Journal of Analytical Atomic Spectrometry最新文献

{"title":"Determination and correction of systematic errors in surface-enhanced LIBS","authors":"Dongdong Li, Kelong Liu, Zhongfa Sun, Xinyan Yang and Xianfeng Zheng","doi":"10.1039/D6JA00005C","DOIUrl":"https://doi.org/10.1039/D6JA00005C","url":null,"abstract":"<p >Surface-enhanced laser-induced breakdown spectroscopy (SENLIBS) enhances the detection sensitivity for liquid analysis by transforming the sample into a solid-phase analyte layer on a substrate surface. However, this process introduces solid substrate-induced matrix effects, which manifest as proportional and constant systematic errors and ultimately compromise quantitative accuracy. This study employs ANCOVA to identify systematic errors by comparing the slopes of Basic Calibration (BC), Youden Calibration (YC), and Standard Addition Calibration (SAC). To address these errors, a novel calibration strategy that combines matrix dilution with Youden calibration is then proposed. The method was validated with Cr and Pb in water; it improved quantitative accuracy by up to 97.5% and 97.0%, respectively, across different standard addition systems. Recovery tests with real wastewater samples further confirmed its practicality, achieving a Pb recovery rate of 95.0%. The proposed hybrid correction framework provides a robust, model-based solution for enhancing the accuracy of SENLIBS in trace element analysis.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 6","pages":" 2068-2073"},"PeriodicalIF":3.1,"publicationDate":"2026-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148202837","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":"Continuous-flow analyses of calcium isotopes using a Neoma MC-ICPMS/MS with H2 or SF6","authors":"Emmanuelle Albalat, Philippe Télouk and Vincent Balter","doi":"10.1039/D6JA00025H","DOIUrl":"https://doi.org/10.1039/D6JA00025H","url":null,"abstract":"&lt;p &gt;This paper reports Ca isotope ratio measurements (&lt;em&gt;n&lt;/em&gt; = 1000) from May 2024 to October 2025 using a Neoma MC-ICPMS/MS equipped with a continuous flow sample introduction system (micro&lt;em&gt;FAST&lt;/em&gt; Isotope 2) and dry plasma. Using H&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt; in the collision/reaction cell, the sensitivity ranges from ∼500 to 1000 V ppm&lt;small&gt;&lt;sup&gt;−1&lt;/sup&gt;&lt;/small&gt; in the low-resolution mode for &lt;small&gt;&lt;sup&gt;40&lt;/sup&gt;&lt;/small&gt;Ca with typical noise-to-signal ratios of &lt;em&gt;ca.&lt;/em&gt; 0.2%. The associated reproducibility is 120, 130, 80, and 70 ppm (±2 SD, &lt;em&gt;n&lt;/em&gt; = 716) on the &lt;em&gt;δ&lt;/em&gt;&lt;small&gt;&lt;sup&gt;44/40&lt;/sup&gt;&lt;/small&gt;Ca, &lt;em&gt;δ&lt;/em&gt;&lt;small&gt;&lt;sup&gt;43/40&lt;/sup&gt;&lt;/small&gt;Ca, &lt;em&gt;δ&lt;/em&gt;&lt;small&gt;&lt;sup&gt;42/40&lt;/sup&gt;&lt;/small&gt;Ca, and &lt;em&gt;δ&lt;/em&gt;&lt;small&gt;&lt;sup&gt;44/42&lt;/sup&gt;&lt;/small&gt;Ca values, respectively. Effects of concentration or matrix mismatches between the sample and standard were scrutinised over four sessions. We find that mismatch offsets, despite being expectedly linear, can have a positive or negative influence on the Ca isotope ratios, confirming that these are session-dependent rather than instrument-dependent. In all cases, the concentration mismatch is corrected using the adjustable injection flow rate of the sample introduction system. The overall accuracy of the method is acknowledged using a series of twelve certified reference materials with various biological matrices. While the Sr&lt;small&gt;&lt;sup&gt;2+&lt;/sup&gt;&lt;/small&gt; double charge interferences are generally corrected up to a Sr/Ca ratio of 1–2% by monitoring &lt;small&gt;&lt;sup&gt;87&lt;/sup&gt;&lt;/small&gt;Sr&lt;small&gt;&lt;sup&gt;2+&lt;/sup&gt;&lt;/small&gt;, we, however, explore the potential of using SF&lt;small&gt;&lt;sub&gt;6&lt;/sub&gt;&lt;/small&gt; as a reaction gas to measure Ca isotope ratios free of these interferences. Using SF&lt;small&gt;&lt;sub&gt;6&lt;/sub&gt;&lt;/small&gt; in the collision/reaction cell, the sensitivity drastically drops to &lt;em&gt;ca&lt;/em&gt;. 100 V ppm&lt;small&gt;&lt;sup&gt;−1&lt;/sup&gt;&lt;/small&gt; in the low-resolution mode with representative blank/signal ratios of &lt;em&gt;ca&lt;/em&gt;. 