Journal of Spectroscopy最新文献

{"title":"Microstructural Changes of Bone after Soft Tissue Removal: ATR-FTIR and XRD Spectroscopies","authors":"M. A. Alebrahim, Mohammed-Ali Al-Akhras, A. S. Al-Hiyasat, Ali S. Ba rajjash, M. Mousa, Abdulla S. Al Darayseh","doi":"10.1155/2023/6599002","DOIUrl":"https://doi.org/10.1155/2023/6599002","url":null,"abstract":"The structural alterations that may arise in boiled and nonboiled bones are often overlooked despite their critical importance in the development of defleshing techniques across various scientific disciplines. To elucidate the microstructural characteristics of bones following the removal of soft tissue through conventional methods, attenuated total reflectance Fourier-transform infrared (ATR-FTIR) and X-ray diffraction (XRD) spectroscopies were employed. Our findings indicate that the boiled water method resulted in higher crystallinity, as evidenced by the FTIR data, whereas the XRD data revealed the opposite. This underscores the notion that a direct comparison between these two techniques is unfeasible as they measure distinct crystallinity parameters. In addition, the cold water maceration method caused a significant reduction in collagen crosslinking, as evidenced by the lower index observed.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2023-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75898059","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Quick Determination of Soil Quality Using Portable Spectroscopy and Efficient Multivariate Techniques","authors":"E. Teye, C. Amuah, K. Atiah, R. Darko, Thomas Abindaw, K. Amoah, M. Miyittah, E. Afutu, Rebecca Owusu","doi":"10.1155/2023/2024318","DOIUrl":"https://doi.org/10.1155/2023/2024318","url":null,"abstract":"Rapid and onsite determination of the soil status and quality parameters holds a brighter potential for improving food security, and minimizing waste of the excessive application of soil amendments hence reducing environmental pollution. In this study, a pocket-sized shortwave NIR spectroscopy (740–1070 nm) and multivariate statistics were used to classify soil from different land-use types and simultaneously predict nitrogen (N), phosphorus (P), potassium (K), calcium (Ca2+), magnesium (Mg2+), and pH in Ghana. Different Algorithms. Linear discriminant analysis (LDA), support vector machine (SVM), and partial least squares algorithms (full-range partial least square, FrPLS; interval partial least squares, IPLS; synergy interval partial least squares, Si-PLS) were attempted for building a suitable classification and quantification model. The models were assessed by the classification rate, coefficient of determination (Rp2), and root mean square error of prediction (RMSEP) in the prediction set. A total of 110 soil samples from 0 to 15 cm, 15 to 30 cm, and 30 to 45 cm layers were collected from the field of different land-use cropping systems. The results obtained showed that SVM had a 98.61% classification rate of the soil from the cropping system. While Si-PLS was superior in predicting N, P, K, Mg2+, Ca2+, and pH. The performance of the Si-PLS model for N, P, K, Mg2+, Ca2+, and pH were 0.571, 0.779, 0.910, 0.778, 0.826, and 0.904 for Rp2 and 0.033%, 0.738 mg·kg−1, 0.117 cmol·kg−1, 0.654 cmol·kg−1, 3.0219 cmol·kg−1, and 0.4760 pH unit for RMSEP, respectively. The results revealed that the portable NIR spectroscopic technique could be used to measure the soil status and some quality parameters. However, further studies are needed to proof its application. This could lead to improving the yield and saving the cost of fertilizer application.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2023-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85055214","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of Laser Heating on Partial Decomposition of Bi12SiO20 (BSO) Single Crystal: Raman Study","authors":"N. Romčević, B. Hadžić, Marija Prekajski Đorđević, Peda Mihailovic, M. Curcic, J. Trajic, J. Mitrić, M. Romčević","doi":"10.1155/2023/5490018","DOIUrl":"https://doi.org/10.1155/2023/5490018","url":null,"abstract":"The effect of laser (532 nm line of Verdi G) heating during the Raman measurements, on partial decomposition of Bi12SiO20 single crystal, was addressed in this study. The degree of decomposition directly depends on the power density and duration of the laser treatment, which are registered by the phonon Raman spectra. After laser treatment, AFM measurements register additional small spherical islands on the surface. Analysis performed on irradiated and unirradiated samples showed significant changes in transmission spectra, X-ray diffraction (XRD) pattern, Verdet constant, magneto-optical property, and absorption coefficient. The material obtained after laser irradiation can be described as specific nanocomposite consisting of bismuth oxide and silicon oxide-based nano-objects (dimensions below 15 nm in diameter), which are arranged in a matrix of Bi12SiO20.