Journal of Raman Spectroscopy最新文献

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The Complementary Use of Raman, ATR-FTIR Spectroscopy, and Chemometrics for Investigating the Deterioration of Artificially Aged Parchment 拉曼光谱、ATR-FTIR光谱和化学计量学的互补应用研究人工老化羊皮纸的变质
IF 2.4 3区 化学
Journal of Raman Spectroscopy Pub Date : 2024-12-02 DOI: 10.1002/jrs.6755
Ekaterini Malea, Stamatis C. Boyatzis, Dimitris Karlis, Dimitrios Palles, Soghomon Boghosian, Spiros Zervos
{"title":"The Complementary Use of Raman, ATR-FTIR Spectroscopy, and Chemometrics for Investigating the Deterioration of Artificially Aged Parchment","authors":"Ekaterini Malea,&nbsp;Stamatis C. Boyatzis,&nbsp;Dimitris Karlis,&nbsp;Dimitrios Palles,&nbsp;Soghomon Boghosian,&nbsp;Spiros Zervos","doi":"10.1002/jrs.6755","DOIUrl":"https://doi.org/10.1002/jrs.6755","url":null,"abstract":"<p>Among the materials constituting our cultural heritage, parchment has a significant role as the substrate of many archival documents. The assessment of its state of preservation has an important benefit to conservation and delineates the adequate preventive measures that would lead to better-controlled storage and exhibition conditions in museums and libraries worldwide. In the framework of this project, artificial aging of 48 new goat parchment samples was performed to induce deterioration similar to naturally aged parchment exposed to atmospheric pollutants. Five factors have been examined: relative humidity; NO<sub>2</sub>; SO<sub>2</sub>; exposure time, and the order of sequential exposure to NO<sub>2</sub> and SO<sub>2</sub>. Temperature was kept constant at 25°C, while the effect of the above-mentioned factors was examined at two levels (low and high). Statistics was involved in advance in the experimental design. Raman spectroscopy along with attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy were used to investigate the condition of collagen in parchment. The entire set of environmental factors along with detected changes in the spectra were investigated through a chemometrics scheme involving analysis of variance (ANOVA). According to the results, the onset of collagen's secondary structure decomposition was observed. Statistical elaboration of data reveals that the two analytical methods (Raman and ATR-FTIR) function in a complementary manner related to the molecular changes and the chemical reactions that happen. In conclusion, both methods can increase their impact on the investigation of parchment degradation if they are combined with other analytical methods and chemometric applications.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 12","pages":"1266-1280"},"PeriodicalIF":2.4,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.6755","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142851384","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Archaeometric Study of the Colorants in the Finds From the 4th Century BC Cist Tomb at Lakkoma, Chalcidice 公元前4世纪在Chalcidice Lakkoma的Cist墓中发现的着色剂的考古研究
IF 2.4 3区 化学
Journal of Raman Spectroscopy Pub Date : 2024-11-28 DOI: 10.1002/jrs.6754
Svetlana Vivdenko, Athina Vasileiadou, Maria Tsimbidou-Avlonitou, Alexandros Konstanta, Lydia Avlonitou, Nikolaos Zacharias
{"title":"Archaeometric Study of the Colorants in the Finds From the 4th Century BC Cist Tomb at Lakkoma, Chalcidice","authors":"Svetlana Vivdenko,&nbsp;Athina Vasileiadou,&nbsp;Maria Tsimbidou-Avlonitou,&nbsp;Alexandros Konstanta,&nbsp;Lydia Avlonitou,&nbsp;Nikolaos Zacharias","doi":"10.1002/jrs.6754","DOIUrl":"https://doi.org/10.1002/jrs.6754","url":null,"abstract":"<div>\u0000 \u0000 <p>The analytical findings concerning the red pigments used on various decorative features originating from a Macedonian, as well as the purple dye from the deceased's attire, are presented. The cist tomb, discovered in 1987 at the area of Lakkoma Chalcidice (Macedonia, Greece), dated to the 4th century <span>bc</span> and featured a wooden funeral couch with intricate ornaments, such as clay “eyes,” colored plaster, and clay gorgoneions. Vermilion and red ochre served as the main pigments of these decorative features. The pigments were applied in various combinations to produce a range of red hues, from deep to bright red. Furthermore, the precious vermilion was also used in every element of the couch. The stucco on the decoration was gypsum, whereas