Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy最新文献_第8页

Analysis of brazilian paintings of the 20th century: Suspects and authentics through in situ and Non-Invasive techniques. 20世纪巴西绘画分析：通过原位和非侵入性技术的怀疑和真实。

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2024-01-05 Epub Date: 2023-09-20 DOI: 10.1016/j.saa.2023.123431

N Thaumaturgo, C R F Souza, T J N A Fialho, R S Liarth, A P Oliveira, D Guimarães, V S Felix, A R Pimenta, A L C Oliveira, M B Oliveira, M A Oliveira, D S R Ferreira, R P Freitas

{"title":"Analysis of brazilian paintings of the 20th century: Suspects and authentics through in situ and Non-Invasive techniques.","authors":"N Thaumaturgo, C R F Souza, T J N A Fialho, R S Liarth, A P Oliveira, D Guimarães, V S Felix, A R Pimenta, A L C Oliveira, M B Oliveira, M A Oliveira, D S R Ferreira, R P Freitas","doi":"10.1016/j.saa.2023.123431","DOIUrl":"10.1016/j.saa.2023.123431","url":null,"abstract":"This work studied suspicious and authentic artworks by Brazilian painters Ivan Serpa, Ismael Nery, and Iberê Camargo by XRF, FTIR, OM, and MA-XRF techniques. The studies made it possible to verify that all suspicious artworks are counterfeit artifacts. The analyses were conducted in situ, and different approaches were applied for data treatment. For example, principal component analysis and spectral deconvolution were performed on the XRF data. From these methods, it was possible to verify that the suspect artworks by Ivan Serpa and Iberê Camargo have different materiality than the authentic paintings. Additionally, MA-XRF images did not reveal the presence of a polychrome preparation layer in the suspicious paintings by Ivan Serpa. The suspect artworks from Ismael Nery exhibited a Ca-K/Ti-K ratio that indicates they were created on a low-quality paper support, which is not suitable for paintings. The differences in materials used in the suspicious and authentic artworks are further supported by the FTIR and OM results. In addition to the physicochemical analysis, the paintings were studies graphotechnical examinations, financial evaluations, and artistic analyses that demonstrated they were counterfeit artifacts. The results of the analysis demonstrate how physicochemical techniques can contribute to the forensic investigation of paintings. However, this work highlights the importance of applying distinct treatments to the XRF data in order to accentuate the differences between the suspect and authentic artworks.","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41143980","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Prediction of vibrational spectrum and thermodynamic properties for phosphorus mononitride. 一氮化磷的振动光谱和热力学性质的预测。

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2024-01-05 Epub Date: 2023-09-09 DOI: 10.1016/j.saa.2023.123381

Hongrui Tian, Zhixiang Fan, Zhengrong Wang, Qunchao Fan, Zongbiao Ye, Fujun Gou, Jianjun Wei

引用次数: 0

Study on the modulating effect of halogen atom substitution on the detection range of water content detection probes in organic solvents. 卤素原子取代对有机溶剂中水含量检测探针检测范围的调节作用研究。

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2024-01-05 Epub Date: 2023-09-15 DOI: 10.1016/j.saa.2023.123415

Jiajun Xu, Meifen Huang, Siman Zhang, Dan Ning, Haijun Pang, Liang Jiao, Qiuling Yang, Jiao Yang, Qiong Wu

{"title":"Study on the modulating effect of halogen atom substitution on the detection range of water content detection probes in organic solvents.","authors":"Jiajun Xu, Meifen Huang, Siman Zhang, Dan Ning, Haijun Pang, Liang Jiao, Qiuling Yang, Jiao Yang, Qiong Wu","doi":"10.1016/j.saa.2023.123415","DOIUrl":"10.1016/j.saa.2023.123415","url":null,"abstract":"Fluorescence probes based on the variations of aggregation state (Aggregation-Induced Emission (AIE) and Aggregation-Caused Quenching (ACQ)) have received widespread attention due to their simplicity, efficiency and intuitiveness. However, typical probes are highly sensitive to changes in polarity and slight variations in the external environment can cause a complete change in the aggregation state. With the aim of expanding the detection range of the molecular probe, this work adopts a different design strategy from adjusting the molecular backbone but regulates the fluorescence behavior of the Schiff base molecular backbone by introducing different halogen atoms. Systematic studies show that when chlorine serves as substitutional atoms (3,5-Cl Salen), the probe can achieve full-range detection of water content (0-100 vol%) in ethanol and DMF. To our knowledge, the 3,5-Cl Salen represents the best water content probe in organic molecules. Experimental and theoretical studies have shown that the adjustment of halogen atoms can linearly change the charge distribution on the benzene ring and precisely control the strength of intermolecular interactions. At the same time, we developed a fluorescent filter paper based on 3,5-Cl Salen and used smartphones for rapid, sensitive and precise on-site measurement of water content in organic solvents.","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41172550","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Methodological approach for the automatic discrimination of pictorial materials using fused hyperspectral imaging data from the visible to mid-infrared range coupled with machine learning methods. 结合机器学习方法，使用可见光到中红外范围的融合高光谱成像数据自动区分图片材料的方法论方法。

