Journal of Applied Spectroscopy最新文献

{"title":"Multi-Parameter Water-Quality Monitoring in Wastewater Treatment Processes Based on Multi-Source Spectroscopy and Single-Parameter Analysis","authors":"Xiaowei Chen,&nbsp;Siru Li,&nbsp;Fei Wang,&nbsp;Zhao Cheng,&nbsp;Nanjing Zhao,&nbsp;Gaofang Yin","doi":"10.1007/s10812-026-02139-5","DOIUrl":"10.1007/s10812-026-02139-5","url":null,"abstract":"<p>This study aims to measure the concentrations of chemical oxygen demand (COD), nitrate, ammonia nitrogen, total nitrogen (TN), and total phosphorus (TP) in the main treatment stages of an urban wastewater treatment plant (WWTP) using a fused spectral technique integrating three-dimensional fluorescence spectroscopy and UV-Vis absorption spectroscopy, combined with a single-parameter feature selection method. Three-dimensional fluorescence spectra (Excitation–Emission–Matrix Spectra, EEMs) and UV-Vis absorption spectra of water samples were collected at the inlet, anaerobic tank, anoxic tank, aerobic tank, biochemical tank, secondary sedimentation tank, high-efficiency sedimentation tank, deep-bed filter, and effluent of the WWTP. Then, pretreatment methods, including standard normal variate (SNV), total normalization (Total), maximum normalization (Max), and minmax normalization (Min-Max) were applied to the original spectra, including raw three-dimensional fluorescence spectra and raw UV-Vis absorption spectra, to facilitate spectral data fusion. Given the different responses of various water quality parameters to fluorescence and absorption spectra, multiple feature selection methods — including competitive adaptive reweighted sampling (CARS), random frog (RF), uninformative variable elimination (UVE), and successive projections algorithm (SPA) — were employed to extract the characteristic fluorescence and absorption wavelengths for each water quality parameter. The results show that spectral preprocessing based on SNV and a characteristic wavelength extraction method based on CARS had the best prediction results for multi-parameter water quality in the key processes of the WWTP. Among them, the coefficients of determination (R2) between the predicted values and the actual values of COD, nitrate, ammonia nitrogen, TN, and TP all exceed 0.95. This method can provide theoretical guidance for the rapid diagnosis of operational stability in WWTPs.</p>","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"93 2","pages":"473 - 480"},"PeriodicalIF":0.7,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148667125","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":"Paramagnetic Structural Defects of MAX-phases Cr–Ti–Al–C","authors":"E. A. Ovodok,&nbsp;M. I. Ivanovskaya,&nbsp;A. E. Seleznev,&nbsp;S. V. Zlotsky,&nbsp;I. I. Azarko,&nbsp;V. V. Uglov,&nbsp;A. A. Vereschaka","doi":"10.1007/s10812-026-02119-9","DOIUrl":"10.1007/s10812-026-02119-9","url":null,"abstract":"<p>The phase composition, surface condition, and nature of paramagnetic centers in a sample of the MAX-phase Cr₂TiAlC₂ prepared by sintering pressed powders of Cr, Al, TiC, C in vacuo at 1300°C were studied using x-ray phase analysis, x-ray photoelectron spectroscopy (XPS), and electron paramagnetic resonance. According to x-ray diffraction data, the main phase was MAX-phase 312 (Cr_2/3Ti_1/3)₃AlC₂ with impurities of Cr_1.5Ti_0.5AlC, Cr₂AlC, α-Al₂O₃, and chromium carbides and oxides. XPS analysis revealed that aluminum oxide and oxidized states of titanium and chromium predominated on the sample surface, with the Ti⁴⁺/Ti³⁺/Ti²⁺ ratio being 1.58/1.0/1.08, and the Cr³⁺ content exceeding the Cr⁶⁺ content by more than three times. The nature of paramagnetic centers in the (Cr_2/3Ti_1/3)₃AlC₂ sample was established. Electronic defects and various types of O^– and Cr³⁺ hole centers were identified in various oxide matrices of the near-surface layers, which may be important for the electron conductivity and magnetic properties.