the preparation layers over clay and stucco elements consisted of calcite and lead white, respectively. The cloth covering the deceased was dyed with the most expensive organic dye of antiquity, the Tyrian (shellfish) purple. In this research, the preliminary identification of the chromophoric minerals in the colors of the samples was carried out with the examination of their optical characteristics in thin sections using polarizing light microscope (PLM) and with portable XRF. Physicochemical techniques, Raman and HPLC, were also used to definitively identify the pigments. Portable Raman spectrometer was used for the in situ analysis of the inorganic colorants of the decorative materials, whereas laboratory Raman spectrometer served for the identification of inorganic and organic colorants of the grain samples and the dye. High-pressure liquid chromatography with diode array detector (HPLC-DAD) was applied for the identification of the coloring components of the purple organic dye from the deceased's clothes. The samples examined (0.5- to 1.5-mm diameter) were collected during the initial cleaning of the surface.</p>\u0000 </div>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 12","pages":"1322-1332"},"PeriodicalIF":2.4,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142851581","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}
引用次数: 0
Flashforward: The Current and Future Applications of Vibrational Spectroscopy for Forensic Purposes 闪进:振动光谱学在法医领域的应用现状与未来
IF 2.4 3区 化学
Journal of Raman Spectroscopy Pub Date : 2024-11-26 DOI: 10.1002/jrs.6750
Riley M. Alpuché, Bhavik Vyas, Igor K. Lednev
{"title":"Flashforward: The Current and Future Applications of Vibrational Spectroscopy for Forensic Purposes","authors":"Riley M. Alpuché,&nbsp;Bhavik Vyas,&nbsp;Igor K. Lednev","doi":"10.1002/jrs.6750","DOIUrl":"https://doi.org/10.1002/jrs.6750","url":null,"abstract":"<div>\u0000 \u0000 <p>Vibrational spectroscopy combined with machine learning has a great potential for forensic applications. For example, handheld Raman spectroscopic instruments are already used by law enforcement agencies for precise, confirmatory identification of drugs. Beyond drug identification, several emerging technologies based on vibrational spectroscopy are currently under development for forensic investigative purposes, including the analysis of questioned documents, gunshot residue, fabrics, soil, hair, nails, and nail polish. This article provides a comprehensive overview of the application of vibrational spectroscopy in various areas of forensic analysis, particularly focusing on forensic serology and the analysis of trace evidences. In the case of forensic serology, the methodology allows for determining complex aspects of serological casework, including the time since deposition of a stain, as well as the phenotypic profile of the stain donor—namely, sex, race, and age. Furthermore, gunshot residues can be accurately identified by grain, caliber, and manufacturer when Raman spectroscopy is paired with machine learning. This integration of advanced spectroscopic techniques with machine learning holds great promise for furthering both the accuracy and efficiency of investigations, helping to reduce the total backlog of evidence investigation currently plaguing modern forensic laboratories.</p>\u0000 </div>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"56 3","pages":"193-206"},"PeriodicalIF":2.4,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143565451","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}
引用次数: 0
Resonance Raman Scattering of Topological Insulators Bi2Te3 and Bi2 − xSbxTe3 − ySey Thin Films 拓扑绝缘体Bi2Te3和Bi2 - xSbxTe3 - ySey薄膜的共振拉曼散射
IF 2.4 3区 化学
Journal of Raman Spectroscopy Pub Date : 2024-11-26 DOI: 10.1002/jrs.6751
N. Kumar, N. V. Surovtsev, D. V. Ishchenko, P. A. Yunin, I. A. Milekhin, O. E. Tereshchenko, A. G. Milekhin