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2023-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76225473","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multivariate Image Analysis Applied to Cross-Laminated Timber: Combined Hyperspectral Near-Infrared and X-ray Computed Tomography","authors":"Dietrich Buck, O. Hagman","doi":"10.1155/2023/3954368","DOIUrl":"https://doi.org/10.1155/2023/3954368","url":null,"abstract":"Engineered wood products, such as cross-laminated timber (CLT), are becoming more popular in the designs of modern sustainable buildings. This increased production of CLT requires more robust, yet less labour-intensive means to assess the material characteristics of whole CLT panels. In exploring ways of improving efficiency, this study explores multivariate image analysis (MIA) via partial least squares discriminant analysis (PLS-DA) machine learning as a means to classify CLT material features. CLT panels underwent nondestructive testing using near-infrared (NIR) hyperspectral imaging and X-ray computed tomography (CT) analysis. MIA was performed on these results to build predictive models for wood features, such as fibre alignment and knot type. The models showed that it was possible to classify material features on the surface of CLT using NIR alone; whilst when combined with X-ray data, it enhanced the predictive ability of material features throughout the CLT volume. These first results from such modelling have the potential to help map the chemical and physical material properties of CLT, improving the manufacturing efficiency of the product and allowing greater sustainability of engineered wood products.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2023-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88662822","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optical Design and Simulation of Snapshot Hyperspectral Dental Imaging Spectrometer with One-Dimensional Random Coding","authors":"Jiajing Cao, Jun Chang, Yi Huang, Wenxi Wang, Xinran Guo, Shangnan Zhao","doi":"10.1155/2023/9187229","DOIUrl":"https://doi.org/10.1155/2023/9187229","url":null,"abstract":"To achieve perfect teeth color reproduction, we propose the design of a snapshot hyperspectral imaging spectrometer that can accurately measure the teeth spectrum. In this paper, the optical system of a snapshot hyperspectral dental imaging spectrometer is designed. In particular, to encode images in both the spatial and spectral dimensions, a one-dimensional random coding mask rotated 45 degrees around the optical axis is used. The system has a spectral resolution of approximately 2.2∼10 nm in the 450∼700 nm spectral range, and the total length of the system is less than 150 mm. The whole design can be used as a miniaturized handheld instrument. To verify the feasibility of whiteness measuring, a simulation experiment is carried out. The target spectral information is reconstructed through the reconstruction algorithm. The simulation result shows that spectral imaging has the potential to improve the accuracy and precision of teeth whiteness measurements.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-04-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135613680","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The Ultraviolet-Visible Luminescence of Ce3+ in Ca2Mg(BO3)2 Phosphors with Potential Applications","authors":"Jing-Xiang Zhang, Yanru Lin, Huihong Lin","doi":"10.1155/2023/2393285","DOIUrl":"https://doi.org/10.1155/2023/2393285","url":null,"abstract":"New phosphors Ca2Mg(BO3)2: Ce3+ were synthesized by the solid-state reaction method at a high temperature. The phase purity was characterized by powder X-ray diffraction (XRD). The ultraviolet-visible (UV-Vis) optical properties of Ce3+ have been investigated, and the lowest 5d levels, the emission, and the Stokes shifts of Ce3+ in the host lattice were identified. In addition, its concentration quenching process was also studied. The results show that Ce3+ ions enter Ca2+ sites with only one emission in a UV-Vis range and that the optimum doping concentration is x = 0.05. The excitation and emission spectra were evaluated to clearly reveal luminescence features.