</p>","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"93 2","pages":"311 - 319"},"PeriodicalIF":0.7,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148666951","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":"Analysis of Hyperspectral Images of Hordeum vulgare L. Seedlings to Assess Their Adaptation to Heat Stress","authors":"N. L. Pshybytko,&nbsp;T. O. Koschits,&nbsp;P. O. Prohortchik","doi":"10.1007/s10812-026-02122-0","DOIUrl":"10.1007/s10812-026-02122-0","url":null,"abstract":"<p>Hyperspectral imaging was used to study ontogenetic and heat-induced changes in visible and near-infrared (NIR) reflectance spectra of primary leaves of Hordeum vulgare L. seedlings of different ages. It was found that NIR light reflectance decreased and the mesophyll structure became less compact during primary leaf growing. Chlorophyll pigment absorption increased from 4 to 7 days of growth and then decreased. High temperature (40°C, 3 h, illumination of 120 μmol quanta·m^–2·s^–1) affected insignificantly the reflectance coefficients of leaves of 4- and 7-day-old seedlings in the NIR, but significantly reduced leaf density in 11-day-old plants. At the same time, the absorption of chlorophyll pigments significantly decreased in 4- and 11-day-old seedlings and remained unchanged in 7-day-old leaves after heating. Light absorption by water molecules in the studied seedlings of all age groups did not change significantly after heat exposure. A comparative and correlation analysis of eight commonly used vegetation indices found that exposure to heat led to a significant decrease in the photochemical reflectance index (PRI) in 4-day-old leaves and the red-edge normalized difference vegetation index (NDVI₇₀₅) and structure-insensitive pigment index (SIPI) in 11-day-old seedlings. It was proposed to use these vegetation indices to assess heat stress in plants.</p>","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"93 2","pages":"337 - 345"},"PeriodicalIF":0.7,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148666952","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":"Spectral Investigations of Inclusion Complexes of a Fluorescein Bifluorophore with α-, β-, and γ-Cyclodextrins","authors":"H. S. Pilipovich,&nbsp;F. Fan,&nbsp;I. I. Lisenko,&nbsp;V. A. Povedailo,&nbsp;S. A. Tikhomirov,&nbsp;V. V. Shmanai","doi":"10.1007/s10812-026-02121-1","DOIUrl":"10.1007/s10812-026-02121-1","url":null,"abstract":"<p>The formation of inclusion complexes of the (6-FAM)₂ bifluorophore with α-, β-, and γ-cyclodextrins in phosphate buffer solution (pH 9.0) was studied by spectrophotometry and fluorimetry. The association constants and Gibbs free energy changes for 1:1 stoichiometry was determined. The highest association constant was observed for the complex with β-cyclodextrin, which was explained by the optimal spatial match between the guest molecule and the host cavity. The effect of the (6-FAM)₂/β-CD inclusion complex on the fluorescent response of the system in the presence of protein (bovine serum albumin) was shown.</p>","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"93 2","pages":"330 - 336"},"PeriodicalIF":0.7,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148667154","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":"Novel Fluorescence Probe with Good Biocompatibility and Selectivity for the Detection of Cu2+ in Cells","authors":"Xing Zhao,&nbsp;Peiyue Zhang,&nbsp;Xin Leng,&nbsp;Jing Liu,&nbsp;Yang Zhang,&nbsp;Yinjuan Bai,&nbsp;Bingqin Yang","doi":"10.1007/s10812-026-02132-y","DOIUrl":"10.1007/s10812-026-02132-y","url":null,"abstract":"<p>Trace element analysis of ancient human remains plays an important role in reconstructing dietary habits and living environments. However, conventional analytical methods have critical limitations such as destructive sampling, high costs, and inadequate sensitivity. To address these challenges, a reversible fluorescent probe with specific recognition for Cu²⁺ was fabricated and characterized in this study for cell detection and bioimaging. Compared with other cations in solution, the probe exhibited exceptional selectivity and sensitivity towards Cu²⁺. The interaction between the probe and Cu²⁺ accelerated the ring-opening process, resulting in a new emission band at 525 nm within a specific pH range. A strong linear relationship between the fluorescence intensity and Cu²⁺ concentration, ranging from 0.0 to 1.0 equivalents, with a detection limit of 4.52 μM, was observed. In addition, Job plots and infrared spectral analysis revealed that B probe complexed Cu²⁺ at a 1:1 ratio. Biological testing revealed that the probe has good biocompatibility and can be effectively used for Cu²⁺ cell imaging. Cu²⁺-specific reversible fluorescent probes can be designed and fabricated with good fluorescence response characteristics and combined with fluorescence spectroscopy technology to accurately quantify Cu²⁺ in complex ancient human samples.