{"title":"Resonance Raman Scattering of Topological Insulators Bi2Te3 and Bi2 − xSbxTe3 − ySey Thin Films","authors":"N. Kumar,&nbsp;N. V. Surovtsev,&nbsp;D. V. Ishchenko,&nbsp;P. A. Yunin,&nbsp;I. A. Milekhin,&nbsp;O. E. Tereshchenko,&nbsp;A. G. Milekhin","doi":"10.1002/jrs.6751","DOIUrl":"https://doi.org/10.1002/jrs.6751","url":null,"abstract":"&lt;p&gt;Phonon occupation is temperature (&lt;i&gt;T&lt;/i&gt;) dependent; it may participate in scattering with electronic states of topological insulators (TIs). Longitudinal optical (LO) phonons \u0000&lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;msubsup&gt;\u0000 &lt;mi&gt;A&lt;/mi&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mn&gt;1&lt;/mn&gt;\u0000 &lt;mi&gt;g&lt;/mi&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;mn&gt;1&lt;/mn&gt;\u0000 &lt;/msubsup&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;$$ {mathrm{A}}_{1g}&amp;#x0005E;1 $$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; and \u0000&lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;msubsup&gt;\u0000 &lt;mi&gt;A&lt;/mi&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mn&gt;1&lt;/mn&gt;\u0000 &lt;mi&gt;g&lt;/mi&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;mn&gt;2&lt;/mn&gt;\u0000 &lt;/msubsup&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;$$ {mathrm{A}}_{1g}&amp;#x0005E;2 $$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; in Bi&lt;sub&gt;2 − x&lt;/sub&gt;Sb&lt;sub&gt;x&lt;/sub&gt;Te&lt;sub&gt;3 − y&lt;/sub&gt;Se&lt;sub&gt;y&lt;/sub&gt; (BSTS) was resonantly excited by a photon energy (E&lt;sub&gt;&lt;i&gt;p&lt;/i&gt;&lt;/sub&gt;) 2.33 eV due to electronic transition of unoccupied conduction band. The intensity of these modes was enhanced in Bi&lt;sub&gt;2&lt;/sub&gt;Te&lt;sub&gt;3&lt;/sub&gt; film at E&lt;sub&gt;&lt;i&gt;p&lt;/i&gt;&lt;/sub&gt; 1.87 eV, which is close to the electronic transition of unoccupied Dirac states. Fröhlich coupling strength was the main mechanism for higher intensity of \u0000&lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;msubsup&gt;\u0000 &lt;mi&gt;A&lt;/mi&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mn&gt;1&lt;/mn&gt;\u0000 &lt;mi&gt;g&lt;/mi&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;mn&gt;1&lt;/mn&gt;\u0000 &lt;/msubsup&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;$$ {mathrm{A}}_{1g}&amp;#x0005E;1 $$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; and \u0000&lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;msubsup&gt;\u0000 &lt;mi&gt;A&lt;/mi&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mn&gt;1&lt;/mn&gt;\u0000 &lt;mi&gt;g&lt;/mi&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;mn&gt;2&lt;/mn&gt;\u0000 &lt;/msubsup&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;$$ {mathrm{A}}_{1g}&amp;#x0005E;2 $$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; modes. At 300 K, the intensity of the \u0000&lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;msubsup&gt;\u0000 &lt;mi&gt;A&lt;/mi&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mn&gt;1&lt;/mn&gt;\u0000 &lt;mi&gt;g&lt;/mi&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;mn&gt;2&lt;/mn&gt;\u0000 &lt;/msubsup&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;$$ {mathrm{A}}_{1g}&amp;#x0005E;2 $$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; mode was significantly decayed in both the BSTS and Bi&lt;sub&gt;2&lt;/sub&gt;Te&lt;sub","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"56 3","pages":"207-217"},"PeriodicalIF":2.4,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143564677","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}
引用次数: 0
The Characterization of the Lattice Vibrations of Ammonium Nitrate in ANFO Mixture After Authentic Detonations Using Confocal Raman Microscopy and Single Crystal X-Ray Diffraction 用共聚焦拉曼显微镜和单晶x射线衍射表征铵油炸药中硝酸铵的晶格振动
IF 2.4 3区 化学
Journal of Raman Spectroscopy Pub Date : 2024-11-20 DOI: 10.1002/jrs.6752
Jared Estevanes, Nicholas Jernigan, Christopher Zall, Geraldine Monjardez
{"title":"The Characterization of the Lattice Vibrations of Ammonium Nitrate in ANFO Mixture After Authentic Detonations Using Confocal Raman Microscopy and Single Crystal X-Ray Diffraction","authors":"Jared Estevanes,&nbsp;Nicholas Jernigan,&nbsp;Christopher Zall,&nbsp;Geraldine Monjardez","doi":"10.1002/jrs.6752","DOIUrl":"https://doi.org/10.1002/jrs.6752","url":null,"abstract":"<div>\u0000 \u0000 <p>This study aimed to characterize ammonium nitrate lattice vibrations in an ammonium nitrate and fuel oil mixture (ANFO) following authentic explosive events using confocal Raman microscopy and single-crystal X-ray diffraction (XRD). Two simulated IEDs were constructed and detonated, consisting of several different substrate materials, using ANFO as the main charge. Crystalline material was observed