Applied SpectroscopyPub Date : 2024-12-01Epub Date: 2024-05-09DOI: 10.1177/00037028241252693
Daniele Barbiero, Fabio Melison, Lorenzo Cocola, Massimo Fedel, Cristian Andrighetto, Paola De Dea, Luca Poletto
{"title":"Raman Spectroscopy Applied to Early Detection of <i>Clostridium</i> Infection in Milk.","authors":"Daniele Barbiero, Fabio Melison, Lorenzo Cocola, Massimo Fedel, Cristian Andrighetto, Paola De Dea, Luca Poletto","doi":"10.1177/00037028241252693","DOIUrl":"10.1177/00037028241252693","url":null,"abstract":"<p><p>Detecting <i>Clostridium</i> in milk presents a significant challenge for the dairy industry given that traditional methods are time-consuming and not specific for these bacteria. Microbiological techniques are expensive and require qualified personnel. <i>Clostridium</i>, in the form of spores, can withstand pasteurization and revert to its vegetative form during cheese aging. These gas-producing bacteria are known for their production of carbon dioxide and hydrogen, causing the formation of slits, cracks, and irregular eyes in hard and semi-hard cheeses. However, gas analysis in the vial headspace of appropriate culture can be exploited to specifically detect <i>Clostridium</i> presence, since the closest competing bacterial <i>Bacilli</i> produces only carbon dioxide. The aim of this paper is to present a Raman-spectroscopy-based instrument for a rapid, inexpensive identification of <i>Clostridium</i> in milk with a limit of detection of 29 spores/L. The proposed measurement procedure is analog to that routinely used, based on the most probable number method. The Raman-based instrument speeds up the detection of a vial's positivity. A test conducted with <i>Clostridium</i> spores demonstrated its effectiveness in almost halving the time needed for the measurement campaign compared to the traditional method.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"1256-1262"},"PeriodicalIF":2.2,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140896917","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Applied SpectroscopyPub Date : 2024-12-01Epub Date: 2024-07-26DOI: 10.1177/00037028241265140
Alessia Arrigoni, Luigi Brambilla, Chiara Bertarelli, Carlo Saporiti, Chiara Castiglioni
{"title":"Conducting Electrospun Poly(3-hexylthiophene-2,5-diyl) Nanofibers: New Strategies for Effective Chemical Doping and its Assessment Using Infrared Spectroscopy.","authors":"Alessia Arrigoni, Luigi Brambilla, Chiara Bertarelli, Carlo Saporiti, Chiara Castiglioni","doi":"10.1177/00037028241265140","DOIUrl":"10.1177/00037028241265140","url":null,"abstract":"<p><p>Vibrational spectroscopy allows the investigation of structural properties of pristine and doped poly(3-hexylthiophene-2,5-diyl) (P3HT) in highly anisotropic materials, such as electrospun micro- and nanofibers. Here, we compare several approaches for doping P3HT fibers. We have selected two different electron acceptor molecules as dopants, namely iodine and 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ). In the case of iodine, we have explored the doping of the fibers according to several different procedures, i.e., by sequential doping both in vapors and in solution, and with a novel promising one-step method, which exploits the mixing of the dopant to the electrospinning feed solution. Polarized infrared (IR) spectroscopy experiments prove the orientation of P3HT chains, with the polymer backbone mainly running parallel to the fiber axis. After doping, P3HT fibers show very strong and polarized doping-induced IR active vibrations (IRAVs), which are the spectroscopic signature of the structure relaxation induced by the charged defects (polarons), thus providing an unambiguous proof of the effective doping. Raman spectroscopy complements the IR evidence: The Raman spectrum shows a clearly recognizable shift of the main band, the so-called effective conjugation coordinate band, in the doped samples. A simple protocol, which quantifies the evolution of the IRAV bands with time, allows monitoring of the doping stability over time and confirms that F4TCNQ is by far superior to iodine.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"1279-1294"},"PeriodicalIF":2.2,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141756802","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Alexis Cova-Bonillo, Rayda Patiño-Camino, George Brinklow, Magín Lapuerta, José Rodríguez-Fernández, Jorge H Melillo, Silvina Cerveny
