Journal of Spectroscopy最新文献_第3页

Calculations of Constant-Height STM Images of Fullerene C60 Adsorbed onto a Surface 吸附在表面的富勒烯C60等高STM图像的计算

IF 2 4区化学

Journal of Spectroscopy Pub Date : 2023-06-21 DOI: 10.1155/2023/8841630

Effat A. Rashed

引用次数: 0

In Situ Compositional Analysis of Tomato Plants and Cell Wall Using Fiber Optic Fourier-Transform Near-Infrared Spectroscopy 利用光纤傅里叶变换近红外光谱原位分析番茄植株和细胞壁成分

4区化学

Journal of Spectroscopy Pub Date : 2023-06-03 DOI: 10.1155/2023/2982941

Raghav Tewari, Ritu Joshi

{"title":"In Situ Compositional Analysis of Tomato Plants and Cell Wall Using Fiber Optic Fourier-Transform Near-Infrared Spectroscopy","authors":"Raghav Tewari, Ritu Joshi","doi":"10.1155/2023/2982941","DOIUrl":"https://doi.org/10.1155/2023/2982941","url":null,"abstract":"This research was intended to define and interpret cell wall attributes and other chemical composition of eight different varieties of tomato plants by utilizing fiber optic Fourier-transform near-infrared spectroscopy (FT-NIR) to acquire in situ chemical signatures of leaf, flower, fruit, and stem of tomato plant and cell wall at different developmental stages. Chemical spectral signatures of the tomato’s leaf, flower, fruit, and stem were only acquired during its session and in live mode such as green, yellow, and red in cell wall color. The spectral signature analysis of each tomato plant was performed to see substantial differences in chemical compositions using chemometric data modeling of FT-NIR spectra. In addition, principal component analysis (PCA) was performed to discriminate leaf, flower, fruit, and stem from the same variety. PCA was also performed to differentiate eight different varieties of tomato plants. The study showed how in situ FT-NIR could distinguish eight types of tomato leaf, flower, fruit, and stem chemical composition at different developmental stages related to cell wall and other attributes. This study has also demonstrated how in situ FT-NIR can discriminate between rusty vs. healthy leaf and intact fruit vs. off-the-plant fruit. The main objective of this study is to present the chemical signature differences in the live and developing tomato plants to improve crucial factors of tomatoes that would benefit plant breeding, tomato cell wall study, and ultimately human health.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":"13 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135911029","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}

引用次数: 0

A Study of the Electronic Absorption and Emission Spectra of DBDMA Dye: Solvent Effect, Energy Transfer, and Fluorescence Quenching DBDMA染料的电子吸收和发射光谱研究:溶剂效应、能量转移和荧光猝灭

IF 2 4区化学

Journal of Spectroscopy Pub Date : 2023-06-02 DOI: 10.1155/2023/7802548

Sadeq M. Al-Hazmy, Jameelah Al-Harby, M. Hassan, S. Messaoudi, Ibrahim A. Alhagri, Ahmed N. Alhakimi

{"title":"A Study of the Electronic Absorption and Emission Spectra of DBDMA Dye: Solvent Effect, Energy Transfer, and Fluorescence Quenching","authors":"Sadeq M. Al-Hazmy, Jameelah Al-Harby, M. Hassan, S. Messaoudi, Ibrahim A. Alhagri, Ahmed N. Alhakimi","doi":"10.1155/2023/7802548","DOIUrl":"https://doi.org/10.1155/2023/7802548","url":null,"abstract":"This study is aimed to shed light on the electronic absorption and emission spectra of DBDMA (2-(1-(difluoroboraneyl)-1,2-dihydroquinolin-2-yl)-2-(1-methylquinoxalin-2-ylidene) acetonitrile) in different solvents. Both types of spectra were obtained theoretically and produced experimentally in different solvents. The photostability of dye was tested, and its energy transfer behavior in the presence of oxygen and hydrated copper sulfate quenchers was investigated. We also gave a qualitative estimation of the effect of acidic media on the absorption and emission spectra. There is good compatibility between the calculated and measured values of many photophysical parameters. DBDMA has a low chemical quantum yield in solvents of different polarities, and the fluorescence quantum yield is high enough, which confirms, together with the low values of the excited state lifetime, its efficiency as laser emitting dye in the range of wavelength emission maxima. The rigidity of the DBDMA molecule is the main reason for the photochemical stability and the absence of a considerable shift as a result of the change in the polarity of the solvents. Geometries of ground and excited states were optimized using the density functional theory (DFT) and the time-dependent density functional theory (TD-DFT), respectively. Upon using the TD-DFT method, the UV-Vis absorption and emission spectra of the DBDMA molecule in different solvents were illustrated. A slight change is observed in the position of the maximum emission and absorption wavelength with the change of the solvent due to the rigidity of the compound. There was no apparent effect of quenching by oxygen. Besides, no intersystem crossing (ISC) was observed for the excited state of the DBDMA as a result of aeration of a solution with O2 for 20 min, which was an explanation of the stability of peak emission intensity of dye after exposure to oxygen gas. The energy transfer rate constant has been calculated as well.","PeriodicalId":17079,"journal":{"name":"Journal of Spectroscopy","volume":"100 1","pages":""},"PeriodicalIF":2.0,"publicationDate":"2023-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82475080","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}