to be growing on several of the postblast substrates. Microscopical examination revealed the crystalline material to have isotropic and anisotropic characteristics. Following recrystallization from water, the material was identified as ammonium nitrate. Single-crystal X-ray diffraction enabled the identification of the unit cells and molecular structures of the crystals formed after the blast. The values corresponded to the known Phase IV structure of recrystallized ammonium nitrate; however, there were minor yet statistically significant variations in the distances in the unit cell dimensions and O–N–O angles. Ex situ analysis of isotropic crystalline fragment using confocal Raman microscopy determined that lattice vibrations within the material were different than the ANFO intact reference, with the blue shifting of several bands, the emergence of new bands, and the loss of other characteristic bands. It was determined that the isotropic crystalline material observed in the postblast residue consisted of stressed state Phase IV AN. This suggests that a thermal change of AN can be observed in the microscopical characteristics and Raman spectrum of the crystals, demonstrating the importance of low frequency Raman spectroscopy (10–250 cm<sup>−1</sup>), which allows the identification of distinct spectral features of crystalline salts.</p>\u0000 </div>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"56 2","pages":"146-154"},"PeriodicalIF":2.4,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143362998","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}
引用次数: 0
Raman Spectroscopy Reveals Microparticles in Synovial Fluids of Patients With Suspected Implant-Related Complications 拉曼光谱揭示疑似植入物相关并发症患者滑液中的微粒
IF 2.4 3区 化学
Journal of Raman Spectroscopy Pub Date : 2024-11-19 DOI: 10.1002/jrs.6753
Tom Niessink, Jorrit W. A. Schoenmakers, Matthijs Janssen, Marjan Wouthuyzen-Bakker, Sjouke Piersma, Marleen van Oosten, Jan Maarten van Dijl, Cees Otto, Tim L. Jansen
{"title":"Raman Spectroscopy Reveals Microparticles in Synovial Fluids of Patients With Suspected Implant-Related Complications","authors":"Tom Niessink,&nbsp;Jorrit W. A. Schoenmakers,&nbsp;Matthijs Janssen,&nbsp;Marjan Wouthuyzen-Bakker,&nbsp;Sjouke Piersma,&nbsp;Marleen van Oosten,&nbsp;Jan Maarten van Dijl,&nbsp;Cees Otto,&nbsp;Tim L. Jansen","doi":"10.1002/jrs.6753","DOIUrl":"https://doi.org/10.1002/jrs.6753","url":null,"abstract":"<p>Prosthetic implant-associated inflammation and failure can be caused by bacterial infections and mechanical wear of the prosthesis. Currently, there is no diagnostic modality that allows simultaneous identification of both causes of implant failure. Here, we present a proof-of-principle study to assess whether Raman spectroscopy can be applied to diagnose implant failure. Synovial fluids from 10 patients with a clinical suspicion of implant-related complications were previously collected and cultured to determine the presence of bacteria. The presence of microparticles in these synovial fluids was assessed by Raman spectroscopy and verified by scanning electron microscopy combined with energy-dispersive X-ray spectroscopy (SEM-EDX). For control, the possibility to detect in vitro<i>-</i>cultured <i>Staphylococcus aureus</i> by Raman spectroscopy was investigated. Raman spectroscopy revealed that all 10 synovial fluid samples contained microparticles: eight contained microplastics (polyethylene, polypropylene, and polystyrene), and nine contained titanium dioxide nanoparticles (anatase and rutile) as verified by SEM-EDX. There was no clear difference in the microparticle content of synovial fluids with or without bacteria. Raman signals relating to individual bacteria and clusters of bacteria were detectable in in vitro cultures of <i>S. aureus</i>, but it was not possible to demonstrate the presence of bacteria in synovial fluids by Raman spectroscopy. Raman spectroscopy is a potential tool for characterizing microparticles in synovial fluids from patients with implant-related complications. This is of clinical relevance as these microparticles can cause joint inflammation. The identification of bacteria by Raman spectroscopy is feasible, but further research is needed before clinical implementation.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"56 2","pages":"127-134"},"PeriodicalIF":2.4,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.6753","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143362388","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Determination of Size, Size Distribution, and Concentration of Nanoparticles Using ICP-MS in the Context of SERS Substrates 在SERS底物背景下使用ICP-MS测定纳米颗粒的尺寸、尺寸分布和浓度