</p>","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"93 2","pages":"412 - 419"},"PeriodicalIF":0.7,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148667116","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":"Development and Validation of Eco-Friendly UV Spectroscopic and RP-HPLC Methods for Simultaneous Quantification of Empagliflozin and Losartan: Greenness Assessment Using BAGI, CACI","authors":"Kunj Patel,&nbsp;Krishna Kalsara,&nbsp;Mitali Dalwadi,&nbsp;Siddhi Upadhyay,&nbsp;Priyanka Patil,&nbsp;Umesh Upadhyay,&nbsp;Ketan Shah,&nbsp;Ashok H. Akabari","doi":"10.1007/s10812-026-02137-7","DOIUrl":"10.1007/s10812-026-02137-7","url":null,"abstract":"<p>The aim of this study is to develop and validate UV spectrophotometric and RP-HPLC methods for the simultaneous quantification of empagliflozin and losartan in a synthetic fixed-dose combination. In addition to method validation, a sustainability and complexity assessment was performed to support method selection for routine pharmaceutical analysis. The UV method is based on a Q-absorbance ratio approach using 225 and 239.20 nm, while the HPLC method employed a C18 column with a mobile phase of orthophosphoric acid buffer (pH 3.0) and acetonitrile (50:50, v/v), at a flow rate of 1.0 mL/min with detection at 217 nm. Both methods were validated according to ICH Q2(R2) guidelines. Further evaluation was conducted using the blue applicability grade index (BAGI) and click analytical chemistry index (CACI) to assess greenness and procedural efficiency. Both methods demonstrated excellent linearity (<i>r</i>² &gt; 0.996), precision (%RSD &lt; 2), and recovery within the acceptable range of 98–102%. The UV method achieved good scores in environmental sustainability (BAGI = 82.5) and practical simplicity (CACI = 74) compared to the HPLC method (BAGI = 72.5, CACI = 77). The assay results confirmed the accuracy of both methods for simultaneous estimation of empagliflozin and losartan without interference from excipients. The developed UV spectrophotometry and RP-HPLC methods are found to be accurate, precise, and suitable for routine estimations of empagliflozin and losartan in bulk and laboratory-prepared mixtures. The greenness assessments of developed methods further support the UV method as a more sustainable and efficient choice, while the HPLC method remains preferable where greater sensitivity or automation is required.</p>","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"93 2","pages":"452 - 461"},"PeriodicalIF":0.7,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148667118","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":"Multiwave Tea Laser with a Combined Working Mixture and Fast Switching of Generation Channels","authors":"S. S. Shavel,&nbsp;V. A. Gorobets,&nbsp;S. B. Bushuk","doi":"10.1007/s10812-026-02125-x","DOIUrl":"10.1007/s10812-026-02125-x","url":null,"abstract":"<p>Results from developing a multiwavelength TEA laser with a selective dispersive resonator providing multiwavelength generation in the near- and mid-IR ranges (1.1–3.5 and 9.2–10.8 μm) are reported. The use of a combined gas mixture containing CO₂ molecules and inert gases (Xe, Kr, Ar, and Ne) produced high-quality radiation with narrow spectral lines, which are necessary for applied spectroscopy and remote gas analysis. The developed optical scheme with a diffraction grating and blocking units ensured fast (0.2 s) sequential switching between spectral lines, which allowed for efficient achievement of the so-called \"frozen atmosphere\" effect during measurements. The proposed approach significantly simplified the design and improved the reliability of multiwavelength gas analyzers, expanding their functionality while reducing the cost and size. The developed laser could become a promising radiation source for remote sensing of the atmosphere and determining the concentrations of gases such as CO₂ and NH₃.