{"title":"Model Fitting and Analysis of Dielectric Properties in Alcohol-Fuel Blends Using Terahertz and Gigahertz Spectroscopies.","authors":"Alexis Cova-Bonillo, Rayda Patiño-Camino, George Brinklow, Magín Lapuerta, José Rodríguez-Fernández, Jorge H Melillo, Silvina Cerveny","doi":"10.1177/00037028241298300","DOIUrl":"https://doi.org/10.1177/00037028241298300","url":null,"abstract":"<p><p>Alcohols from biological waste sources or renewable electricity (electrofuels) are gaining attention in hard-to-decarbonize sectors such as transport. Adding alcohol to conventional fuels has positive environmental effects on automotive applications, requiring minimal engine adjustments. Employing a combination of terahertz (THz) and gigahertz (GHz) spectroscopies, a comprehensive analysis of model fitting is presented for diesel-like fuels, pure alcohols (ethanol and n-butanol), and alcohol-fuel blends. Through the integration of data from both spectroscopic techniques, new Debye parameters are introduced to improve the accuracy of fitting for various fuels. This research demonstrates that THz spectroscopy alone is valuable for reasonable fits, particularly for alcohols. However, integrating THz and GHz spectroscopies leads to improved fitting, and to better potential to understand the behavior of fuel properties. In addition, the effect of alcohol concentration on the dielectric constant spectra in blends was investigated, highlighting the importance of molecular interactions. The results reveal a linear relationship between fitted parameters and alcohol content in the blends. However, the study acknowledges limitations, including challenges in achieving satisfactory fits at low alcohol concentrations and the necessity for assumptions in the modeling process. These findings provide a basis for future research and advances in fuel property modeling.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241298300"},"PeriodicalIF":2.2,"publicationDate":"2024-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142708939","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ponkanok Nitzsche, Cem Dinc, Jens Goldschmidt, Leonard Nitzsche, Jürgen Wöllenstein, Katrin Schmitt
{"title":"Comparison of a Quantum Cascade Laser and an Interband Cascade Laser for the Detection of Stable Carbon Dioxide Isotopes Using Tunable Laser Absorption Spectroscopy.","authors":"Ponkanok Nitzsche, Cem Dinc, Jens Goldschmidt, Leonard Nitzsche, Jürgen Wöllenstein, Katrin Schmitt","doi":"10.1177/00037028241291157","DOIUrl":"https://doi.org/10.1177/00037028241291157","url":null,"abstract":"<p><p>Quantum cascade lasers (QCLs) and interband cascade lasers (ICLs) are widely used as light sources in tunable laser absorption spectroscopy because they emit in the mid-infrared region where many strong and characteristic absorption bands are present. In this paper, we compare the performance of these lasers emitting at about 2310.1 cm<sup>-1</sup> to determine an optimal light source for detecting isotopic ratios of carbon dioxide (CO<sub>2</sub>). Our results show that the QCL has a higher relative intensity noise of up to 15 dBc/Hz compared to the ICL over the entire measured frequency range. In addition, it has a higher frequency fluctuation. However, the maximum tuning range of the QCL is up to 5.2 cm<sup>-1</sup> compared to up to 3.8 cm<sup>-1</sup> for the ICL. Both lasers lose more than half of their tuning range when the tuning rate is increased to 10 kHz. When measuring the isotope ratio of CO<sub>2</sub>, an uncertainty in the <math><msup><mi>δ</mi><mn>13</mn></msup></math> value of <math><msubsup><mi>σ</mi><mrow><mrow><mn>13</mn><mi>C</mi><mo>,</mo><mi>min</mi></mrow></mrow><mrow><mrow><mi>ICL</mi></mrow></mrow></msubsup><mo>=</mo><mn>0.17</mn></math>‰ was achieved with the ICL and of <math><msubsup><mi>σ</mi><mrow><mrow><mn>13</mn><mi>C</mi><mo>,</mo><mi>min</mi></mrow></mrow><mrow><mrow><mi>QCL</mi></mrow></mrow></msubsup><mo>=</mo><mn>0.42</mn></math>‰ with the QCL, both at an integration time of 0.2 s. In summary, the QCL is more appropriate for applications that require a larger spectral tuning range, such as the measurement of a complex gas mixture, while the ICL has an excellent signal-to-noise ratio and is therefore better suited for applications that require higher precision.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241291157"},"PeriodicalIF":2.2,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142613925","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Integration of 6-Thioguanine Functionalized Molybdenum-Copper Bimetallic Nanoclusters With Fluorescence Spectroscopy for the Sensitive Detection of Uric Acid in Biofluids.","authors":"Harshita, Tae Jung Park, Suresh Kumar Kailasa","doi":"10.1177/00037028241292056","DOIUrl":"https://doi.org/10.1177/00037028241292056","url":null,"abstract":"<p><p>In this paper, a single-step synthetic approach is presented for the development of bimetallic molybdenum-copper nanoclusters (Mo-CuNCs), shielded by a small molecule 6-thioguanine (6-TG). The Mo-CuNCs possessed a small size, high fluorescence, stable behavior, and good solubility in water. The 6-TG-Mo-CuNCs exhibit strong blue fluorescence emission at 410 nm after exciting at 330 nm as compared to its monometallic nanoclusters. Utilizing 6-TG-Mo-CuNCs superior biochemical stability, uric acid (UA) can be specifically detected as an oxidative stress biomarker using an inner filter effect mechanism. The probe demonstrated good sensing capability for detecting UA within the range of 0.09-5.00 μM and a detection limit of 0.237 μM. The method feasibility is further validated by quantifying UA in urine and plasma samples.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241292056"},"PeriodicalIF":2.2,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142613926","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Muhammad Muhammad, Chang-Sheng Shao, Raziq Nawaz, Amil Aligayev, Muhammad Hassan, Mona Alrasheed Bashir, Jamshed Iqbal, Jie Zhan, Qing Huang
