{"title":"Evaluating the thermal stability of hazelnut oil in comparison with common edible oils in Turkey using ATR infrared spectroscopy","authors":"Gulgun Cakmak-Arslan , Kubra Gulsen","doi":"10.1016/j.vibspec.2024.103743","DOIUrl":"10.1016/j.vibspec.2024.103743","url":null,"abstract":"<div><div>Hazelnut oil (HO), a high-quality nutrient rich in monounsaturated fatty acids and antioxidants, is not commonly used due to a lack of awareness of its nutritional benefits. The purpose of the current study is to evaluate the stability of HO during the heating process in comparison with Riviera olive, sunflower and corn oils, the most commonly used edible oils in Turkey, by using Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR). The oils were heated at 180 °C for 24 h, divided into 8-h periods over the course of three days and the measurements were performed on oil samples taken every 2 h. Thermogravimetric analysis-differential thermal analysis (TGA-DTA) and the measurement of the specific absorbance of conjugated dienes and trienes by using UV–visible spectroscopy were also performed to confirm the ATR-FTIR data. The spectroscopic results showed that the heating process led to an increase in the amount of primary and secondary oxidation products, a decrease in the amount of cis fatty acids and an increase in the amount of trans fatty acids in all oils. Based on the results of linear regression analysis, HO has the lowest slope value for all parameters, indicating that it is the most resistant to thermal oxidation. Principal Component Analysis (PCA), Hierarchical Cluster Analysis (HCA) and TGA-DTA results confirmed that HO has a higher thermal stability than the other oils. These findings revealed that HO has the highest thermal stability among the oils compared and can be utilized as a healthy alternative for cooking. This study also showed that ATR-FTIR spectroscopy holds significant promise in oil analysis, competing with routine quality control techniques.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"135 ","pages":"Article 103743"},"PeriodicalIF":2.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142572689","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-Yu Zheng , Xiao-Yan Yu , Bo Xu , Hong-Shu Guo , Si-Yi Zhao , Jun Tang , Ying Yan , Yu-Jie Gao
{"title":"New insights of emerald geographic origin determination based on the infrared spectroscopy of D2O and HDO molecules","authors":"Yu-Yu Zheng , Xiao-Yan Yu , Bo Xu , Hong-Shu Guo , Si-Yi Zhao , Jun Tang , Ying Yan , Yu-Jie Gao","doi":"10.1016/j.vibspec.2024.103746","DOIUrl":"10.1016/j.vibspec.2024.103746","url":null,"abstract":"<div><div>Emerald geographic origin determination in laboratories typically relies on the microscopic features of inclusions, ultraviolet through visible and near-infrared (UV-Vis-NIR) spectroscopy, and trace element chemistry measured by laser ablation–inductively coupled plasma–mass spectrometry (LA-ICP-MS). Infrared (IR) spectroscopy, a non-destructive technique, has played a minor role in this process. This work conducts a systematic examination of emerald samples from twelve origins, encompassing spectroscopic, and trace element analyses. For the first time, IR absorptions related to D<sub>2</sub>O and HDO molecules within the 2600–2850 cm<sup>–1</sup> range from multiple origins (333 emerald samples) were recorded, assigned, and classified. These IR absorptions, controlled by the concentrations of deuterium (D) and alkali metals (primarily sodium) within channels, reveal three distinct patterns and derived four groups that serve as strong evidence for origin determination. Emeralds from Zambia group display the most prevalent HDO-dominant IR-pattern I characterized by the pronounced absorption peak of Type II HDO at 2672 cm<sup>–1</sup>; Panjshir (Afghanistan) and Swat (Pakistan) emeralds exhibit the transitional type IR-Pattern II with overall five peaks and obvious 2808 cm<sup>–1</sup> peak; D<sub>2</sub>O-dominant IR-Pattern III is featured by marked absorption band at 2740 cm<sup>–1</sup>, and can be further subdivided into two subtypes (IIIa and IIIb). IR-Pattern IIIb is currently only found in Nigerian emeralds, characterized by strong broad band of Type I D<sub>2</sub>O due to enriched deuterium and obvious absorption of Type I HDO at 2685 cm<sup>–1</sup> due to depleted sodium. Furthermore, this research updates the classification of UV-Vis-NIR spectra, unveils the trace element features, and presents effective compositional diagrams. This contribution enriches and expands existing techniques and provides new insights for emerald origin determination.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"135 ","pages":"Article 103746"},"PeriodicalIF":2.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593701","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}
