Determination of boron isotope ratios by high-resolution continuum source molecular absorption spectrometry using graphite furnace vaporizers

Abad, C.; Florek, Stefan; Becker‐Ross, Helmut; Huang, Mei; Heinrich, Hans-Joachim; Recknagel, Sebastian; Vogl, Jochen; Jakubowski, Norbert; Panne, Ulrich

doi:10.1016/j.sab.2017.08.012

Cited by 20 publications

(17 citation statements)

References 50 publications

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“…The same approach was applied for the trace analysis of Br and Ca [18,19]. Additionally, accurate isotope ratios, which are the core of ID-MS applications, can be achieved by HR-CS-MAS and HR-CS-AAS using modern methods for data analysis like partial least square regression and machine learning, as was demonstrated for B and Li, respectively [20,21]. In this latter work on Li isotope ratio analysis, the electronic transition 2 2 P←2 2 S was explored.…”

Section: Several Analytical Methods For the Quantification Of LI In Bmentioning

confidence: 99%

Determination of Lithium in Human Serum by Isotope Dilution Atomic Absorption Spectrometry

Winckelmann¹,

Morcillo²,

Richter³

et al. 2021

Preprint

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The therapeutic dose of lithium (Li) compounds, which are widely used for the treatment of psychiatric and hematologic disorders, is close to its toxic level; therefore, drug monitoring protocols are mandatory. Herein, we propose a fast, simple, and low-cost analytical procedure for the traceable determination of Li concentration in human serum, based on the monitoring of the Li isotope dilution through the partially resolved isotope shift in its electronic transition around 670.80 nm using a commercially available high-resolution continuum source graphite furnace atomic absorption spectrometer. With this technique, serum samples only require acidic digestion before analysis. The procedure requires three measurements—an enriched 6Li spike, a mixture of a certified standard solution and spike, and a mixture of the sample and spike with a nominal 7Li/6Li ratio of 0.82. Lanthanum has been used as an internal spectral standard for wavelength correction. The spectra are described as the linear superposition of the contributions of the respective isotopes, each consisting of a spin-orbit doublet, which can be expressed as Gaussian components with constant spectral position and width and different relative intensity, reflecting the isotope ratio in the sample. Both, the spectral constants and the correlation between isotope ratio and relative band intensity have been experimentally obtained using commercially available materials enriched with Li isotopes. The procedure has been validated using five human serum certified reference materials. The results are metrologically comparable and compatible to the certified values. The measurement uncertainties are comparable to those obtained by the more complex and expensive technique, isotope dilution mass spectrometry.

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Section: Several Analytical Methods For the Quantification Of LI In Bmentioning

confidence: 99%

Determination of Lithium in Human Serum by Isotope Dilution Atomic Absorption Spectrometry

Winckelmann¹,

Morcillo²,

Richter³

et al. 2021

Preprint

Self Cite

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“…A mixture of 1 % trifluoromethane N5.0 in Ar (GHC Gerling, Holz & Co., Hamburg, Germany) was used as the secondary gas to avoid the formation of lithium carbides and a subsequent memory effect. 32 A volume of 10 µL of each sample with a Li mass concentration of 25 µg L −1 was injected for each measurement. were analyzed; extinction maxima of approximately 0.04 and 0.05 were observed, respectively.…”

Section: Measurements Using Hr-cs-gf-aasmentioning

confidence: 99%

High-Resolution Atomic Absorption Spectrometry Combined With Machine Learning Data Processing for Isotope Amount Ratio Analysis of Lithium

et al. 2021

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An alternative method for lithium isotope amount ratio analysis based on a combination of high-resolution atomic absorption spectrometry and spectral data analysis by machine learning (ML) is proposed herein. It is based on the well-known isotope shift of approximately 15 pm for the electronic transition 2 2 P←2 2 S at around the wavelength of 670.8 nm, which can be measured by state-of-the-art high-resolution continuum source graphite furnace atomic absorption spectrometry. For isotope amount ratio analysis, a scalable tree boosting ML algorithm (XGBoost) was employed and calibrated using a set of samples with 6 Li isotope amount fractions ranging from 0.06 to 0.99 mol mol −1 , previously determined by multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS). The calibration ML model was validated with two certified reference materials (LSVEC and IRMM-016). The procedure was applied to the isotope amount ratio determination of a set of stock chemicals (Li 2 CO 3 , LiNO 3 , LiCl, and LiOH) and a BAM candidate reference material, that is, LiNi 1/3 Mn 1/3 Co 1/3 O 2 (NMC111) cathode material. The results of these determinations were compared with those obtained by MC-ICP-MS and found to be metrologically comparable and compatible. The residual bias was −1.8‰ and the precision obtained ranged from 1.9‰ to 6.2‰. This precision was sufficient to resolve naturally occurring variations, as demonstrated for samples ranging from approximately −3‰ to +15‰. To assess its suitability to technical applications, the NMC111 cathode candidate reference material was analyzed using high-resolution continuum source molecular absorption spectrometry with and without matrix purification. The results obtained were metrologically compatible with each other. File list (2) download file view on ChemRxiv Manuscript_Preprint_20210115.pdf (703.18 KiB) download file view on ChemRxiv ESI_Manuscript_20210115.pdf (210.73 KiB)High-resolution atomic absorption spectrometry combined with machine learning data processing for isotope amount ratio analysis of lithium

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“…However, it was demonstrated that it is feasible to directly determine Br in solid samples despite the presence of interferences of chemical origin (e.g., very high Cl levels, which decrease the formation of CaBr due to the formation of CaCl instead 53 ) using ID for calibration. The last work reporting on this approach has been published by Abad et al 67 In this work, B is the analyte, but instead of monitoring B atomic lines, BH was formed and measured via HR CS GFMAS. The expected difficulties for B vaporization discussed before were circumvented by a mixture of liquid and gas phase modifiers: an CaCl 2 solution with the aim to minimize the level of oxygen in the furnace and decrease the formation of boron carbide; a mannitol solution to prevent the formation of volatile boron species; X-100 triton as surfactant; 2% CHF 3 in Ar to minimize memory effects; and 2% H 2 in Ar as primary gas.…”

Section: Isotopic Analysis Via Molecular Monitoringmentioning

confidence: 99%

Quo vadishigh-resolution continuum source atomic/molecular absorption spectrometry?

Resano

García-Ruiz

Aramendía

et al. 2019

J. Anal. At. Spectrom.

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Determination of boron isotope ratios by high-resolution continuum source molecular absorption spectrometry using graphite furnace vaporizers

Cited by 20 publications

References 50 publications

Determination of Lithium in Human Serum by Isotope Dilution Atomic Absorption Spectrometry

Determination of Lithium in Human Serum by Isotope Dilution Atomic Absorption Spectrometry

High-Resolution Atomic Absorption Spectrometry Combined With Machine Learning Data Processing for Isotope Amount Ratio Analysis of Lithium

Quo vadishigh-resolution continuum source atomic/molecular absorption spectrometry?

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