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2024-01-05 Epub Date: 2023-09-14 DOI: 10.1016/j.saa.2023.123412

G Capobianco, Lucilla Pronti, E Gorga, M Romani, M Cestelli-Guidi, Silvia Serranti, G Bonifazi

{"title":"Methodological approach for the automatic discrimination of pictorial materials using fused hyperspectral imaging data from the visible to mid-infrared range coupled with machine learning methods.","authors":"G Capobianco, Lucilla Pronti, E Gorga, M Romani, M Cestelli-Guidi, Silvia Serranti, G Bonifazi","doi":"10.1016/j.saa.2023.123412","DOIUrl":"10.1016/j.saa.2023.123412","url":null,"abstract":"Hyperspectral imaging represents a powerful tool for the study of artwork's materials since it permits to obtain simultaneously information about the spectral behavior of the materials and their spatial distribution. By combining hyperspectral images performed on several spectral intervals (visible, near infrared and mid-infrared ranges) through chemometric methods it is possible to clearly identify most of the materials used in painting (i.e., pigments, dyes, varnishes, and binders). Moreover, in the last decade, the development of machine learning algorithms coupled with comprehensive and continuously updated databases opens new perspective on the automatic recognition of pictorial materials. In this work, we propose a novel procedure to support the automatic discrimination of pictorial materials consisting in a mid-level data fusion on imaging datasets coming from two commercial hyperspectral cameras, in the 400-1000 nm and 1000-2500 nm spectral ranges, respectively, and a MAcroscopic Fourier Transform InfRared scanning in reflection mode (MA-rFTIR), in the 7000 to 350 cm-1 (1428 nm - 28 μm) spectral range. The automatic recognition of 102 pictorial mock-ups from the fused data is performed by testing the performance of ECOC-SVM (error-correcting output coding and support vector machine) model obtaining a good predictive result with only few pixels that are confused with other classes. The methodology described in this paper demonstrates that an accurate paint layer multiclass recognition is feasible, and the use of chemometric approaches solves some challenges involving the study of materials.","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41166687","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A visible BODIPY-based sensor for 'Naked-Eye' recognition of Ag⁺ and its application on test paper strips. 一种基于BODIPY的Ag+肉眼识别传感器及其在试纸条上的应用。

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2024-01-05 Epub Date: 2023-09-21 DOI: 10.1016/j.saa.2023.123446

Shengling Li, Xiliang Chang, Xiangpeng Kong, Qi Wang, Feng Zhao, Jia Han, Yu Liu, Tianyuan Wang

{"title":"A visible BODIPY-based sensor for 'Naked-Eye' recognition of Ag+ and its application on test paper strips.","authors":"Shengling Li, Xiliang Chang, Xiangpeng Kong, Qi Wang, Feng Zhao, Jia Han, Yu Liu, Tianyuan Wang","doi":"10.1016/j.saa.2023.123446","DOIUrl":"10.1016/j.saa.2023.123446","url":null,"abstract":"In this study, a novel, highly sensitive fluorescent sensor (E)-2-((2-(benzo[d] thiazol-2-yl) quinolin-8-yl) oxy)-N'-(4-(5, 5-difluoro-1, 3, 7, 9-tetramethyl-5H-4λ4, 5λ4-dipyrrolo [1, 2-c:2', 1'-f] [1, 3, 2] diazaborinin-10-yl) benzylidene) acetohydrazide (TQB) was developed for dual mode of Ag+ detection (colorimetric/fluorescence), and its structural and spectral properties were characterized by 1H NMR, ESI-MS, X-ray, ultraviolet and fluorescence photometry. It is found that TQB could specifically and efficiently identify Ag+ among many other metal ions in CH3OH/H2O (7:3 v/v, pH = 7.23) buffer. The maximum absorption wavelength of TQB is red-shifted while its fluorescence is quenched with a quenching rate of 88.7%. The energy difference between TQB and TQB-Ag+ complex was calculated by DFT, and the applicability of TQB was verified by paper strip test. In addition, TQB has been successfully applied to the determination of Ag+ in real water samples with good reversibility and recoveries.","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41166830","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0