0.2%. Under these conditions, the typical reproducibility is 140 and 90 ppm (±2 SD, &lt;em&gt;n&lt;/em&gt; = 265) on the &lt;em&gt;δ&lt;/em&gt;&lt;small&gt;&lt;sup&gt;44/40&lt;/sup&gt;&lt;/small&gt;CaF and &lt;em&gt;δ&lt;/em&gt;&lt;small&gt;&lt;sup&gt;42/40&lt;/sup&gt;&lt;/small&gt;CaF values, respectively, with the &lt;small&gt;&lt;sup&gt;43&lt;/sup&gt;&lt;/small&gt;Ca&lt;small&gt;&lt;sup&gt;19&lt;/sup&gt;&lt;/small&gt;F&lt;small&gt;&lt;sup&gt;+&lt;/sup&gt;&lt;/small&gt; signal being too low to be measured. We find that the &lt;small&gt;&lt;sup&gt;42&lt;/sup&gt;&lt;/small&gt;CaF/&lt;small&gt;&lt;sup&gt;40&lt;/sup&gt;&lt;/small&gt;CaF ratio is remarkably exempt from concentration mismatch up to 30% and from Sr&lt;small&gt;&lt;sup&gt;2+&lt;/sup&gt;&lt;/small&gt; double charge interferences up to a Sr/Ca ratio of 20%. However, the &lt;small&gt;&lt;sup&gt;44&lt;/sup&gt;&lt;/small&gt;Ca&lt;small&gt;&lt;sup&gt;19&lt;/sup&gt;&lt;/small&gt;F&lt;small&gt;&lt;sup&gt;+&lt;/sup&gt;&lt;/small&gt; mass does not react in a mass-dependent manner, such that the &lt;em&gt;δ&lt;/em&gt;&lt;small&gt;&lt;sup&gt;44/40&lt;/sup&gt;&lt;/small&gt;CaF and &lt;em&gt;δ&lt;/em&gt;&lt;small&gt;&lt;sup&gt;44/42&lt;/sup&gt;&lt;/small&gt;CaF values are correlated with a slope of &lt;em&gt;ca.&lt;/em&gt; 1 instead of &lt;em&gt;ca.&lt;/em&gt; 2. The immunity of the &lt;small&gt;&lt;sup&gt;42&lt;/sup&gt;&lt;/small&gt;CaF/&lt;small&gt;&lt;sup&gt;40&lt;/sup&gt;&lt;/small&gt;CaF ratio f","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 6","pages":" 2107-2116"},"PeriodicalIF":3.1,"publicationDate":"2026-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148202841","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":"Automated online SPE-ICP-MS for ultra-trace determination of mercury in freshwaters","authors":"Alejandro R. López, Simone Mason, Sandro Recchia, Damiano Monticelli and Davide Spanu","doi":"10.1039/D6JA00046K","DOIUrl":"https://doi.org/10.1039/D6JA00046K","url":null,"abstract":"<p >Mercury (Hg) contamination in aquatic environments requires analytical methods capable of reliable ultra-trace quantification to support environmental monitoring, regulatory compliance and, ultimately, health risk assessment. Conventional approaches often involve labor-intensive preparation, derivatization steps, or insufficient sensitivity for pristine waters. To overcome these limitations, solid-phase extraction (SPE) has been increasingly employed to preconcentrate Hg prior to detection; however, existing strategies typically rely on complex, customized sorbents, offline procedures, or additional hyphenated techniques for speciation, which increase cost, time, and operational complexity. In this study, we present a fully automated online SPE-inductively coupled plasma mass spectrometry (SPE-ICP-MS) method for total Hg determination in natural waters. The method exploits thiourea-assisted complexation of inorganic and organic Hg species, enabling their simultaneous retention on a cation-exchange resin and species-independent elution with 1 M HCl. Adjustable accumulation times allow tuning between rapid analysis and enhanced sensitivity. Under optimized conditions, the method achieves a detection limit of 0.93 ng L<small>⁻¹</small>, a linear range up to 1600 ng L<small>⁻¹</small>, and accurate recoveries (96–104%) in mineral water samples. Compared with established analytical protocols, the developed system offers competitive sensitivity while enabling high-throughput and simple operation. These features make this method suitable for routine Hg monitoring.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 6","pages":" 1997-2004"},"PeriodicalIF":3.1,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ja/d6ja00046k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148202882","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":"Combination of ultrasonic nebulization and thermal drying to assist LIBS (UNTD-LIBS): a sensitive online method for heavy metal element analysis in liquid samples","authors":"Changhong Zhang, Junxian Lu, Shoujiang Zhang, Yunpeng Dai, Peng Zhu and Shilei Zhong","doi":"10.1039/D6JA00045B","DOIUrl":"https://doi.org/10.1039/D6JA00045B","url":null,"abstract":"<p >Online and highly sensitive detection technology for heavy metal elements in water is of great significance for preventing water pollution and enforcing relevant environmental protection standards. Based on laser-induced breakdown spectroscopy (LIBS) technology, a novel LIBS detection method combining ultrasonic nebulization technology and thermal drying technology (UNTD-LIBS for short) was proposed in this paper. In this method, an ultrasonic nebulizer is used to convert liquid samples into massive micro-droplets, and a resistive electric heating coil in conjunction with a condenser tube is subsequently employed to transform the liquid droplet aerosol into an aerosol composed of quasi-solid particles, thereby improving the signal quality of LIBS detection. Using a newly established integrated online system