{"title":"Using Label-Free Raman Spectroscopy Integrated with Microfluidic Chips to Probe Ferroptosis Networks in Cells.","authors":"Muhammad Muhammad, Chang-Sheng Shao, Raziq Nawaz, Amil Aligayev, Muhammad Hassan, Mona Alrasheed Bashir, Jamshed Iqbal, Jie Zhan, Qing Huang","doi":"10.1177/00037028241292087","DOIUrl":"https://doi.org/10.1177/00037028241292087","url":null,"abstract":"<p><p>Ferroptosis, a regulated form of cell death driven by oxidative stress and lipid peroxidation, has emerged as a pivotal research focus with implications across various cellular contexts. In this study, we employed a multifaceted approach, integrating label-free Raman spectroscopy and microfluidics to study the mechanisms underpinning ferroptosis. Our investigations included the ferroptosis initiation based on the changes in the lipid Raman band at 1436 cm<sup>-1</sup> under different cellular states, the generation of reactive oxygen species (ROS), lipid peroxidation, DNA damage/repair, and mitochondrial dysfunction. Importantly, our work highlighted the dynamic role of vital cellular components, such as nicotinamide adenine dinucleotide phosphate hydrogen (NADPH), ferredoxin clusters, and other key factors such as glutathione peroxidase 4 and nuclear factor erythroid 2, which collectively influenced cellular responses to redox imbalance and oxidative stress. Quantum mechanical (QM) and molecular docking simulations (MD) provided further evidence of interactions between the ferredoxin (containing 4Fe-4S clusters), NADPH, and ROS, which led to the production of reactive Fe species in the cells. As such, our approach not only offered a real-time, multidimensional perspective on ferroptosis but also provided valuable methods and insights for therapeutic interventions in diverse biomedical contexts.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241292087"},"PeriodicalIF":2.2,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142613927","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Collin G White, Thomas M Hancewicz, Ayuba Fasasi, Junior Wright, Barry K Lavine
{"title":"Alternating and Modified Alternating Least Squares Applied to Raman Spectra of Finished Gasolines.","authors":"Collin G White, Thomas M Hancewicz, Ayuba Fasasi, Junior Wright, Barry K Lavine","doi":"10.1177/00037028241292649","DOIUrl":"https://doi.org/10.1177/00037028241292649","url":null,"abstract":"<p><p>Extraction of components from individual refinery streams (e.g., reformates and alkylates) in finished gasoline was undertaken using Raman spectroscopy to characterize the chemical content of the finished product. Modified alternating least squares (MALS) was used for separating Raman spectroscopic data sets of the finished product into its pure individual components. The advantages of MALS over alternating least squares (ALS) for multicomponent resolution are highlighted in this study using three Raman spectroscopic data sets which provide a suitable benchmark for comparing the performance of these two methods. MALS is superior to ALS in terms of accuracy and can better resolve components than ALS, and it is also more robust toward collinear data. Finally, components near the noise level usually cannot be extracted by ALS because of instability when inverting the covariance structure which inflates the noise present in the data. However, these same components can be extracted by MALS due to the stabilization of the least squares regression with respect to the matrix inversion using modified techniques from ridge regression.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241292649"},"PeriodicalIF":2.2,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142602885","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Christoforos Chrimatopoulos, Maria Laura Tummino, Eleftherios Iliadis, Cinzia Tonetti, Vasilios Sakkas