</p>","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"93 2","pages":"360 - 365"},"PeriodicalIF":0.7,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148666941","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":"Changes in Optical Properties of Thermal-radiation-modified Polytetrafluoroethylene Exposed to Accelerated Xenon Ions","authors":"O. V. Belov,&nbsp;N. E. Pukhaeva,&nbsp;M. M. Paraipan,&nbsp;S. M. Ryndya,&nbsp;L. V. Moskvitin,&nbsp;S. V. Slesarenko,&nbsp;S. A. Tokovoy,&nbsp;A. S. Smolyansky","doi":"10.1007/s10812-026-02120-2","DOIUrl":"10.1007/s10812-026-02120-2","url":null,"abstract":"<p>The interaction characteristics of accelerated 3.2 MeV/nucleon xenon ions with 100-μm-thick thermal-radiation-modified polytetrafluoroethylene (TRM-PTFE) films were determined using computer simulation. It was found that the initially homogeneous TRM-PTFE sample was transformed during radiolysis into a layered structure including zones of intense and partial radiolysis and a layer of intact polymer. The spatial distribution characteristics of ionization losses and the absorbed dose field in the region of radiation damage around the latent track of a xenon ion were calculated. The optical properties of 100-μm-thick TRM-PTFE films exposed to 3.2 MeV/nucleon xenon ions up to a fluence of 1.08·10⁶ cm^–2 were studied. Optical spectra of TRM-PTFE exhibited absorption maxima at 206 and 476 (374, 578) nm, which may have been due to isolated double bonds and polyene structures containing 14 conjugated double bonds, respectively. Radiation-induced interference was detected and may have been due to the formation of a 0.34–0.39-μm-thick radiation-damaged layer that may have been located up to ~36 μm from the surface of the TRM-PTFE sample. It was concluded that the predicted estimates of radiation-induced changes in the optical properties of TRM-PTFE films and the experimental data were correlated.</p>","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"93 2","pages":"320 - 329"},"PeriodicalIF":0.7,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148667153","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":"Interaction Between Gadolinium Oxide and FLiNaK Fluoride Melt According to Raman Spectroscopy","authors":"I. D. Zakiryanova","doi":"10.1007/s10812-026-02126-w","DOIUrl":"10.1007/s10812-026-02126-w","url":null,"abstract":"<p>An in situ Raman spectroscopy study has established a chemical mechanism for the interaction of gadolinium oxide with a molten fluoride mixture, FLiNaK, a promising medium for pyrochemical reprocessing of spent uraniumgadolinium oxide nuclear fuel. High-temperature spectral studies along with the use of x-ray phase analysis have indicated an irreversible heterogeneous reaction Gd₂O₃ (s) + 2LiF (soln) → 2GdOF (s) + Li₂O (soln). The influence of temperature on the kinetics and completeness of the reaction has been established. When the temperature increases, the interaction process accelerates, the equilibrium content of Gd₂O₃ decreases, and that of GdOF increases. The reaction product (gadolinium oxyfluoride GdOF) has been shown to form a trigonal (R3m) crystal modification. The reactivities of Gd₂O₃ and La₂O₃ in the fluoride melt FLiNaK differed.</p>","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"93 2","pages":"366 - 372"},"PeriodicalIF":0.7,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148666955","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":"Raman and Photoluminescence Spectroscopic Analysis as a Multifunctional Tool for Studying Energy Materials","authors":"V. G. Bayev,&nbsp;A. A. Brin,&nbsp;N. M. Kazuchits,&nbsp;A. V. Mazanik,&nbsp;E. A. Streltsov,&nbsp;I. A. Svito","doi":"10.1007/s10812-026-02123-z","DOIUrl":"10.1007/s10812-026-02123-z","url":null,"abstract":"<p>This article presents the capabilities of Raman and photoluminescence (PL) spectroscopy for studying materials for power engineering (the analysis of phase composition, assessment of crystal quality and stability for a wide range of materials, study of the electrodes for metal ion batteries, testing the photostability of photovoltaic devices, etc.). In particular, we demonstrate a possibility to testify material quality by the analysis of spectral width of Raman line or intensity of exciton line in PL spectra, to prove corrosion hardness, to reveal the behavior of electrodes for metal ion batteries by operando Raman analysis under electrochemical polarization, to unveil running photoinduced processes in solar cells by the coupled registration of spectral and photoelectric characteristics and their transformation under illumination.</p>","PeriodicalId":609,"journal":{"name":"Journal of Applied Spectroscopy","volume":"93 2","pages":"346 - 353"},"PeriodicalIF":0.7,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148666953","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}