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2023-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88792275","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study of the Hydration Mechanism of Portland Cement with Raman Spectroscopy Applying CO2 Laser Radiation","authors":"D. Quiroz-Portillo, I. Rosales-Candelas, J. J. Soto-Bernal, R. González-Mota, G. Vázquez","doi":"10.1155/2023/9911266","DOIUrl":"https://doi.org/10.1155/2023/9911266","url":null,"abstract":"This work presents the results by irradiating fresh Portland cement pastes with CO2 laser, at powers of 1.6, 2.0, and 2.4 W, at different water-to-cement (w/c) ratios 0.4, 0.45, and 0.5. Raman spectra show the evolution and accelerated growth of the main hydration products through the intensity changes of the Raman signal. The Raman shifts reveal that the C-S-H, CH, AFt, and CaCO3 bands are detected in a shorter time, which means that the setting times are also reduced. The detected band of calcium carbonate, which is due to the incorporation of limestone during the grinding process, shows that it is responsible largely for the acceleration in the reactions during the hydration of the cement. The Raman signals of the hydration products of nonirradiated cement pastes present a delay in their evolution with respect to the irradiated pastes. The curves obtained from the Raman spectra can be used to model the mechanism of hydration as well as to understand the setting process.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2023-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85256857","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study of the Binding of Cuminaldehyde with Bovine Serum Albumin by Spectroscopic and Molecular Modeling Methods","authors":"Mohd. Sajid Ali, M. Rehman, H. Al-Lohedan, M. Alajmi","doi":"10.1155/2023/4191046","DOIUrl":"https://doi.org/10.1155/2023/4191046","url":null,"abstract":"Here, we investigated the interaction of cuminaldehyde with a model carrier protein, bovine serum albumin (BSA). The formation of the BSA–cuminaldehyde complex was confirmed through ultraviolet–visible (UV–Vis) spectroscopy and further proven by detailed intrinsic fluorescence spectroscopic measurements. As observed, cuminaldehyde quenched the intrinsic tryptophanyl fluorescence of BSA. The fluorescence data, before the analyses, were corrected for the inner filter effect (IFE) because of the significant absorption of cuminaldehyde at the excitation wavelength that was employed in the measurements. The typical Stern–Volmer plots were slightly nonlinear; they exhibited negative deviation toward the x-axis, a typical phenomenon that is observed with proteins possessing more than one tryptophan residue. Thus, the modified Stern–Volmer equation was employed to analyze the data. The analyzed data revealed that the interaction of cuminaldehyde with BSA proceeded via a static quenching mechanism and that there was a fair 1 : 1 binding between them. The interaction was strengthened by hydrophobic forces and hydrogen bonding. A lowered concentration of cuminaldehyde did not affect the secondary structure of BSA, although an increased one partially exposed the protein by decreasing its α-helical contents. The molecular dockings and simulations of BSA and cuminaldehyde further confirmed the formation of the stable BSA–cuminaldehyde complex. The in silico results also revealed that the contributions of the hydrophobic interaction and hydrogen bonding were the driving forces that imparted the stability.