Fan Yang , Jing Zhao , Zhengang Wu , Yingna Wei , Hengyong Wei , Jingwu Li , Bo Li
{"title":"Preparation and characterization of 5-fluorouracil drug cocrystal and its dynamic monitoring of cocrystallization process via SERS spectroscopy","authors":"Fan Yang , Jing Zhao , Zhengang Wu , Yingna Wei , Hengyong Wei , Jingwu Li , Bo Li","doi":"10.1016/j.vibspec.2024.103749","DOIUrl":"10.1016/j.vibspec.2024.103749","url":null,"abstract":"<div><div>Cocrystal is a new class of pharmaceutical crystal form, which could improve the physical and chemical properties of drug substance without affecting the internal structure of drug substance. Therefore, the cocrystals show a great deal of potential in the development and research of drugs. 5-Fluorouracil (5-FU) is one of the most widely used anti-pyrimidine drugs. However, its solubility is poor and its oral bioavailability is low. In this work, the cocrystal of 5-FU with nicotinamide was prepared by the solvent evaporation method. The cocrystal structure was confirmed by infrared spectroscopy (IR), X-ray diffraction (XRD) and Raman spectroscopy. The X-ray diffraction and infrared spectroscopy presented that there were significantly different peaks between the raw drug and the cocrystal. Raman spectral results also indicated the differences of such cocrystal compared with the raw drug. In addition, TiN-Ag composite SERS substrate was used to study the formation of 5-FU cocrystal drugs and the formation process was dynamically monitored, and the interaction between molecules during the cocrystal reaction was deeply understood. The cocrystal reaction process was tracked, it can be found that the peak intensity of the raw drug and cocrystal changes with the reaction, indicating that the TiN-Ag composite substrate can monitor the cocrystal transformation process.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"135 ","pages":"Article 103749"},"PeriodicalIF":2.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142706901","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}
Qinru Ni , Yehao Zuo , Zhaoxing Zhi , Youming Shi , Gang Liu , Quanhong Ou
{"title":"Diagnosis of corn leaf diseases by FTIR spectroscopy combined with machine learning","authors":"Qinru Ni , Yehao Zuo , Zhaoxing Zhi , Youming Shi , Gang Liu , Quanhong Ou","doi":"10.1016/j.vibspec.2024.103744","DOIUrl":"10.1016/j.vibspec.2024.103744","url":null,"abstract":"<div><div>Corn is among the world's most vital crops, yet its yield and quality are often compromised by leaf diseases. Timely and accurate detection of such diseases is thus crucial. In this study, Fourier-transform infrared (FTIR) spectra (4000–400 cm⁻¹) were obtained for leaves afflicted by northern corn leaf blight (NCLB) and gray leaf spot (GLS), alongside spectra from healthy corn leaves as controls. Various machine learning-based classification models were then developed to facilitate precise disease diagnosis. To reduce redundancy and extract pertinent spectral information, the variable importance projection (VIP) algorithm and random leapfrog (RF) method were employed for feature selection. The resulting spectral features were subsequently used as inputs for the classification models. Of the twelve models evaluated, the VIP-KNN model demonstrated the most exceptional performance. While the original FTIR spectrum comprised 1867 data points, the VIP-KNN model achieved classification using only 615 critical data points, delivering an accuracy of 97.46 %, sensitivity of 96.08 %, and precision of 95.96 %. This highlights how the feature selection approach mitigated overfitting and substantially enhanced the model's classification accuracy. The findings of this research underscore the potential of combining FTIR spectroscopy with machine learning for the effective diagnosis of corn leaf diseases, the accuracy of this detection method is high, and the average accuracy of the model is as high as 93.41 %.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"135 ","pages":"Article 103744"},"PeriodicalIF":2.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142554635","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}
Yian Wang , Peipei Fang , Hongpeng Wang , Yingjian Xin , Xinru Yan , Mingkang Duan , Zhiping He , Xiong Wan