引用次数: 0

Microstructural Changes of Bone after Soft Tissue Removal: ATR-FTIR and XRD Spectroscopies 软组织去除后骨的显微结构变化:ATR-FTIR和XRD光谱

IF 2 4区化学

Journal of Spectroscopy Pub Date : 2023-05-12 DOI: 10.1155/2023/6599002

M. A. Alebrahim, Mohammed-Ali Al-Akhras, A. S. Al-Hiyasat, Ali S. Ba rajjash, M. Mousa, Abdulla S. Al Darayseh

引用次数: 0

Quick Determination of Soil Quality Using Portable Spectroscopy and Efficient Multivariate Techniques 利用便携式光谱和高效多变量技术快速测定土壤质量

IF 2 4区化学

Journal of Spectroscopy Pub Date : 2023-05-11 DOI: 10.1155/2023/2024318

E. Teye, C. Amuah, K. Atiah, R. Darko, Thomas Abindaw, K. Amoah, M. Miyittah, E. Afutu, Rebecca Owusu

{"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":"17 1","pages":""},"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}

引用次数: 1

Effect of Laser Heating on Partial Decomposition of Bi12SiO20 (BSO) Single Crystal: Raman Study 激光加热对Bi12SiO20 (BSO)单晶部分分解的影响:拉曼研究

IF 2 4区化学

Journal of Spectroscopy Pub Date : 2023-05-04 DOI: 10.1155/2023/5490018

N. Romčević, B. Hadžić, Marija Prekajski Đorđević, Peda Mihailovic, M. Curcic, J. Trajic, J. Mitrić, M. Romčević

引用次数: 0

Multivariate Image Analysis Applied to Cross-Laminated Timber: Combined Hyperspectral Near-Infrared and X-ray Computed Tomography 应用于交叉层合木材的多元图像分析:结合高光谱近红外和x射线计算机断层扫描

IF 2 4区化学

Journal of Spectroscopy Pub Date : 2023-04-22 DOI: 10.1155/2023/3954368

Dietrich Buck, O. Hagman

{"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":"1 1","pages":""},"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}

引用次数: 1

Optical Design and Simulation of Snapshot Hyperspectral Dental Imaging Spectrometer with One-Dimensional Random Coding 基于一维随机编码的快照高光谱牙科成像光谱仪光学设计与仿真

4区化学

Journal of Spectroscopy Pub Date : 2023-04-20 DOI: 10.1155/2023/9187229

Jiajing Cao, Jun Chang, Yi Huang, Wenxi Wang, Xinran Guo, Shangnan Zhao

引用次数: 0

The Ultraviolet-Visible Luminescence of Ce3+ in Ca2Mg(BO3)2 Phosphors with Potential Applications Ce3+在Ca2Mg(BO3)2荧光粉中的紫外可见发光及其应用前景

IF 2 4区化学

Journal of Spectroscopy Pub Date : 2023-04-19 DOI: 10.1155/2023/2393285

Jing-Xiang Zhang, Yanru Lin, Huihong Lin

引用次数: 0

Study of the Hydration Mechanism of Portland Cement with Raman Spectroscopy Applying CO2 Laser Radiation CO2激光辐射下硅酸盐水泥水化机理的拉曼光谱研究