equipped with nebulization, thermal drying, and LIBS analysis capabilities, a series of experimental studies were conducted targeting six heavy metal elements: zinc (Zn), cadmium (Cd), chromium (Cr), nickel (Ni), manganese (Mn), and copper (Cu). Experimental results demonstrate that after optimizing parameters such as heating temperature, sample injection rate, and laser energy, the absolute intensity, signal-to-background ratio (SBR), and signal-to-noise ratio (SNR) of the six elements are significantly improved. Compared with liquid droplet aerosol samples without thermal drying, the average SNR of spectral peaks for the six elements increases by 4.20 times, with a maximum increase of 14.39 times. The detection limits of the six elements all reach the order of approximately 0.1 mg L<small>⁻¹</small>, showing an advantage of 1–2 orders of magnitude compared with other online-capable LIBS technologies and basically meeting the quantitative limit requirements of relevant standards. Results of plasma temperature and density indicate that thermal drying facilitates the formation of plasma with similar temperature and higher density, thereby promoting signal improvement. Quantitative inversion experiments of six target heavy metal elements in six samples with different concentrations show that within the concentration range of 15–65 mg L<small>⁻¹</small>, the method achieves an average inversion error of 7.62% and a minimum error of only 0.67% for heavy metal concentrations. Considering that this method retains the continuous online operation capability inherent to LIBS technology while significantly improving sensitivity, it holds great potential for development into an on-site, real-time, and highly sensitive detection technology for trace heavy metal elements in water in the field of water environmental monitoring.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 6","pages":" 2137-2149"},"PeriodicalIF":3.1,"publicationDate":"2026-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148202844","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 absolute isotope ratios of vanadium by internal standardisation","authors":"D. Malinovsky, P. J. H. Dunn, B. A. Engin and H. Goenaga-Infante","doi":"10.1039/D5JA00509D","DOIUrl":"https://doi.org/10.1039/D5JA00509D","url":null,"abstract":"<p >Due to the prohibitively high cost of materials enriched in the <small>⁵⁰</small>V isotope, internal standardisation is the only viable method for the determination of absolute vanadium isotope ratios by mass spectrometry. This work describes methodology that applies, for the first time, internal standardisation to the determination of <em>n</em>(<small>⁵¹</small>V)/<em>n</em>(<small>⁵⁰</small>V) isotope ratios by multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS). To achieve this, solutions of vanadium standard NIST SRM 3165 were doped with iron standard IRMM-014 with certified Fe isotope amount ratios, which was used as a calibrant in the measurements. A comparison of the performance of the established models to correct for instrumental mass fractionation showed that although the mean <em>n</em>(<small>⁵¹</small>V)/<em>n</em>(<small>⁵⁰</small>V) values obtained by the regression model and the exponential model were statistically indistinguishable (399.8 ± 12.6 and 397.3 ± 1.7, <em>U</em><small>_expanded</small>, <em>k</em> = 2, respectively), their uncertainties were remarkably different. High uncertainty of the <em>n</em>(<small>⁵¹</small>V)/<em>n</em>(<small>⁵⁰</small>V) value by the regression model was attributed to bias arising due to heterogeneity of variance of measured data on the log scale in a situation when isotope ratios of an analyte and an internal standard are significantly different. By its nature, the regression model offered an important advantage of assumption-free calibration, and, following its unsatisfactory performance, a new calibration method that does not rely on <em>a priori</em> assumed functional form of instrumental isotope fractionation was developed in this study. The new method is based on extracting a calibration factor for measured <small>⁵¹</small>V/<small>⁵⁰</small>V ratios from the relationship constructed between calibration factors obtained for measured isotope ratios of the internal standard and ratios of relative atomic masses making up these ratios (<small>⁵⁶</small>Fe/<small>⁵⁴</small>Fe, <small>⁵⁷</small>Fe/<small>⁵⁴</small>Fe and <small>⁵⁷</small>Fe/<small>⁵⁶</small>Fe). The data obtained allowed us to re-determine the atomic weight of vanadium in NIST SRM 3165, to get <em>A</em><small>_r</small>(V) = 50.94146 ± 0.00003 (<em>U</em><small>_expanded</small>, <em>k</em> = 2), with the uncertainties improved by a factor of four as compared to the last estimate made in 1977.