Journal of Applied Spectroscopy最新文献_第10页

Development of Highly Sensitive Techniques of Atomic and Molecular Spectroscopy and Their Application for Cultural Heritage Studies 开发高灵敏度原子和分子光谱技术及其在文化遗产研究中的应用

IF 0.8 4区化学

Journal of Applied Spectroscopy Pub Date : 2024-11-15 DOI: 10.1007/s10812-024-01808-7

E. V. Shabunya-Klyachkovskaya

引用次数: 0

Optically Detectable Magnetic Resonance of NV-Center Ensembles in CVD Diamond with Different 13C Contents 不同 13C 含量的 CVD 金刚石中 NV 中心组合的可光学检测磁共振

IF 0.8 4区化学

Journal of Applied Spectroscopy Pub Date : 2024-11-15 DOI: 10.1007/s10812-024-01812-x

A. T. Salkazanov, A. S. Gusev, M. M. Kaloshin, A. D. Sauri, A. M. Zharikov, A. P. Nizovtsev, S. Ya. Kilin, N. I. Kargin, R. V. Ryzhuk

引用次数: 0

Application of Magnetically Induced Atomic Transitions Fg = 2 → Fe = 1 of Rubidium D2-Line in Magnetic Fields 磁场中铷原子 D2 线的磁诱导原子转变 Fg = 2 → Fe = 1 的应用

IF 0.8 4区化学

Journal of Applied Spectroscopy Pub Date : 2024-11-15 DOI: 10.1007/s10812-024-01809-6

A. Sargsyan, A. Tonoyan, D. Sarkisyan

引用次数: 0

Spectral Manifestations of Energy Modulation of the Porphine Macrocycle Electronic Orbitals Upon Rotation of an NO2 Substituent 二氧化氮取代基旋转时卟吩大环电子轨道能量调节的光谱表现形式

IF 0.8 4区化学

Journal of Applied Spectroscopy Pub Date : 2024-11-15 DOI: 10.1007/s10812-024-01807-8

L. L. Gladkov, M. M. Kruk

{"title":"Spectral Manifestations of Energy Modulation of the Porphine Macrocycle Electronic Orbitals Upon Rotation of an NO2 Substituent","authors":"L. L. Gladkov, M. M. Kruk","doi":"10.1007/s10812-024-01807-8","DOIUrl":"10.1007/s10812-024-01807-8","url":null,"abstract":"Peculiarities of absorption spectra formation of porphine derivatives upon attachment of an NO2 group to the Cm-position of the tetrapyrrole macrocycle have been studied. The molecular conformation of the substituted porphine molecule was optimized using quantum chemistry methods. The energies of molecular orbitals were determined. Absorption spectra were calculated. It was found that the electronic interaction between the macrocycle and the NO2 group is determined by the orientation of the nitro group relative to the macrocycle mean plane. It has been established that the energies of the LUMO and HOMO–1 orbitals depend significantly on the dihedral angle θ between the macrocycle mean plane and the nitro group plane, while the energies of the LUMO+1 and HOMO orbitals vary slightly. As a result, the S0 → S1 and S0 → S2 absorption bands have bathochromic shifts, the magnitudes of which are different and depend on the configurational composition of the transitions. The oscillator strength of the S0 → S1 transition turns out to be greatest in the coplanar conformer, which has minimal configuration interaction. The oscillator strength of the S0 → S1 transition increases sharply in the orthogonal conformer, in which the LUMO and LUMO+1 are quasi-degenerate. All spectral characteristics can be presented as functions of the weighted sum of cos2 θ and cos22θ, taking into account the configuration composition of the electronic transitions.","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"91 5","pages":"963 - 968"},"PeriodicalIF":0.8,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142714455","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

Identification and Detection of Adulterated Butter by Colorimetry and Near-IR-Spectroscopy 用比色法和近红外光谱鉴定和检测掺假黄油

IF 0.8 4区化学

Journal of Applied Spectroscopy Pub Date : 2024-09-14 DOI: 10.1007/s10812-024-01790-0

