken place, led by the Anthropology Department at SUNY Buffalo. Although much is known about the overall design of the Cataract House Hotel, a clearer understanding of its construction phases, as well as its role in the Underground Railroad, could be determined from spectroscopic analysis in tandem with ongoing archaeological investigations. In 2022, in situ data collection was performed on plaster walls at the excavation site using a portable X-ray fluorescence (pXRF) instrument. These elemental data were used in conjunction with archaeological information to form conclusions regarding different construction phases of the hotel. Samples of plaster walls were also collected for further ex situ analyses with pXRF and portable laser-induced breakdown spectroscopy (pLIBS) in a laboratory setting. Future work will include data collection and analysis by additional spectroscopic methods of other artifacts collected at the site, such as pigment samples removed from an unearthed stone step.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"39 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75096105","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 : 2022-10-01DOI: 10.56530/spectroscopy.ta9383e3
B. Smith
{"title":"Infrared Spectroscopy of Polymers, VIII: Polyesters and the Rule of Three","authors":"B. Smith","doi":"10.56530/spectroscopy.ta9383e3","DOIUrl":"https://doi.org/10.56530/spectroscopy.ta9383e3","url":null,"abstract":"In the last column, we reviewed the spectroscopy of the carbonyl group and that of ketones. We then analyzed our first C=O containing polymer. In this column, we continue to study C=O containing polymers by first reviewing the spectroscopy of the ester functional group and then analyzing the spectra of several important polyesters. Among the spectra we study is that of polyethylene terephthalate (PET), one of the most economically important polymers in the world.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"13 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75493993","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 : 2022-10-01DOI: 10.56530/spectroscopy.mm1179p4
H. Mark, Jerry Workman
{"title":"Decimal Versus Binary Representation of Numbers in Computers","authors":"H. Mark, Jerry Workman","doi":"10.56530/spectroscopy.mm1179p4","DOIUrl":"https://doi.org/10.56530/spectroscopy.mm1179p4","url":null,"abstract":"The dichotomy created by the advent of computers and brought up by the title of this column was a major quandary in the early days of the computer revolution, causing major controversy in both the academic and commercial communities involved in the development of modern computer architectures. Even though the controversy was eventually decided (in favor of binary representation; all commercially available computers use a binary internal architecture), echoes of that controversy still affect computer usage today by creating errors when data is transferred between computers, especially in the chemometric world. A close examination of the consequences reveals a previously unexpected error source.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"58 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81122814","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 : 2022-10-01DOI: 10.56530/spectroscopy.gq3466f4
Wang Zhao-qun, S. Li, Han Feng, Zhang Xin, Li Hai-su, Su Bi-quan
{"title":"Kinetic Fluorimetric Determination of Formaldehyde by Oxidation of Rhodamine B with Potassium Bromate","authors":"Wang Zhao-qun, S. Li, Han Feng, Zhang Xin, Li Hai-su, Su Bi-quan","doi":"10.56530/spectroscopy.gq3466f4","DOIUrl":"https://doi.org/10.56530/spectroscopy.gq3466f4","url":null,"abstract":"Based on the H2SO4-Rhodamine B-KBrO3 system, the kinetic fluorescence method was used to determine formaldehyde. The experimental results show that in the sulfuric acid medium, the fading process of oxidized rhodamine B by potassium bromate is inhibited by the catalytic action of formaldehyde. The results showed that the formaldehyde concentration in the range of 0.4 to 4.4 μmol/L had a good linear relationship with lg (IF/I0F) = 0.01385 c (μmol/L) + 0.02353, the correlation coefficient was 0.9974, and the method detection limit was 0.3027 μmol/L. In the determination of formaldehyde in the synthetical water sample and laundry water, the recoveries were 98.68% and 103.20%. The results were consistent with the certified value.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"16 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83788715","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 : 2022-10-01DOI: 10.56530/spectroscopy.zv7982s5
Liyan Xing
{"title":"Determination of Toxic Elements in Food by ICP-MS Using AOAC Method 2015.01","authors":"Liyan Xing","doi":"10.56530/spectroscopy.zv7982s5","DOIUrl":"https://doi.org/10.56530/spectroscopy.zv7982s5","url":null,"abstract":"Trace elements can be taken up by crops and animals from the air, water, soil, and food during growth, or introduced during food processing. Although some of these elements are essential macronutrients, others are toxic. Through food consumption, humans are exposed to toxic elements with the risk increasing proportionately to the amount consumed, which can have neurological-, endocrine-, and exocrine-disrupting properties, as well as being potentially genotoxic or carcinogenic. As a result, the contamination of food and water by toxic elements is of great concern because concentrations can be present at trace to ultra-trace levels, requiring sensitive and reliable analytical techniques for accurate measurement. Inductively coupled plasma mass spectrometry (ICP-MS) is a powerful elemental analysis technique with multi-element detection capabilities, low detection limits, high speed of analysis, and wide linear dynamic range. However, it is also susceptible to interfering species, leading to the formation of polyatomic and doubly charged ions. Here, we evaluate the performance characteristics of ICP-MS to carry out the validation procedures and QC requirements defined in AOAC Method 2015.01.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"71 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79996645","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 : 2022-09-01DOI: 10.56530/spectroscopy.he8774f8
T. Tague, G. Hall, Nigel Kelly
{"title":"A Different Kind of Art Analysis","authors":"T. Tague, G. Hall, Nigel Kelly","doi":"10.56530/spectroscopy.he8774f8","DOIUrl":"https://doi.org/10.56530/spectroscopy.he8774f8","url":null,"abstract":"Using Raman spectroscopy and X-ray fluorescence (XRF) to examine the paint on the floor of Jackson Pollock’s studio reveals a list of pigments—published here for the first time—that could be used to verify the authenticity of the abstract expressionist’s paintings.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":"22 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86990420","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}