{"title":"Discovery of calcium sulfate at different hydration states on Mars - based on perseverance SHERLOC analysis","authors":"Yian Wang , Peipei Fang , Hongpeng Wang , Yingjian Xin , Xinru Yan , Mingkang Duan , Zhiping He , Xiong Wan","doi":"10.1016/j.vibspec.2024.103745","DOIUrl":"10.1016/j.vibspec.2024.103745","url":null,"abstract":"<div><div>Organic matter on planets is often co-deposited with evaporites, and evaporation of lakes in the Jezero region of Mars may have led to the deposition of abundant organic matter and minerals such as sulfates, making sulfates important minerals for preserving the remains of potential life on Mars, especially in different hydration states, will help to invert the variability of the Martian environment and provide guidance for the exploration of life on Mars. Raman spectroscopy can detect the molecular composition of organic matter and acid anion information of the target of interest, thus enabling in situ analysis of life information and its living environment. In order to realize the detection of life remains on Mars, The Perseverance rover is equipped with SHERLOC in situ material detection payload, which adopts a 248.6 nm deep ultraviolet (DUV) laser to simultaneously excite Raman and fluorescence signals of the target. In this paper, five scans in three modes (survey scan, HDR scan and detail scan) from two sites on Mars (Quartier and Bellegarde) were selected for preliminary analysis, and the presence of sulfate minerals at these two sites was confirmed. The detail scans at Quartier were analyzed in depth, and the presence of four calcium sulfate minerals, gypsum (CaSO<sub>4</sub>∙2 H<sub>2</sub>O), bassanite (CaSO<sub>4</sub>∙0.5 H<sub>2</sub>O), anhydrite (β-CaSO<sub>4</sub>) and gamma-calcium sulfate (γ-CaSO<sub>4</sub>)was inferred from the states of ν<sub>1</sub> (SO<sub>4</sub>), ν<sub>3</sub> (SO<sub>4</sub>) and hydrated peaks. The differences in the degree of hydration of calcium sulfate minerals suggest that there may have been active water activity on Mars. By comparing data collected by SHERLOC with spectra from spectral libraries, the composition of small-scale structures on Mars may be assessable. However, due to the complexity of the Martian geology, more accurate water activity will need to be combined with more detailed ions, temperatures, humidity, and other conditions for a more precise analysis.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"135 ","pages":"Article 103745"},"PeriodicalIF":2.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652432","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}
Zeynep Ceylan , Devrim Sarıbal , Hasan Mırsal , Joanna Depciuch , Joseph Cebulski , Zozan Guleken
{"title":"Exploring the impact of opioids on serum chemistry: Insights from FT-Raman spectroscopy and biochemical analysis","authors":"Zeynep Ceylan , Devrim Sarıbal , Hasan Mırsal , Joanna Depciuch , Joseph Cebulski , Zozan Guleken","doi":"10.1016/j.vibspec.2024.103742","DOIUrl":"10.1016/j.vibspec.2024.103742","url":null,"abstract":"<div><div>Opioids are drugs whose use has increased dramatically over the last two decades. Opioids are a family of drugs that includes the illegal drug heroin, synthetic opioids such as fentanyl, and painkillers that are legally available on prescription. Unfortunately, too long use of these drugs can lead to addiction, which might cause disturbed physiological and mental effects. Regular opioid usage might cause common mental disorders such as depression, anxiety, and panic disorder. However, there is still no rapid detection method to describe the chemical changes caused by the Opioid use disorder. For this reason, this study used conventional FT-Raman spectroscopic techniques with multivariate analysis to detect chemical changes in serum following opiate administration. In the FT-Raman spectrum collected from opioid-addicted patients, significant shifts of peaks at 892 cm<sup>−1</sup>, 966 cm<sup>−1</sup>, 1286 cm<sup>−1</sup>, 1459 cm<sup>−1</sup> and 2940 cm<sup>−1</sup> were visible in comparison with the spectrum of serum collected from the control group. Furthermore, changes in the ratio of amides and lipids were observed in the non-control group, suggesting that opioids could cause structural changes in the compounds. Synchronous spectra show auto peaks at 2914 cm<sup>−1</sup>, 3415 cm<sup>−1</sup> while asynchronous negative cross area between 1005 cm<sup>−1</sup> and 1800 cm<sup>−1</sup> and around 3000 cm<sup>−1</sup> indicate higher presence of polysaccharides and amides in comparison with other compounds in serum collected from non-control group. Finally, the PCA model, utilizing three components that explain 94.89 % of the data variation within the 300–3700 cm⁻¹ range, demonstrates excellent performance. The ensemble classification method achieves accuracies of 97.96 % and 95.00 % on the training and test datasets, respectively. Furthermore, the method achieves AUC-ROC scores of 1.00 and 0.99 for the training and test sets, effectively distinguishing between control and opioid-addicted individuals.