V. G. Amelin, O. E. Emelyanov, A. V. Tretyakov, L. K. Kish

{"title":"Identification and Detection of Adulterated Butter by Colorimetry and Near-IR-Spectroscopy","authors":"V. G. Amelin, O. E. Emelyanov, A. V. Tretyakov, L. K. Kish","doi":"10.1007/s10812-024-01790-0","DOIUrl":"10.1007/s10812-024-01790-0","url":null,"abstract":"A rapid and simple method for identification of oil and fatty products of plant origin by their own fluorescence and diffuse reflection of IR radiation using colorimetry and near-IR spectroscopy is proposed. Analytical signals were recorded using 3D-printed devices with built-in UV and IR LED matrices (390 and 850 nm) and a smartphone with the PhotoMetrix PRO® application installed and FTIR spectroscopy in the near-IR region (10,000–4000 cm–1) with the NIRA attachment used for the analysis of solids. Diffuse reflectance spectra were processed using the TQ Analyst and The Unscrambler X applications. The studied objects were identified and differentiated using chemometric algorithms, i.e., principal component analysis (PCA) and hierarchical cluster analysis (HCA). The mass fraction of fat in the declared products was determined using univariate and multivariate (PLS algorithm) analyses. Adulterated butter was located separately from natural products on the PCA and HCA graphs. They did not intersect with each other on the dendrogram. Samples of butter with different milk fat mass fractions (61.5, 72.5, 82.5, and 99.0%) were used to construct a calibration relationship and determine the milk fat concentration using the PLS method and univariate analysis. The calibration error (RMSEC) were ≤1.31%; the predictive properties (RMSEP), ≤4.45%. The methods under consideration were tested with samples of butter and vegetable oil products from various manufacturers. The RMSEP values for dairy products was ≤4.97%; for margarine, >10% using multivariate analysis. The relative deviation of the results from the mass fractions of fat indicated on the packaging was ≤4.8% when using univariate analysis. This parameter for margarine was in the range 96.3–96.5%. The results correlated with those of FTIR spectroscopy.","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"91 4","pages":"826 - 834"},"PeriodicalIF":0.8,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142263808","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

PVC-Based Ultraviolet Screening Films Modified by Chitosan Capped ZnO–Hydroxyapatite 壳聚糖封端氧化锌-羟基磷灰石改性的聚氯乙烯基紫外线屏蔽膜

IF 0.8 4区化学

Journal of Applied Spectroscopy Pub Date : 2024-09-14 DOI: 10.1007/s10812-024-01802-z

Bin Wang, Xiao Zhang, Xiangmei Ma

引用次数: 0

The Anomalous Skin Effect in Metallic Films 金属膜中的反常表皮效应

IF 0.8 4区化学

Journal of Applied Spectroscopy Pub Date : 2024-09-14 DOI: 10.1007/s10812-024-01789-7

A. B. Sotsky, E. A. Chudakov, L. I. Sotskaya

{"title":"The Anomalous Skin Effect in Metallic Films","authors":"A. B. Sotsky, E. A. Chudakov, L. I. Sotskaya","doi":"10.1007/s10812-024-01789-7","DOIUrl":"10.1007/s10812-024-01789-7","url":null,"abstract":"Fredholm integral equations of the second kind are formulated to describe the anomalous skin effect in metal films on dielectric substrates. An algorithm is developed for numerical solution of the equations based on the quadrature method. As a result of its use for processing published experimental data on the spectral ellipsometry of gold films of different thicknesses on a silicon substrate, the density, relaxation time of the conduction electrons, and dielectric constant of gold are uniquely determined. The dependence of the dielectric constant of gold films on their thickness noted in a number of experimental studies is explained by using a model of the normal Drude skin effect that does not take the excitation of space charge in the film into account when solving the inverse optical problems. The optical fields in gold films are studied for different probabilities of mirror reflection of electrons from the boundary of the films It is found that in sensors for biological solutions with a Kretschmann configuration, structures in which the probability of mirror reflection of electrons from the metallic film–liquid interface approaches unity are to be preferred.","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"91 4","pages":"812 - 825"},"PeriodicalIF":0.8,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142264114","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

Analysis of Spatial Distributions of the Number of Photon Counts in Fluorescence Fluctuation Spectroscopy 荧光波动光谱中光子计数的空间分布分析

IF 0.8 4区化学

Journal of Applied Spectroscopy Pub Date : 2024-09-14 DOI: 10.1007/s10812-024-01788-8

V. V. Skakun, M. A. Hink, V. V. Apanasovich

{"title":"Analysis of Spatial Distributions of the Number of Photon Counts in Fluorescence Fluctuation Spectroscopy","authors":"V. V. Skakun, M. A. Hink, V. V. Apanasovich","doi":"10.1007/s10812-024-01788-8","DOIUrl":"10.1007/s10812-024-01788-8","url":null,"abstract":"A method is proposed for analysis of the photon-count number distributions (PCD) calculated over the space (pixels) of a stack of fluorescent images obtained in the process of a scanning measurement in fluorescence fluctuation spectroscopy which makes it possible to determine the characteristic brightness and number of molecules of the material being studied. The method is applicable to ergodic systems and is based on a theory of the analysis of Photon Counting Histograms (PCH) developed for single-point measurements. The method is tested on experimentally obtained images of a green fluorescent protein. The obtained results are compared with the results of a single-point experiment and the N&B (Number and Brightness) method, which is most often used for numerical analysis of a stack of fluorescent images obtained in scanning experiments. The estimates of the characteristic brightness and number of molecules of the studied substance are in good agreement with estimates obtained with the aid of the methods of analysis used in this region, which makes it possible to conclude that the theory of the PCH method can be used for analyzing spatial PCDs calculated on the basis of a stack of images. The developed method makes it possible to obtain estimates of the studied parameters based on a selected subregion of a single frame of the image.","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"91 4","pages":"803 - 811"},"PeriodicalIF":0.8,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142263807","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