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2023-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90425610","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Quantitative Detection of Quartz Sandstone SiO2 Grade Using Polarized Infrared Absorption Spectroscopy with Convolutional Neural Network Model","authors":"Banglong Pan, Hongwei Cheng, Shuhua Du, Hanming Yu, Shaoru Feng, Yi Tang, Juan Du, H. Xie","doi":"10.1155/2023/7807297","DOIUrl":"https://doi.org/10.1155/2023/7807297","url":null,"abstract":"As an independent characteristic of electromagnetic radiation, the polarization of light is sensitive to the scattering and absorption characteristics of the mineral particles. The combination of polarization and infrared absorption spectroscopy is conducive to rapidly and accurately detecting the SiO2 content of metallurgical sandstone deposits. In this study, the 8–14 μm polarized infrared absorption spectra and the grade of the sandstone ore samples were used to analyse the spectral characteristics of the sandstone powder samples. Principal component analysis (PCA) and the successive projection algorithm (SPA) were used to reduce the dimension of the original data, first-order derivative, reciprocal logarithm, and multivariate scattering correction (MSC) data. Then, generalized regression neural network (GRNN), partial least squares regression (PLSR), and convolutional neural network (CNN) were employed to establish a hyperspectral prediction model of SiO2 grade. The results show that the quantitative model by the PCA-CNN algorithm has the better prediction precision for the reciprocal logarithm data, with a coefficient of determination (R2), root mean square error (RMSE), and ratio of performance to interquartile range (RPIQ) of 0.907, 0.023, and 5.11, respectively. This method indicates that the polarized infrared absorption spectra and the PCA-CNN model can provide a more robust and significant spectral interpretation than single infrared spectra, and it is expected to be applied to any high-purity quartz deposit type for in situ and rapid analysis.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2023-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75142819","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"GC-MS Phytochemical Profiling, Antidiabetic, and Antioxidant Activities of Khaya senegalensis Stem Bark and Azadirachta indica Leaves Extracts in Rats","authors":"Rania M Ahmed, A. Khalid, S. Mohan, S. Yagi, Hasseba Ahmed Saad, N. Bayoumi, Amna M. Ali, K. El-Sharkawy, H. Alhazmi, M. Albratty, S. Javed, S. Sultana, A. Meraya","doi":"10.1155/2023/3052595","DOIUrl":"https://doi.org/10.1155/2023/3052595","url":null,"abstract":"This study was performed to evaluate phytochemical composition of Khaya senegalensis stem bark and Azadirachta indica leaf hydroethanolic (80%) extracts using GC-MS technique as a tentative identification method and screen for antioxidant and antidiabetic properties in Wistar rats. Diabetes was induced by intraperitoneal injection of alloxan (150 mg/kg·bw). Animals were divided into groups of six and treated by extracts (400 mg/kg·bw) for 28 days. The results compared with positive and negative control groups of animals. After treatment, blood samples were collected to determine the blood glucose level, lipid profile, liver and kidney function markers, and DPPH free radical scavenging activity was evaluated. Phytochemical investigations revealed that extracts were enriched with a wide range of secondary metabolites such as phenols, saponins, triterpenes, alkaloids, flavonoids, sterols, fatty acids, siloxane derivatives, and anthraquinones in diverse concentrations with reported antioxidant and antidiabetic properties. Biological screening results indicated that both extracts exhibited free-radical scavenging property in DPPH screening, and in that, K. senegalensis stem bark extract (91 ± 0.02%) showed greater reduction than A. indica leaf extract (55 ± 0.03%), with an IC50 of 0.023 ± 0.03 g/mL, which was lower than the reference drug propylgallate (0.077 ± 0.03 g/mL). Both the extracts remarkably reduced the blood glucose concentration in diabetic rats (\u0000 \u0000 p\u0000 <\u0000 0.05\u0000 \u0000 ). However, A. indica leaf extract showed greater reduction (52%) than K. senegalensis stem bark extract (37%). Similarly, the cholesterol, LDL, triglyceride, total protein, albumin, urea, creatinine, aspartate aminotransferase (AST), and alanine aminotransferase (ALT) levels decreased significantly (\u0000 \u0000 p\u0000 <\u0000 0.05\u0000 \u0000 ), in comparison to diabetic control animals. However, the concentrations of HDL slightly increased. Overall, both extracts showed significant antidiabetic and antioxidant potential in diabetic rats. As oxidative stress is associated with the hyperglycemia, the antioxidant activity displayed by the extracts will provide additional benefits in the antidiabetic therapy.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2023-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75627377","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}