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"135 ","pages":"Article 103742"},"PeriodicalIF":2.7,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142533624","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":"Application of Attenuated Total Reflectance Fourier-Transform Infrared Spectroscopy in Human Sera: Validate the method for contributing effective strategy for the storage and preservation","authors":"Juthamas Jaimanee , Patutong Chatchawal , Molin Wongwattanakul , Supranee Phantanawiboon , Chanvit Leelayuwat , Amonrat Jumnainsong","doi":"10.1016/j.vibspec.2024.103741","DOIUrl":"10.1016/j.vibspec.2024.103741","url":null,"abstract":"<div><div>The serum is one of the biological specimens that have been extensively studied as biomarkers and is recognized as an effective tool for screening and diagnosing a variety of diseases. Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR) is a practical technique utilized in investigating characteristic spectra in infectious diseases cancer, and metabolic status. However, the pre-analytical procedure as storage condition is a crucial phase that directly impacts the accuracy of the result. In this study, we intend to investigate the effects of serum stabilization under both identical and distinct storage conditions on the FTIR spectral patterns, intensity variations, and macromolecule composition. The ten serum samples were stored in 3 different conditions including 4 °C, −20°C, and −80°C for six different time intervals (7, 14, 21, 28, 56, and 84 days). The spectra were obtained by ATR-FTIR spectroscopy. The serum stabilization was studied in two investigations: one focusing on the stability of serum under identical conditions over six different time intervals, and the other examining the stability of serum stored under three distinct conditions. Principal Component Analysis (PCA) and Area Under the Peak (AUP) were used to investigate clusters in different sets of data across five spectral ranges. The macromolecule composition was identified in conjunction with the intensity measurements. The results showed that the same conditions remained stable across six different time intervals, as indicated by the consistent PCA results. In contrast, the stabilization of serum under different temperature condition showed different major intensities across the five selected positive bands, including 1781 cm<sup>−1</sup>, 1740 cm<sup>−1</sup> 1727 cm<sup>−1</sup> corresponding to lipid region (1800–1700 cm<sup>−1</sup>), and Amide region (1700 −1500 cm<sup>−1</sup>) at 1646 cm<sup>−1</sup>, and 1632 cm<sup>−1</sup>, when the serum was stored over 28 days. This might involve lipid peroxidation-induced changes in the secondary structure of proteins. Our findings indicated that serum should be stored at −80°C to ensure stabilization and achieve the highest intensity. Additionally, preserving serum under consistent conditions was crucial to minimize variability and prevent external factors from affecting the results.</div></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"135 ","pages":"Article 103741"},"PeriodicalIF":2.7,"publicationDate":"2024-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142426051","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}
Damascene Nteziryayo , Zhenhua Wang , Ran An , Hongyan Qian , Gao Baoyao , Min Liang , Zijun Liu , Xingyao Chen , Xinshe Liu , Tao Li
{"title":"Forensic significance of decay-related spectral changes in ante-mortem and post-mortem injuries using ATR-FTIR spectroscopy","authors":"Damascene Nteziryayo , Zhenhua Wang , Ran An , Hongyan Qian , Gao Baoyao , Min Liang , Zijun Liu , Xingyao Chen , Xinshe Liu , Tao Li","doi":"10.1016/j.vibspec.2024.103740","DOIUrl":"10.1016/j.vibspec.2024.103740","url":null,"abstract":"<div><p>Every year, more than 5 million deaths are attributed to injuries worldwide. However, accurately identifying and distinguishing the types of injuries in decomposed corpses is a significant challenge in forensic identification. Determining the cause of death in cases involving decomposed cadavers is particularly difficult, because traditional methods often lack conclusive evidence. To address this gap, this study aimed to explore the potential of attenuated total reflection/Fourier-transform infrared (ATR-FTIR) spectroscopy in analyzing the molecular composition changes in tissue samples from putrefied corpses. To simulate different environmental conditions, 54 experimental mice were randomly divided into three groups: ante-mortem injury (AI), post-mortem injury (PI), and non-injury (NI) groups, and their bodies were monitored at different time points. Subsequently, we conducted comprehensive analyses of these tissue samples using ATR-FTIR. The results indicate that under winter conditions, PC1 explained 78.3 % of the variance, whereas PC2 explained 15.4 %. Similarly, under summer conditions, PC1 explained 75.3 % of the variance, whereas PC2 explained 16.1 %. The results under both conditions, the AUC values of the ROC curve exceeded 0.9, indicating the reliability and accuracy of this method in discriminating ante-mortem injuries from post-mortem injuries on decomposed bodies, highlighting its significance in forensic investigations. This demonstrates the capability of ATR-FTIR technology to identify distinct molecular changes linked to ante-mortem and post-mortem injuries in decomposed corpses. The findings of this study underscores the forensic significance of understanding the molecular composition changes in decomposed cadavers. Therefore, ATR-FTIR is a valuable tool for differentiating ante-mortem and post-mortem injuries while also considering environmental factors.