IF 2.4 3区 化学
Journal of Raman Spectroscopy Pub Date : 2024-11-18 DOI: 10.1002/jrs.6746
Julie Horne, Pierre Beckers, Kevser Kemik, Charlotte De Bleye, Pierre-Yves Sacré, Nicolas Thelen, Philippe Hubert, Eric Ziemons, Cédric Hubert
{"title":"Determination of Size, Size Distribution, and Concentration of Nanoparticles Using ICP-MS in the Context of SERS Substrates","authors":"Julie Horne,&nbsp;Pierre Beckers,&nbsp;Kevser Kemik,&nbsp;Charlotte De Bleye,&nbsp;Pierre-Yves Sacré,&nbsp;Nicolas Thelen,&nbsp;Philippe Hubert,&nbsp;Eric Ziemons,&nbsp;Cédric Hubert","doi":"10.1002/jrs.6746","DOIUrl":"https://doi.org/10.1002/jrs.6746","url":null,"abstract":"<div>\u0000 \u0000 <p>Surface enhanced Raman scattering (SERS) is a widely used vibrational spectroscopic technique employing metallic nanostructures to enhance an inherent Raman signal. This study aimed to develop a method for the characterization of SERS substrates in a single analysis by inductively coupled plasma mass spectrometry (ICP-MS) equipped with the single particle module (spICP-MS). For this development, the well-known Lee-Meisel protocol was selected as starting point to synthesize gold nanoparticles (AuNps) and silver nanoparticles (AgNps). A spICP-MS method was successfully developed and gave the mean size, size distribution, and concentration of nanoparticles in only one single analysis. Reference techniques were used to confirm these results namely dynamic light scattering, transmission electron microscopy, and UV–Visible spectroscopy. Thanks to the ICP-MS characterization, it was observed that AgNps synthesized by chemical reduction presented more variability than the AuNps. The dissolved elements concentration in the suspension was investigated. It appeared that reaction yields were close to 100% for the six syntheses. This analysis may be repeated over time to evaluate the suspension stability and monitor any potential degradation of Nps. To conclude, ICP-MS is a powerful technique to characterize SERS substrates and could be an interesting alternative to other characterization techniques.</p>\u0000 </div>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"56 2","pages":"117-126"},"PeriodicalIF":2.4,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143363030","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}
引用次数: 0
The Raman Spectra of α $$ alpha $$ - and β $$ beta $$ -Si3N4 and Si2N2O Determined Experimentally and by Density Functional Theory 用密度泛函理论测定α $$ alpha $$ -和β $$ beta $$ - si3n4和Si2N2O的拉曼光谱
IF 2.4 3区 化学
Journal of Raman Spectroscopy Pub Date : 2024-11-14 DOI: 10.1002/jrs.6749
Johannes T. Kehren, Michael Fischer, Olaf Krause
{"title":"The Raman Spectra of \u0000\u0000 \u0000 \u0000 α\u0000 \u0000 $$ alpha $$\u0000 - and \u0000\u0000 \u0000 \u0000 β\u0000 \u0000 $$ beta $$\u0000 -Si3N4 and Si2N2O Determined Experimentally and by Density Functional Theory","authors":"Johannes T. Kehren,&nbsp;Michael Fischer,&nbsp;Olaf Krause","doi":"10.1002/jrs.6749","DOIUrl":"https://doi.org/10.1002/jrs.6749","url":null,"abstract":"<p>High-quality Raman spectra of the two silicon nitride polymorphs \u0000<span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mi>α</mi>\u0000 </mrow>\u0000 <annotation>$$ alpha $$</annotation>\u0000 </semantics></math>- and \u0000<span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mi>β</mi>\u0000 </mrow>\u0000 <annotation>$$ beta $$</annotation>\u0000 </semantics></math>-Si<sub>3</sub>N<sub>4</sub> as well as of Si<sub>2</sub>N<sub>2</sub>O are presented here. This work significantly extends the previously available data on the Raman spectra of all three phases. For \u0000<span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mi>α</mi>\u0000 </mrow>\u0000 <annotation>$$ alpha $$</annotation>\u0000 </semantics></math>-Si<sub>3</sub>N<sub>4</sub>, a total of 34 Raman bands were confirmed, and for Si<sub>2</sub>N<sub>2</sub>O, a total of 19 Raman bands were observed for the first time. In the case of \u0000<span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mi>β</mi>\u0000 </mrow>\u0000 <annotation>$$ beta $$</annotation>\u0000 </semantics></math>-Si<sub>3</sub>N<sub>4</sub>, all 11 known Raman modes were confirmed. For further accuracy and comparison, the spectra of the three phases were also calculated with different density functional theory functionals. Good agreement between the experimental data and the calculated vibrational modes is shown. Between the different DFT functionals, the rSCAN functional had the best agreement with the experimental data, clearly outperforming the PBEsol functional.