Spectrochimica Acta Part B: Atomic Spectroscopy最新文献

{"title":"Discrimination of single acrylic fibers focusing on zinc for forensic investigation using nanobeam synchrotron radiation X-ray fluorescence imaging and X-ray absorption fine structure analysis","authors":"Keita Miyazaki ,&nbsp;Masanobu Mori ,&nbsp;Yasuo Seto ,&nbsp;Yoshinori Nishiwaki","doi":"10.1016/j.sab.2025.107219","DOIUrl":"10.1016/j.sab.2025.107219","url":null,"abstract":"<div><div>The identification of single acrylic fibers is critical in forensic science. Spinning solvents and dyes containing zinc are used to produce acrylic fibers. However, the information has not been used to identify acrylic single fibers for forensic purposes. This study aimed to discriminate between single acrylic fibers by focusing on zinc. A single type of red acrylic fiber from the Forensic Science Fiber Collection (Microtrace LLC, USA) was used as the standard sample. In contrast, nine commercially available colored acrylic fibers were used as samples. Owing to the limited beam time of synchrotron radiation X-ray analysis, total reflection X-ray fluorescence (TXRF) was used as a trace element screening method. Nanobeam synchrotron radiation X-ray fluorescence (SR-XRF) imaging of thinned acrylic single-fiber cross-sections was conducted to visualize the distribution of trace elements within a single fiber. X-ray absorption fine structure (XAFS) analysis was conducted to investigate the chemical states of zinc in the single acrylic fibers. The nanobeam SR-XRF imaging enabled the visualization of zinc derived from dyes and spinning solvents in single-fiber cross-sections. The images were classified into three distinct patterns. Two types of X-ray absorption near edge structure (XANES) spectra of the zinc absorption edge, reflecting the difference in the chemical state of zinc, were obtained from the acrylic single-fiber sample. In conclusion, the distribution and chemical state of zinc were found to be powerful indicators for distinguishing single acrylic fibers.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"230 ","pages":"Article 107219"},"PeriodicalIF":3.2,"publicationDate":"2025-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143891623","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Determination of the calorific value and ash content of coal using the analysis of primary X-ray radiation scattering spectra","authors":"Ivan Sverchkov","doi":"10.1016/j.sab.2025.107221","DOIUrl":"10.1016/j.sab.2025.107221","url":null,"abstract":"<div><div>The study presents a new approach to the determination of the main fuel characteristics of coals, such as calorific value and ash content, using wavelength dispersive X-ray fluorescence analysis (WDXRF) in combination with partial least squares (PLS) regression. The Compton and Rayleigh scattering spectra of the primary radiation of the X-ray tube served as the basis for the quantitative assessment of these indicators.</div><div>The effect that spectral resolution has on the quality of the prediction was also assessed in the study. It was found that increasing the spectral resolution increases the accuracy of predicting the calorific value and ash content of coals. The use of a LiF (220) crystal analyzer in combination with a high-resolution collimator provided a root-mean-square error of 0.52 MJ/kg for an average calorific value of 29.06 MJ/kg, and 1.70 wt% for an average ash content of 9.20 wt% in validating the training set data. Although the current results of coal quality analysis obtained on the basis of primary X-ray scattering spectra cannot replace the already accepted methods, the presented approach can provide useful information for rapid assessment of coal quality and can be used in automated systems for quality control of incoming fuel.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"230 ","pages":"Article 107221"},"PeriodicalIF":3.2,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143887654","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Antimony isotope-delta values of pure mono-elemental solutions measured by Instrumental Neutron Activation Analysis","authors":"Giancarlo D'Agostino,&nbsp;Luigi Bergamaschi,&nbsp;Marco Di Luzio","doi":"10.1016/j.sab.2025.107220","DOIUrl":"10.1016/j.sab.2025.107220","url":null,"abstract":"<div><div>A method based on Instrumental Neutron Activation Analysis was established for the determination of isotope-delta values of pure Sb mono-elemental solutions. The measurement equation was developed to model all quantities related to the physical principles of nuclear neutron activation and instrumental effects of <span><math><mi>γ</mi></math></span>-spectrometry. The method was applied and tested in case the isotope-delta value is known to be zero to highlight systematic errors and evaluate the achievable uncertainty. A negligible 0.01 ‰ deviation was observed from the expected zero value with a 0.24 ‰ combined uncertainty due to counting statistics and pointed out to be the main contributor by the budget compiled using the developed measurement equation. The achieved uncertainty, close to the ultimate limit of INAA in isotopic abundance determinations, makes the method competitive for linking secondary to primary Sb isotopic reference solutions.