Ana de Dios-Cubillas, Olga Prieto-Ballesteros, Manfred Nachtnebel, Harald Fitzek, Hartmuth Schröttner
{"title":"SEM/Raman spectroscopy of clathrites as analogs of authigenic carbonates in ocean worlds","authors":"Ana de Dios-Cubillas, Olga Prieto-Ballesteros, Manfred Nachtnebel, Harald Fitzek, Hartmuth Schröttner","doi":"10.1002/jrs.6711","DOIUrl":"10.1002/jrs.6711","url":null,"abstract":"<p>There is evidence from the near-infrared observations of space missions of the presence of carbonates on the surface of several ocean worlds. However, their genesis remains unresolved. We investigate the hypothesis that these carbonates may be in the form of clathrites assuming that clathrate hydrates are stable phases in the crust and ocean of these ocean worlds. In order to support this, we studied a sample of a potential clathrite from the Hydrate Ridge cold seep (Cascadia Subduction Zone), the carbonate rock fossil of clathrate hydrates, as a terrestrial analogue. We characterised the mineralogy and texture of the sample by using a coupled confocal Raman microscope and scanning electron microscopy instrument with the aim of identifying possible geo- and biosignatures, which could be relevant for future missions of exploration to ocean worlds and Mars. Our results show that aragonite is the dominant mineral phase in the clathrite sample, but Mg-calcite and dolomite were also identified. These three carbonates constitute a pattern related to clathrate hydrate formation and dissociation processes. Dolomite was defined as a biosignature of gas hydrate microbiomes because it was integrated within Mg-calcite grains precipitated after clathrate hydrate dissociation. Nevertheless, no spectral changes were observed in Raman bands of carbonate minerals that would indicate the influence of clathrate hydrates in their genesis. We also observed that Raman band positions of the associated framboidal pyrites are a characteristic signature of the associated framboid-like texture because its potential as biosignature may only be attributed by biochemical analysis.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 10","pages":"1057-1066"},"PeriodicalIF":2.4,"publicationDate":"2024-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.6711","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141504640","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}
{"title":"Micro‐Raman study of black and red decorations of Neolithic Yangshao potteries excavated from Taiyuan city, Shanxi province, China (c. 3000 BCE)","authors":"Ying Wang, Yuanqing Yang, Liangliang Hou, Rui Guo, Fen Wang, Jianfeng Zhu, Jingrong Pei, Hongjie Luo, Tian Wang","doi":"10.1002/jrs.6714","DOIUrl":"https://doi.org/10.1002/jrs.6714","url":null,"abstract":"Yangshao culture, as the most important Neolithic culture in China, is famous for its finely decorated pottery. In this work, Yangshao potteries excavated in Shanxi province, one of the core distribution areas, were studied by micro‐Raman spectroscopy combined with optical microscopy, X‐ray fluorescence, and scanning electron microscopy equipped with energy‐dispersive X‐ray spectroscopy. The color of the red decor is derived from hematite and maghemite. The black decorations on the surface are more complex, which could be divided into two types according to the Mn/Fe ratios and crystalline types: (1) low MnO<jats:sub>2</jats:sub>/Fe<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub> ratio and jacobsite and magnetite and (2) high MnO<jats:sub>2</jats:sub>/Fe<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub> ratio and hausmannite. The former color is obviously brighter than the latter. This study also demonstrates the potential of micro‐Raman microscopy in analyzing the nature of colorant crystals in Yangshao painted potteries and, therefore, better deciphering the technical details involved in the potteries of Yangshao culture.","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"12 1","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141504642","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}
Sahroz Khan, Yana Fedortchouk, Monika Feichter, Tivadar M. Toth
