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Fractional factorial optimization of methylmercury determination and regional discrimination in marine organisms

Autoři: Piroutková Martina | Varrà Maria Olga | Husáková Lenka | Bachtíková Tereza | Zanardi Emanuela

Rok: 2025

Druh publikace: ostatní - článek ve sborníku

Název zdroje: Proceedings of the 21st International Students Conference "Modern Analytical Chemistry"

Název nakladatele: Univerzita Karlova. Přírodovědecká fakulta

Místo vydání: Praha

Strana od-do: 72

Tituly:

Jazyk	Název	Abstrakt	Klíčová slova
eng	Fractional factorial optimization of methylmercury determination and regional discrimination in marine organisms	Methylmercury (MeHg) is the most toxic mercury species and poses significant health risks owing to its high bioaccumulation potential in marine organisms. Its quantification typically relies on advanced techniques such as gas chromatography-mass spectrometry (GC-MS) or high-performance liquid chromatography-mass spectrometry (HPLC-MS), which are time-consuming and resource-intensive. As a more accessible alternative, thermo-oxidative quantification can be used, provided that MeHg is selectively extracted beforehand. In this study, we developed a simplified, time-efficient extraction protocol that minimizes both sample and reagent consumption. A fractional factorial design was employed to evaluate eight experimental variables simultaneously and identify the optimal extraction conditions. The method was validated with certified reference materials (ERM-BB422 and DOLT-5) and applied to 50 squid samples collected from the Mediterranean Sea and the Atlantic Ocean. MeHg concentrations were generally higher in Mediterranean specimens. To assess regional differences, a support vector machine (SVM) classifier was trained on the analytical data and successfully distinguished samples by provenance. The method exhibits good repeatability and analytical robustness, making it suitable for routine monitoring of MeHg in marine biota.	Methylmercury, Marine organisms, Fractional factorial design, Thermo-oxidative analysis, Regional discrimination

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