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 5","pages":" 1928-1937"},"PeriodicalIF":3.1,"publicationDate":"2026-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ja/d5ja00509d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147872279","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":"All-solid-state fluorine mapping by BaF+ formation from surface-coated barium in femtosecond LA-ICP-MS/MS","authors":"Yoshitaka Saijo, Makiko Murata, Yuya Hamada and Junichi Hirata","doi":"10.1039/D6JA00073H","DOIUrl":"https://doi.org/10.1039/D6JA00073H","url":null,"abstract":"<p >We present a novel all-solid-state approach for fluorine mapping using LA-ICP-MS/MS, where barium is introduced <em>via</em> surface coating rather than liquid nebulization. This method enables the formation of BaF<small>⁺</small> ions directly from solid samples without instrument modification. Applied to fluorine-containing glass specimens, the technique demonstrated imaging performance while minimizing spectral interferences through optimized plasma and reaction cell conditions. This simplified strategy expands the applicability of BaF<small>⁺</small>-based fluorine analysis and offers a platform for spatially resolved elemental imaging across diverse solid materials.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 6","pages":" 1990-1996"},"PeriodicalIF":3.1,"publicationDate":"2026-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148202881","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":"Correction: Rapid, accurate, and reagent-free determination of chlorine concentration in glass by femtosecond LA-ICP-MS/MS with a scanning galvo mirror system using hydrogen as reaction gas","authors":"Yoshitaka Saijo, Makiko Murata and Junichi Hirata","doi":"10.1039/D6JA90019D","DOIUrl":"https://doi.org/10.1039/D6JA90019D","url":null,"abstract":"<p >Correction for ‘Rapid, accurate, and reagent-free determination of chlorine concentration in glass by femtosecond LA-ICP-MS/MS with a scanning galvo mirror system using hydrogen as reaction gas’ by Yoshitaka Saijo <em>et al.</em>, <em>J. Anal. At. Spectrom.</em>, 2026, <strong>41</strong>, 568–575, https://doi.org/10.1039/D5JA00296F.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 5","pages":" 1964-1964"},"PeriodicalIF":3.1,"publicationDate":"2026-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ja/d6ja90019d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147872150","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":"In situ Rb/Sr dating of potassium salt minerals (sylvite and carnallite) by 157 nm LA-ICP-MS/MS","authors":"Martin Kutzschbach, Tobias Erhardt, Michael Mertineit, Linda Marko, Michael Schramm, Lisa Richter, Wilhelm Nikonow and Wolfgang Müller","doi":"10.1039/D6JA00085A","DOIUrl":"https://doi.org/10.1039/D6JA00085A","url":null,"abstract":"<p >Evaporite deposits are of increasing societal importance as potential repositories for high-level radioactive waste and host lithologies for the subsurface storage of natural gas and hydrogen. To conduct robust long-term risk assessments (particularly with respect to the timing of deposition and deformation), the geological history of such deposits must be reconstructed accurately. However, direct geochronometric methods applicable to evaporites remain very limited and ages may be obtained only indirectly <em>via</em> dating of detrital minerals. We report the first application of reaction-cell laser ablation-inductively coupled plasma-tandem mass spectrometry (LA-ICP-MS/MS), using a recently developed dual-wavelength laser system (193 nm and 157 nm), to potassium salt minerals (sylvite and carnallite) from the Morsleben site (NE Germany), which is hosted within a salt structure of Permian age. Compared with 193 nm, ablation at 157 nm is more controlled and shows less Rb–Sr elemental fractionation. Despite low (6–40 ng g<small>⁻¹</small>) strontium concentrations, the salt minerals contain almost exclusively radiogenic <small>⁸⁷</small>Sr (∼99%), which enables the determination of precise (∼3%) single-spot Rb–Sr ages that are independent of the initial <small>⁸⁷</small>Sr/<small>⁸⁶</small>Sr. Kernel density estimates of these single-spot ages reveal four dominant age modes at ∼4 Ma, ∼14 Ma, ∼33 Ma and ∼91 Ma. These ages are consistent with the few previously published data from Morsleben and nearby salt mines, and could be linked to regional tectonic events. We demonstrate, for the first time, the potential of <em>in situ</em> LA-ICP-MS/MS as a direct (and rapid) geochronological tool for evaporite deposits at a spatial resolution of ≤100 µm.