{"title":"Attenuated Total Reflection Fourier Transform Infrared Spectroscopy and Chemometrics for the Discrimination of Animal Hair Fibers for the Textile Sector.","authors":"Christoforos Chrimatopoulos, Maria Laura Tummino, Eleftherios Iliadis, Cinzia Tonetti, Vasilios Sakkas","doi":"10.1177/00037028241292372","DOIUrl":"https://doi.org/10.1177/00037028241292372","url":null,"abstract":"<p><p>Analyzing the composition of animal hair fibers in textiles is crucial for ensuring the quality of yarns and fabrics made from animal hair. Among others, Fourier transform infrared (FT-IR) spectroscopy is a technique that identifies vibrations associated with chemical bonds, including those found in amino acid groups. Cashmere, mohair, yak, camel, alpaca, vicuña, llama, and sheep hair fibers were analyzed via attenuated total reflection FT-IR (ATR FT-IR) spectroscopy and scanning electron microscopy techniques aiming at the discrimination among them to identify possible commercial frauds. ATR FT-IR, being a novel approach, was coupled with chemometric tools (partial least squares discriminant analysis, PLS-DA), building classification/prediction models, which were cross-validated. PLS-DA models provided an excellent differentiation among animal hair of both camelids and eight animal species. In addition, the combination of ATR FT-IR and PLS-DA was used to discriminate the cashmere hair from different origins (Afghanistan, Australia, China, Iran, and Mongolia). The model showed very good discrimination ability (accuracy 87%), with variance expression of 94.88% and mean squared error of cross-validation of 0.1525.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241292372"},"PeriodicalIF":2.2,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142602886","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Spectroscopic Investigation of the Interaction of Silicate Ions with Lead Carbonates Under Drinking Water Conditions.","authors":"Hailey Holmes, José E Herrera","doi":"10.1177/00037028241291072","DOIUrl":"https://doi.org/10.1177/00037028241291072","url":null,"abstract":"<p><p>The presence of lead has been identified as a critical health risk in drinking water systems serviced by Pb-bearing plumbing. Among several corrosion control strategies, the use of sodium silicates has attracted interest due to the advantages it offers compared to other approaches, such as phosphate dosage. However, the interaction of silicate ions with lead corrosion scales and other ubiquitous dissolved species such as Al ions in drinking water is not well understood. In this work, surface and bulk spectroscopic analysis of the solid scale is combined with quantitative analysis of the aqueous phase. A detailed spectroscopic probing of the transformations taking place on the solid phase enables us to develop a mechanistic framework for reports published in the last four years in the open literature, suggesting that silicates may not be an adequate corrosion control option in drinking water systems rich in solid lead carbonates. The spectroscopic data obtained demonstrate that in the presence of chlorine residual, silicates inhibit Pb(II) carbonates from oxidizing into less soluble Pb(IV) oxides thus, negatively impacting water quality. Furthermore, aluminum ions interact with silicates resulting in the formation of solid allophane phase over the lead scale surface, extending into the bulk. However, the formation of this new solid allophane phase does not protect against lead dissolution.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241291072"},"PeriodicalIF":2.2,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142602889","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Applied SpectroscopyPub Date : 2024-11-01Epub Date: 2024-09-10DOI: 10.1177/00037028241270637
Robert V Chimenti, Kayla A Bensley, Alexandra M Lehman-Chong, Jamison D Engelhardt, Alyssa M Sepcic, Jianwei Tu, Joseph F Stanzione, Samuel E Lofland
{"title":"Influence of Rheological Modifications on Primary Network Chemical and Structural Cure Kinetics for an Interpenetrating Polymer Network Resin.","authors":"Robert V Chimenti, Kayla A Bensley, Alexandra M Lehman-Chong, Jamison D Engelhardt, Alyssa M Sepcic, Jianwei Tu, Joseph F Stanzione, Samuel E Lofland","doi":"10.1177/00037028241270637","DOIUrl":"10.1177/00037028241270637","url":null,"abstract":"<p><p>The development of non-contact in situ techniques for monitoring cure kinetics has the potential to greatly improve both resin formulation and processing. We have recently shown that low-frequency Raman spectroscopy is a viable method for assessing resin structural cure kinetics and complements the traditional chemical conversion determined from the fingerprint region of the spectrum. In this work, we further evaluate the relationship between structural and chemical conversion by investigating two chemically identical yet rheologically different interpenetrating polymer network resin formulations. Rheological analysis demonstrates a relationship between structural conversion and storage modulus, which is not observed in the chemical conversion data. We show that one can produce master cure kinetics curves with comparable kinetic constants using both the chemical and structural conversion methodologies. Parametric analysis of the structural conversion, chemical conversion, and photorheological conversion was combined with a semi-empirical model for the storage shear modulus as a function of the extent of cure.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"1173-1182"},"PeriodicalIF":4.6,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141878258","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}