Photoluminescence Properties of Novel BaLiZn3(BO3)3:RE (RE = Sm3+, Tb3+, Dy3+, and Pb2+) Blue, Green, Orange-Red Emitting Phosphors for White Light Emitting Diodes 用于白光发光二极管的新型 BaLiZn3(BO3)3:RE（RE = Sm3+、Tb3+、Dy3+ 和 Pb2+）蓝、绿、橙红发光荧光粉的光致发光特性

IF 0.8 4区化学

Journal of Applied Spectroscopy Pub Date : 2024-09-14 DOI: 10.1007/s10812-024-01793-x

E. Yildiz, E. Erdoğmuş, G. Annadurai

{"title":"Photoluminescence Properties of Novel BaLiZn3(BO3)3:RE (RE = Sm3+, Tb3+, Dy3+, and Pb2+) Blue, Green, Orange-Red Emitting Phosphors for White Light Emitting Diodes","authors":"E. Yildiz, E. Erdoğmuş, G. Annadurai","doi":"10.1007/s10812-024-01793-x","DOIUrl":"10.1007/s10812-024-01793-x","url":null,"abstract":"A new class of BaLiZn3(BO3)3:RE (RE = Sm3+, Tb3+, Dy3+, and Pb2+) phosphors were synthesized with a solid- state reaction method. The minor concentrations of various rare earth (Tb3+, Dy3+, and Sm3+) ions and transition metal (Pb2+) ions activated in the BaLiZn3(BO3) host matrix were characterized by using X-ray diffraction (XRD), scanning electron microscopy (SEM), and photoluminescence spectroscopy. The XRD results of BaLiZn3(BO3)3:RE (RE = Sm3+, Tb3+, Dy3+, and Pb2+) phosphors confirmed that all the samples have a monoclinic phase. SEM studies revealed that the morphology of BaLiZn3(BO3)3:RE (RE = Sm3+, Tb3+, Dy3+, and Pb2+) phosphors was irregular. The photoluminescence emission and excitation spectra show that these phosphors can be effectively excited by near-ultraviolet light-emitting diodes (n-UV), and they all exhibit an efficient orange-red (Sm3+, 4G5/2 → 6H7/2), green (Tb3+, 5D4 → 7F5), yellow (Dy3+, 4F9/2 → 6H13/2), and blue (Pb2+, 3P1 → 1S0) emission. All of the above results confirmed that the obtained phosphors could be a potential candidate for n-UV-excited WLEDs.","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"91 4","pages":"852 - 857"},"PeriodicalIF":0.8,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142264116","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

Variable Selection in Near-Infrared Spectra for Modeling of Hemoglobin Content in Bio-Water Solutions 在近红外光谱中选择变量，为生物水溶液中的血红蛋白含量建模

IF 0.8 4区化学

Journal of Applied Spectroscopy Pub Date : 2024-09-14 DOI: 10.1007/s10812-024-01801-0

Renjie Fang, Xin Han, Xiangxian Li, Jingjing Tong, Minguang Gao, Yang Wang

{"title":"Variable Selection in Near-Infrared Spectra for Modeling of Hemoglobin Content in Bio-Water Solutions","authors":"Renjie Fang, Xin Han, Xiangxian Li, Jingjing Tong, Minguang Gao, Yang Wang","doi":"10.1007/s10812-024-01801-0","DOIUrl":"10.1007/s10812-024-01801-0","url":null,"abstract":"The background differences in water content of different samples have a very strong influence on the robustness of near-infrared spectroscopy (NIRS). For this reason, this study simulated typical biological water matrix samples with formulated hemoglobin (Hb), glucose (Glc), and distilled water, and attempted to use four different intelligent spectral variable selection algorithms [Competitive Adaptive Reweighted Sampling (CARS), Randomized Frog Hopping Algorithm (RF), Genetic Algorithm (GA), and Variable Projection Importance Algorithm (VIP)] to perform the Hb water interference-resistant feature band preferences, while combining partial least squares (PLS) in parallel to build a robust quantitative model of Hb. In addition, the applicability and validity of the model were validated using three prediction sets P1, P2, P3 with different water backgrounds (the formulation method and composition were kept the same, and only the water content increased sequentially). The results showed that RF, GA, and VIP could effectively screen out the characteristic wavelengths of Hb with low sensitivity to water changes and successfully correct the water effect, but due to the large number of characteristic variables they screened out and the existence of a large number of redundant and water interference variables, this ultimately made the model's robustness less than ideal. The CARS algorithm performed the best, and the RMSEP of the three prediction sets were 0.016, 0.017, and 0.038, which is closer to the RMSECV of the calibration set. Therefore, NIRS combined with the variable selection can reduce the effect of water on model robustness and improve the prediction accuracy of the model by the method of selecting effective wave number intervals, and CARS may be one of the ideal algorithms to solve such problems.","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"91 4","pages":"928 - 935"},"PeriodicalIF":0.8,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142264118","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