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 6","pages":" 1978-1989"},"PeriodicalIF":3.1,"publicationDate":"2026-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ja/d6ja00085a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148202880","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":"Comparison and optimization of chromatographic separation methods for the accurate measurement of antimony isotopic composition","authors":"Jianfeng Liu, Shengliu Yuan, Wengang Liu, Wang Zheng, Hongming Cai, Wei Yuan and Jiubin Chen","doi":"10.1039/D6JA00044D","DOIUrl":"https://doi.org/10.1039/D6JA00044D","url":null,"abstract":"<p >Antimony (Sb) isotopes are robust and useful geochemical markers for tracing the sources, transport and transformation of Sb in various environments. Accurate Sb isotope analysis necessitates rigorous offline chemical separation and/or preconcentration, generally achieved through three primary column-based techniques (with AG 1-X4/AG 50W-X8 resin, AG 50W-X8/thiol silica resin, and AG 50W-X8/Amberlite IRA 743 resin). However, the applicability of these techniques across diverse sample matrices has not been well explored. In this study, we performed the first systematic comparison and evaluation of these three separation protocols under the same criteria and further optimized them to address their respective matrix-specific limitations. Our optimized protocols yielded quantitative Sb recoveries (95–105%), and the measured <em>δ</em><small>¹²³</small>Sb values of geological reference materials by MC-ICP-MS agreed well with literature values within analytical uncertainty, demonstrating good inter-method reproducibility. Comparative <em>δ</em><small>¹²³</small>Sb determinations of the same geological sample sets further validated the accuracy of the three optimized protocols, while their applicability was shown to be matrix-dependent. This work highlights the importance of performing a critical comparison of various analytical methods and establishes practical guidelines for the accurate measurement of Sb isotope ratios using different separation protocols with MC-ICP-MS.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 6","pages":" 2024-2036"},"PeriodicalIF":3.1,"publicationDate":"2026-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148202888","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":"Single- and dual-isotopic analysis using high-resolution continuum-source graphite-furnace molecular absorption. Strategies for data selection, processing, and modeling","authors":"André L. M. de Souza, Maite Aramendía, Esperanza García-Ruiz, Flávio V. Nakadi, Javier Resano and Martín Resano","doi":"10.1039/D6JA00062B","DOIUrl":"https://doi.org/10.1039/D6JA00062B","url":null,"abstract":"<p >This work evaluates different strategies for data processing, aiming at achieving isotopic information <em>via</em> high-resolution continuum-source graphite-furnace molecular absorption. For this purpose, two different molecules are investigated: CaF and CaCl. In the first case, only the measurement of <small>⁴⁴</small>Ca and <small>⁴⁰</small>Ca is pursued, whereas in the second case, isotopic variations affect both elements present in the molecule (<small>⁴⁴</small>Ca and <small>⁴⁰</small>Ca, but also <small>³⁷</small>Cl and <small>³⁵</small>Cl). Thus, two different approaches are proposed. For Ca isotopic analysis through the monitoring of CaF, the effects of selecting the number of detection pixels and the number of molecular spectra, as well as of using a regression approach for temporal data, are discussed. Overall, using three detector pixels and using this regression approach tend to produce the best results (0.5–1.0% RSD) for isotopic analysis <em>via</em> HR CS GFMAS in those situations in which the signal can be derived from two separate peaks. On the other hand, to perform simultaneous Ca and Cl isotopic analysis by monitoring CaCl, a machine-learning strategy is proposed. The performance of such a model is promising for isotopic abundances of at least 10% (median absolute percentage error of 1.21%), while the error escalates when one of the isotopes shows a lower abundance. To detect such underperforming situations in real-world settings, it is recommended to monitor the prediction uncertainty to set thresholds and flag results with poor reliability.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 5","pages":" 1951-1963"},"PeriodicalIF":3.1,"publicationDate":"2026-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ja/d6ja00062b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147872149","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}