{"title":"Confocal Raman spectroscopic study of melt inclusions from peridotite xenoliths in economic and barren kimberlites from Kaapvaal Craton","authors":"Sahroz Khan, Yana Fedortchouk, Monika Feichter, Tivadar M. Toth","doi":"10.1002/jrs.6709","DOIUrl":"https://doi.org/10.1002/jrs.6709","url":null,"abstract":"<p>Melt inclusions trapped in minerals inside xenoliths from kimberlites can help to examine the composition of kimberlite melt and/or metasomatic processes in the subcratonic lithospheric mantle as well as shed more light on the role of these melts in diamond destruction. In this study, confocal Raman spectroscopy of secondary melt inclusions in olivine from xenoliths in five different Kaapvaal Craton kimberlites was used for testing any compositional differences between melt inclusions from economically productive (Bultfontein and Frank Smit) and uneconomic diamond barren (Matsoku, Thaba Putsoa, and Pipe 200) kimberlite pipes. The xenoliths represent a range of pressures (37–45 kbar) and temperatures (1000–1300°C). The 26 daughter minerals identified within melt inclusions include Ca–Mg (±Na, K, P, Cl)-bearing carbonates, alkali (±Ca, Ba, Cl, F, H<sub>2</sub>O, CO<sub>2</sub>)-bearing sulfates, phosphates, oxides, silicates, and a rare nitrate. The mineral assemblages in melt inclusions are similar in both economic and barren kimberlite pipes from the interior and the edge of the craton, indicating the similar composition of the entrapped melts in all studied samples. However, the petrographic study revealed different metasomatic processes recorded by xenoliths from barren and economic kimberlites. Metasomatism by a melt enriched in K, Ca, and H<sub>2</sub>O could be instrumental in diamond destruction and the low diamond grade of the three barren kimberlites from Lesotho. Our study revealed no effect of kimberlite melt composition on diamond preservation in the studied kimberlites: instead, diamond grade is most likely affected by diamond destruction in the mantle source prior to kimberlite emplacement with kimberlite ascent.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 10","pages":"1090-1104"},"PeriodicalIF":2.4,"publicationDate":"2024-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.6709","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142430041","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}
{"title":"Thermodynamically consistent derivation of excess Raman spectra","authors":"Miriam Willger, Andreas Siegfried Braeuer","doi":"10.1002/jrs.6707","DOIUrl":"10.1002/jrs.6707","url":null,"abstract":"<p>Attempting to compute the excess Raman spectra, the authors found that the method of spectral normalization greatly influences not only the intensity but also the shape of the excess spectra. We here present a method for the computation of normalized excess Raman spectra that is regarded as thermodynamically consistent. In the presented method, the normalized excess Raman spectra are computed from molar Raman spectra, which cannot be measured directly. It is therefore described how they can be obtained from intensity-normalized Raman spectra and a regression of mixture Raman spectra.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 10","pages":"1080-1089"},"PeriodicalIF":2.4,"publicationDate":"2024-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.6707","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141376270","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}
{"title":"Correction to “cross striation in human permanent and deciduous enamel measured with confocal Raman microscopy”","authors":"","doi":"10.1002/jrs.6708","DOIUrl":"10.1002/jrs.6708","url":null,"abstract":"<p>\u0000 <span>Desoutter, A</span>, <span>Slimani, A</span>, <span>Al-Obaidi, R</span>, et al. <span>Cross striation in human permanent and deciduous enamel measured with confocal Raman microscopy</span>. <i>J Raman Spectrosc</i>. <span>2019</span>; <span>50</span>: <span>548</span>–<span>556</span>. https://doi.org/10.1002/jrs.5555</p><p>Rand Al-Obaidi was listed as third author in the article and below is the additional affiliation of the author.</p><p><span>College of Dentistry, Mustansiriyah University, Iraq</span></p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 7","pages":"849"},"PeriodicalIF":2.4,"publicationDate":"2024-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.6708","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141386993","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}