</p></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"135 ","pages":"Article 103740"},"PeriodicalIF":2.7,"publicationDate":"2024-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142238327","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":"Efficient identification and distinction of musgravite and taaffeite with the utilization of ATR-FTIR spectroscopy and Raman spectroscopy","authors":"Pimthong Thongnopkun","doi":"10.1016/j.vibspec.2024.103733","DOIUrl":"10.1016/j.vibspec.2024.103733","url":null,"abstract":"<div><p>Taaffeite (BeMg<sub>3</sub>Al<sub>8</sub>O<sub>16</sub>) and musgravite (Be(Mg,Fe,Zn)<sub>2</sub>Al<sub>6</sub>O<sub>12</sub>) are two of the rarest gem kinds worldwide, and their scarcity greatly enhances their extraordinary worth. Due to their nearly matched physical properties, discriminating between the two gems using basic gemological equipment will be exceedingly difficult, considering that they both belong to the same mineral family. Distinguishing between these two categories is crucial due to the substantial variation in their rarity levels, which greatly impacts on their market pricing. Nevertheless, there is a lack of published data in the scientific literature about the spectroscopic characterization of musgravite and taaffeite.</p><p>In this article, ATR-FTIR spectroscopy successfully distinguished Tanzanian musgravite from taaffeite for the first time. In addition, Raman spectroscopy and EPMA are employed for the identification of musgravite and taaffeite specimens. The EPMA results confirm that the Tanzanian gems under investigation have similar elemental compositions to those of the same kinds of stones discovered from other sources. The peaks observed in the ATR and Raman spectra serve as indicators for distinguishing between musgravite and taaffeite gemstones, with the goal of simplifying the identification process. The ATR and Raman spectra of musgravite and taaffeite are comprehensively analyzed and found to be achievable. The main Raman bands used to identify Tanzanian musgravite are situated at 412 and 713 cm<sup>−1</sup>, whereas for taaffeite, the significant bands were detected at 416 and 761 cm<sup>−1</sup>. The distinct ATR bands observed at 773 cm<sup>−1</sup>, corresponding to the vibration of Al–O, can be efficiently utilized as indications to differentiate Tanzanian musgravite from taaffeite. The results prove that ATR-FTIR spectroscopy, like Raman spectroscopy, is a very effective non-invasive method for rapidly distinguishing these precious gemstones.</p></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"135 ","pages":"Article 103733"},"PeriodicalIF":2.7,"publicationDate":"2024-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142167535","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}
Guo Xia , Qingfa Pan , Qin Pan , Yanduo Li , Defeng Yu , Jianfei Zhu
{"title":"Dual-channel Raman spectrometer device based on multi-field-of-view spectrometer for on-line detection","authors":"Guo Xia , Qingfa Pan , Qin Pan , Yanduo Li , Defeng Yu , Jianfei Zhu","doi":"10.1016/j.vibspec.2024.103732","DOIUrl":"10.1016/j.vibspec.2024.103732","url":null,"abstract":"<div><p>High-throughput on-line Raman detection has become commonplace in pharmaceutical and PAT. This has increased the demand for efficient, parallel spectral detection. In this work, a method of adjusting the optical structure parameters through multi-field theory is proposed to realize the detector accepting two spectral information from the light source at the same time. By combining two Raman probes and two customized Y-fibers, Raman spectra of two samples at the same laser power can be acquired simultaneously online. Compared with the multi-channel Raman spectroscopy detection system based on microscope device and multiple Raman spectroscopy coupling system, the measurement time and cost are greatly reduced. Thus, dual-channel Raman spectroscopy detection devices provide a cost and time-saving method for modern high-throughput on-line Raman detection.</p></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"134 ","pages":"Article 103732"},"PeriodicalIF":2.7,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142122925","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}