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"56 2","pages":"155-164"},"PeriodicalIF":2.4,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.6749","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143362991","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Assessment of Time-Gated Raman Spectroscopy for Online Mineralogy of a Spodumene Ore 某锂辉石矿石在线矿物学的时间门控拉曼光谱评价
IF 2.4 3区 化学
Journal of Raman Spectroscopy Pub Date : 2024-11-14 DOI: 10.1002/jrs.6748
Teemu Laitinen, Marc Legault, Satu Ojala, Jean-François Boulanger
{"title":"Assessment of Time-Gated Raman Spectroscopy for Online Mineralogy of a Spodumene Ore","authors":"Teemu Laitinen,&nbsp;Marc Legault,&nbsp;Satu Ojala,&nbsp;Jean-François Boulanger","doi":"10.1002/jrs.6748","DOIUrl":"https://doi.org/10.1002/jrs.6748","url":null,"abstract":"<p>This paper investigates the applicability of time-gated Raman spectroscopy (TRS) for online mineralogy identification, focusing on a Li-bearing spodumene ore. The study provides an overview of existing online mineralogy tools and points out some limitations of elemental analysis techniques. Dense media separation concentrate and tailing samples used originated from a deposit in Quebec, Canada. Various techniques, including ICP-AES, XRD, laser diffraction, and specific gravity determination, were used for detailed sample characterization. Samples and their mixtures at known ratios were prepared as powder and slurries, before being analyzed using TRS, followed by spectrum quantitative analysis. Results show a linear correlation between spodumene percentage by weight and the main Raman peak height or area, in both dry and slurry form, with a higher determination coefficient in slurry form. TRS also provided indications as to the gangue minerals present in the samples. This study shows the potential for TRS as a tool for online mineralogical assessment of spodumene ores, and further work should target the determination of detection limits and quantification of both valuable and gangue minerals.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"56 2","pages":"135-145"},"PeriodicalIF":2.4,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.6748","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143362990","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of Particle Size on Raman Signal Strength of Silicate Minerals 粒径对硅酸盐矿物拉曼信号强度的影响
IF 2.4 3区 化学
Journal of Raman Spectroscopy Pub Date : 2024-11-13 DOI: 10.1002/jrs.6745
Laura B. Breitenfeld, M. Darby Dyar, Elizabeth C. Sklute, Carey Legett
{"title":"Effect of Particle Size on Raman Signal Strength of Silicate Minerals","authors":"Laura B. Breitenfeld,&nbsp;M. Darby Dyar,&nbsp;Elizabeth C. Sklute,&nbsp;Carey Legett","doi":"10.1002/jrs.6745","DOIUrl":"https://doi.org/10.1002/jrs.6745","url":null,"abstract":"<div>\u0000 \u0000 <p>Understanding the effects of particle size is necessary for quantifying minerals in mixtures using Raman spectroscopy. Raman signal intensity is evaluated using six common silicate minerals (two olivines, two pyroxenes, and two feldspars) at 10 particle size ranges. For olivines and feldspars, the highest peak intensities are observed in samples with 38–63 and 63–106 μm particle sizes. There is no such consistent trend for the pyroxene samples, although the overall low signal strength complicates those measurements. Raman spectra of samples with varying particle sizes appear to be influenced by two competing effects: scattering from particle boundaries and effective sampling volume.</p>\u0000 </div>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"56 2","pages":"184-187"},"PeriodicalIF":2.4,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143362864","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}
引用次数: 0
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