{"title":"Structure–spectrum relationship in the calculated Raman spectra of silicates","authors":"Mohammad Bagheri, Hannu-Pekka Komsa","doi":"10.1002/jrs.6686","DOIUrl":"10.1002/jrs.6686","url":null,"abstract":"<p>Silicate minerals have a rich structural variety consisting of silicon oxide clusters or networks of any dimensionality interdispersed with different types of elements, which is reflected in marked changes in the Raman spectra. Understanding how the changes in the Raman spectra are correlated with the atomic structure would be highly desirable for fast material identification and analysis. Extracting such trends from experimental spectra can be difficult owing to the uncertainties in the structural details of the samples and in ensuring consistency between measurements from different sources. Simulated spectra, however, avoid these problems, making them a good candidate for systematic studies. Here, we study the correlation between the structure and Raman spectral features of 179 silicates derived from a database of Raman spectra simulated using first-principles calculations. We investigate the spectral similarities with a specific emphasis on materials containing isolated 0D clusters in nesosilicate (SiO<sub>4</sub>), sorosilicate (Si<sub>2</sub>O<sub>7</sub>), and cyclosilicate (Si<sub>3</sub>O<sub>9</sub> and Si<sub>4</sub>O<sub>12</sub>) configurations. While trends identified in the previous reports can be confirmed, we find that the variations within each group of similar structural motifs tend to be larger than the changes across groups, and therefore, developing a reliable automated classification algorithm is likely to be challenging.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 10","pages":"1113-1123"},"PeriodicalIF":2.4,"publicationDate":"2024-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.6686","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141272172","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}
Maria Nikopoulou, Stefanos Karampelas, Evangelia Tsangaraki, Lambrini Papadopoulou, Christos Katsifas, Ioannis Nazlis, Annareta Touloumtzidou, Vasilios Melfos, Nikolaos Kantiranis
{"title":"Study of green‐coloured gems of the Roman period from the collections of the Archaeological Museum of Thessaloniki (Greece) and their possible geographic origin","authors":"Maria Nikopoulou, Stefanos Karampelas, Evangelia Tsangaraki, Lambrini Papadopoulou, Christos Katsifas, Ioannis Nazlis, Annareta Touloumtzidou, Vasilios Melfos, Nikolaos Kantiranis","doi":"10.1002/jrs.6701","DOIUrl":"https://doi.org/10.1002/jrs.6701","url":null,"abstract":"The study of gems in jewellery of the Roman period from known archaeological contexts may provide valuable information for the trading routes of gems in antiquity, the techniques of their manufacture and decoration, the popularity of certain gems or their relation to a specific type of jewellery. Moreover, by the correct identification of these gems, the museum will better inform its public. In the present work, 19 green‐coloured gems, which were integral parts of 14 Roman jewellery pieces, dated between the first and fourth century CE, from the collections of the Archaeological Museum of Thessaloniki in Greece, were studied. Most samples were found during rescue excavations in western and eastern Roman cemeteries of Thessaloniki, while one was found in Edessa, a city in northern Greece. All samples were investigated by using strictly non‐destructive techniques, for example, optical microscope as well as Raman and Vis‐NIR mobile instruments. For the chemical characterisation of the samples, micro‐EDXRF was used. Seventeen samples were identified as natural emeralds with characteristics similar to emeralds that originate from Egypt. Among the studied samples, a natural chrome chalcedony and an artificial glass were also identified. The geographic origin of the artificial glass is unknown and that of chrome chalcedony is under discussion with Turkey being the most possible source.","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"43 1","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141194416","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}
Yijia Wang, Binbin Wu, Jingyi Liu, Xu Jia, Yue Li, Benqiong Liu, Leiming Fang, Li Lei