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"230 ","pages":"Article 107220"},"PeriodicalIF":3.2,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143879194","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study of optically thin condition for quantification of trace quantity of boron in aqueous sample using LIBS assisted by acoustic levitation","authors":"Sanath J. Shetty ,&nbsp;Jairo C. Peralta ,&nbsp;Hanna Tatarevska ,&nbsp;Ivan A. Urbina ,&nbsp;Victor Contreras ,&nbsp;Pavel Veis","doi":"10.1016/j.sab.2025.107218","DOIUrl":"10.1016/j.sab.2025.107218","url":null,"abstract":"<div><div>LIBS analysis of liquids has faced challenges such as splashing and weak signals due to laser energy absorption by numerous liquid molecules. The analysis of evaporable liquids has been improved using surface-assisted/enhanced methods; however, these approaches have disadvantages, such as undesired ablation of the substrate material and uneven analyte distribution during preconcentration on the substrate surface, also known as the coffee ring effect. To address these issues, a novel technique has been introduced, utilizing an acoustic levitator to suspend liquid droplets without contact with any material. During preconcentration, the water content of the droplet is evaporated using a CW laser, leaving behind the mineral residue for LIBS analysis. Quantifying boron is particularly challenging by the conventional LIBS technique in the standard UV-NIR spectral range due to the presence of only one detectable doublet at 249.7 nm, which is often subject to self-absorption. Optimization of the delay and gate times of the iCCD camera was performed using the branching ratio technique to evaluate the optically thin condition. A calibration curve was constructed by preparing solutions at different concentrations of H₃BO₃ in an aqueous solution and was represented as HBO₂, the LOD was found to be 28.7 mg/L (ppm) of HBO₂. Finally, trace amounts of boron in bottled mineral water were successfully determined as 34.7 mg/L of HBO₂ with a 12 % error margin.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"230 ","pages":"Article 107218"},"PeriodicalIF":3.2,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143891725","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Total-reflection X-ray fluorescence analysis (TXRF) of plant's guttation fluids as a new, fast, and non-invasive strategy for the assessment of the bioavailability of Zn, Cd and Pb in contaminated soils","authors":"Carlo Porfido ,&nbsp;Ignazio Allegretta ,&nbsp;Eva Marguí ,&nbsp;Matteo Garau ,&nbsp;Maria Vittoria Pinna ,&nbsp;Concetta Eliana Gattullo ,&nbsp;Roberto Terzano ,&nbsp;Matteo Spagnuolo","doi":"10.1016/j.sab.2025.107217","DOIUrl":"10.1016/j.sab.2025.107217","url":null,"abstract":"<div><div>The assessment of potentially toxic elements (PTE) concentration in biofluids is often used for the evaluation of their bioavailability in polluted environments. In the soil-plant system, the analysis of the composition of the xylem fluid can provide a real snapshot of the elements taken up from the soil by the plant. However, xylem collection is often difficult, and, for herbaceous plants, it requires cutting the plant. Alternatively, xylem can be collected through leaves as naturally exuded drops (i.e. guttation), thus in a fully non-destructive way. The guttation phenomenon is yet limited to micro-volumes, therefore the analysis with most techniques is challenging. For the first time, the capability and reliability of total-reflection X-ray fluorescence (TXRF) spectrometry for the quantification of PTE in plant's guttation fluids was tested in this work. In particular, the study was led on fluids sampled from <em>Lolium rigidum</em> plants grown in a soil contaminated with Zn, Cd, and Pb. Two different TXRF spectrometers were used and compared, equipped either with Mo- or W-anode-based X-ray sources; inductively coupled plasma optical emission spectroscopy (ICP-OES) and graphite furnace atomic absorption spectrometry GF-AAS were used as reference techniques. Differently from these latter, approximately 30 μL of sample were sufficient for the quantification of Zn, Cd, and Pb through TXRF (along with the determination of other essential plant nutrients). Furthermore, the comparison with ICP-OES and/or GF-AAS showed various improvements in using TXRF, including a fast sample preparation, a reduced use of chemicals, the multi-elemental capability. These results suggest that TXRF analysis of plant guttation fluids could represent a novel non-destructive, expeditious and “green” analytical approach for the study of Zn, Cd, Pb and other PTE availability in polluted soils.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"230 ","pages":"Article 107217"},"PeriodicalIF":3.2,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143876724","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Evaluation of analyte transfer rates and excitation conditions in the SC-GD by absorption and emission spectrometry","authors":"Yinchenxi Zhang,&nbsp;Jaime Orejas,&nbsp;María del Mar González del Campo,&nbsp;Jorge Pisonero,&nbsp;Nerea Bordel","doi":"10.1016/j.sab.2025.107216","DOIUrl":"10.1016/j.sab.2025.107216","url":null,"abstract":"<div><div>The solution cathode glow discharge (SCGD) is a compact atomization/excitation source sustained under ambient air using an aqueous solution as discharge cathode, offering limits of detection (LODs) for many elements in the periodic table within the mid to low ng/mL range when coupled to optical emission spectrometry (OES). Formic acid (HCOOH) is frequently included in the incoming solution as an additive for improved sensitivity; however, some reports have shown that the benefit of this additive depends on the concomitant ions present in the solution. It is widely assumed that the improvement in the analytical sensitivity comes from an enhanced sampling efficiency produced by a higher analyte transfer rate caused by HCOOH; accordingly, the coexisting ions are considered to alter the impact of this additive, probably through changing analyte transfer rates at the