ArticleACS omega2026
CCD-Optimized UA-DMSPE Combined with DFT Assisted Selection of a Novel Anthraquinone-Based Sorbent for Pb(II) and Cd(II) Determination in Rice and Paddy Soil.
Article in ACS omega, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Authors and funding
4 authors.
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Abstract
In this study, a novel ultrasound-assisted dispersive micro solid-phase extraction (UA-DMSPE) method coupled with flame atomic absorption spectrometry (FAAS) was developed for the rapid, reliable, low-cost, and environmentally friendly determination of Pb-(II) and Cd-(II) ions in rice and paddy soil samples. Three novel anthraquinone-derived ligands, not previously reported in the literature, were synthesized and their metal-binding behaviors were evaluated through density functional theory (DFT) calculations. Based on Frontier molecular orbital (FMO), molecular electrostatic potential (MEP), and global reactivity descriptor analyses, Derivative 2, exhibiting the lowest HOMO-LUMO energy gap (Δ
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