{"title":"Raman study of P–T phase diagram for U3O8","authors":"Yijia Wang, Binbin Wu, Jingyi Liu, Xu Jia, Yue Li, Benqiong Liu, Leiming Fang, Li Lei","doi":"10.1002/jrs.6705","DOIUrl":"10.1002/jrs.6705","url":null,"abstract":"<p>Raman spectroscopy is very sensitive to the U-O bonding strength changes under high pressure, and it could reveal important information about the bonding and stoichiometry of the U-O systems. The pressure and temperature (<i>P–T</i>) phase diagram of U<sub>3</sub>O<sub>8</sub> was investigated by Raman spectroscopy via four independent <i>P–T</i> experimental paths. The phase boundaries between different phases have been determined by the changes in Raman spectra. A new phase (<i>α</i>′-U<sub>3</sub>O<sub>8</sub>) was observed below 233 K at 0.6 GPa or 198 K at zero pressure accompanied by the discontinuities in Raman wavenumber and the new shoulder peak near the B<sub>2</sub><sup>(6)</sup> Raman modes. Upon compressing at low temperature (123 K), the high-pressure irreversible phase transition from orthorhombic to cubic structure (<i>α</i>′<i>-δ</i>) was observed at around 11.3 GPa, evidenced by the merging of B<sub>2</sub><sup>(6)</sup> and B′<sub>2</sub><sup>(6)</sup> Raman modes.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 9","pages":"997-1009"},"PeriodicalIF":2.4,"publicationDate":"2024-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141194358","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}
Liguang Wang, Xiaoxia Huang, Changming Zhu, Xiaofei Su, Guibo Yu, Pinyi Zeng, Changhao Jiang, Yishuang Wang
{"title":"Modulation on structure and electric properties by tantalum of lead-free NaNbO3 ceramics","authors":"Liguang Wang, Xiaoxia Huang, Changming Zhu, Xiaofei Su, Guibo Yu, Pinyi Zeng, Changhao Jiang, Yishuang Wang","doi":"10.1002/jrs.6706","DOIUrl":"10.1002/jrs.6706","url":null,"abstract":"<p>The variation of structural and electric properties is investigated via different characterization methods for NaNbO<sub>3</sub> ceramics modified with Ta<sup>5+</sup> ions. At room temperature, substitution of Ta<sup>5+</sup> ions can effectively induce the phase coexistence and transition between orthorhombic antiferroelectric P and orthorhombic ferroelectric Q phase in NaNb<sub>1-<i>x</i></sub>Ta<sub><i>x</i></sub>O<sub>3</sub> ceramics. Thus, the ferroelectric and piezoelectric properties could be regulated with the maximum value of <i>d</i><sub>33</sub> (~37.3) at <i>x</i> = 0.05. Besides, with increasing temperature, multiple phase transitions are demonstrated through dielectric, XRD, and in situ Raman results. Moreover, the temperature of various phase transitions gradually shifts toward lower temperature with increasing Ta<sup>5+</sup> ions. Correspondingly, the modulation mechanism is also discussed based on the evolution of Raman vibration. This work is instructive for regulatable applications of NaNbO<sub>3</sub>-based materials.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 9","pages":"1010-1018"},"PeriodicalIF":2.4,"publicationDate":"2024-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141194420","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}
Yu Du, Xiangxiang Zheng, Guodong Lv, Longfei Yin, Guohua Wu, Zhaonan You
{"title":"Detection of cystic and alveolar echinococcosis based on tissue surface-enhanced Raman spectroscopy combined with deep learning","authors":"Yu Du, Xiangxiang Zheng, Guodong Lv, Longfei Yin, Guohua Wu, Zhaonan You","doi":"10.1002/jrs.6683","DOIUrl":"10.1002/jrs.6683","url":null,"abstract":"<p>Echinococcosis chiefly includes cystic and alveolar echinococcosis, which is a parasitic disease. It is very important to find a quick and non-staining method to determine whether a tissue sample has echinococcosis lesions; it is not only conducive to the diagnosis of echinococcosis but also conducive to the judgment after surgery. In the study, tissue surface-enhanced Raman spectroscopy (SERS) in combination with deep learning was used to classify cystic and alveolar echinococcosis and healthy controls. Silver nanoparticles served as SERS-enhanced substrates, and a large amount of tissue SERS spectra was collected. There were 24 cases of cystic echinococcosis tissue, 14 cases of alveolar echinococcosis tissue, and 21 cases of healthy control tissues, and the numbers of SERS spectra collected were 594, 410, and 990, respectively, for a total of 1994 spectra. The convolutional neural network (CNN) was used to categorize SERS spectra into three types. Four other common machine learning classification algorithms were compared with the CNN model to highlight the classification effect of the CNN model. The results show that the model with the best effect is the CNN model, whose accuracy reaches 95%. Therefore, SERS combined with the CNN model has great potential for distinguishing the tissues of cystic and alveolar echinococcosis.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 9","pages":"967-974"},"PeriodicalIF":2.4,"publicationDate":"2024-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141194335","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}