liquid-plasma interface. This work aims to provide a perspective of the analyte solution-to-plasma transfer in the SCGD at relevant solution content by means of atomic absorption spectrometry (AAS). For this purpose, a SCGD-AAS system was built and characterized using a pulsed Xenon lamp as radiation source. The absorption signals, together with the emission signals, corresponding to resonant transitions of Mg I (285.2 nm), Cu I (324.7 nm), Ag I (328.1 nm) and Li I (670.8 nm) were recorded at the following situations: (1) cation or anion concentrations up to 60 mM, including Na⁺, Ca²⁺, NO₃⁻ or Cl⁻; (2) HCOOH at concentrations ranging 0–7 %; (3) co-presence of the mentioned ions and HCOOH. The results provide information to discuss the influence of common coexisting cations and anions in real samples, together with the addition of a common sensitivity enhancer, HCOOH, on analyte transfer mechanisms in the SCGD, to understand the general working fundamentals of the technique and possible matrix effects when combined with OES detection.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"229 ","pages":"Article 107216"},"PeriodicalIF":3.2,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143848334","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A brief revision of the suspension-assisted direct solid analysis by TXRF spectrometry","authors":"Ramón Fernández-Ruiz","doi":"10.1016/j.sab.2025.107214","DOIUrl":"10.1016/j.sab.2025.107214","url":null,"abstract":"<div><div>This brief revision compiles and reexamines the general strategy developed thus far for quantifying the elemental composition of solid materials using TXRF without employing acid chemical manipulation based on the previous suspension of the solid samples. This kind of analysis converts to the TXRF methodology in a green chemical analytical alternative with higher care for the environment and low analytical cost. The reviewed TXRF methodology is the sum of a Suspension Assisted (SA), which uses grinding, ultrasound, and surfactant addition, in conjunction with the Direct Solid Analysis (DSA), where the continuous agitation of suspension, internal standardisation and final deposition are made for the quantitative analysis by means TXRF. A general TXRF solid suspension analysis (SA/DSA-TXRF) protocol is proposed and applied to analyse a commercial sample of bentonite clay used for cosmetic applications as a typical sample example. Several critical questions related to the general process of suspension and deposition are discussed. Two crucial examples are the correct transfer of the suspended sample, which can lead to high uncertainties, and the impact of deposition morphology. Finally, a simple empirical procedure is presented using the analytical results obtained in the commercial bentonite sample to evaluate methodological, roughness, and instrumental uncertainties in the SA/DSA-TXRF proposed methodology.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"229 ","pages":"Article 107214"},"PeriodicalIF":3.2,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143829364","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Quantification of ZnSO4 in aqueous solution by liquid-solid matrix transfer and double-pulse laser-induced breakdown spectroscopy","authors":"Peter Gschwandtner ,&nbsp;Florian Rudinger ,&nbsp;Stefan Trautner ,&nbsp;Christoph Ramsauer ,&nbsp;Georg Hölzl ,&nbsp;Thomas Röder ,&nbsp;Johannes D. Pedarnig","doi":"10.1016/j.sab.2025.107215","DOIUrl":"10.1016/j.sab.2025.107215","url":null,"abstract":"<div><div>The concentration of zinc sulfate in aqueous solution was measured by double-pulse (DP) laser-induced breakdown spectroscopy (LIBS). ZnSO₄ is an essential chemical in the spin bath liquid used for industrial production of viscose fibers from cellulose. For DP-LIBS the ZnSO₄ analyte was transferred from the water matrix to a solid cellulose matrix (commercial filtration paper). Various emission lines of Zn in the UV/VIS range were measured at 560 different positions on the dried paper sample. The line intensities were strongly varying across the sample as observed by LIBS imaging. Signal analysis revealed broad and bimodal distributions of intensities. Normalization of analyte intensities to emission lines from the matrix reduced the apparent inhomogeneity of samples and achieved monomodal signal histograms and good analytical figures of merit. The mean error of predicted concentration of ZnSO₄ in aqueous solutions was 0.19 g/L (samples with concentration C_ZnSO4 = 0–11 g/L). Applications of DP-LIBS in viscose fiber production is envisaged.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"229 ","pages":"Article 107215"},"PeriodicalIF":3.2,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143829365","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Outside Front Cover - Journal name, Cover image, Volume issue details, ISSN, Cover Date, Elsevier Logo and Society Logo if required","authors":"","doi":"10.1016/S0584-8547(25)00091-6","DOIUrl":"10.1016/S0584-8547(25)00091-6","url":null,"abstract":"","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"228 ","pages":"Article 107206"},"PeriodicalIF":3.2,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792207","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Elsevier/Spectrochimica Acta Atomic Spectroscopy Award 2024","authors":"Alessandro De Giacomo","doi":"10.1016/j.sab.2025.107205","DOIUrl":"10.1016/j.sab.2025.107205","url":null,"abstract":"","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"229 ","pages":"Article 107205"},"PeriodicalIF":3.2,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143791487","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}