The aim of the present study was to develop a passive absorptive equilibrium sampler that would enable the determination of the concentrations of polar organic compound (POC) in water more efficiently than existing techniques. To this end, a novel plastic material, poly(ethylene-co-vinyl acetate-co-carbon monoxide) (PEVAC), was evaluated and the results were compared with an existing silicone-based passive absorptive equilibrium device. Seven compounds (imidacloprid, carbendazim, metoprolol, atrazin, carbamazepine, diazinon, and chlorpyrifos), a mixture of pharmaceuticals, and pesticides with a logarithmic octanol-water partition coefficient ranging from 0.2 to 4.77 were selected as model substances for the experiments. The results showed that six of the seven selected POCs reached distribution equilibrium within 4 d in the two materials tested. A linear relation with a regression coefficient of more than 0.8906 between the established logarithmic absorbent-water partition coefficient and the calculated logarithmic dissociation partition coefficient of the selected compounds in the two polymers was observed. The correlation between these two coefficients was within one order of magnitude for the compounds that reached equilibrium in the two polymers, which demonstrates that both materials are suitable for mimicking biological uptake of POCs. The PEVAC material showed an enhanced sorption for all selected compounds compared to the silicone material and up to five times higher enrichment for the most polar compound. Fluorescence analysis of the sampler cross-section, following the uptake of fluoranthene, and proof that the sorption was independent of surface area variations demonstrated that the PEVAC polymer possessed absorptive rather than adsorptive enrichment of organic compounds.
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http://dx.doi.org/10.1897/09-036.1 | DOI Listing |
J Hazard Mater
January 2025
Shanxi Key Laboratory of Sorghum Genetic and Germplasm Innovation, Sorghum Research Institute, Shanxi Agricultural University, Jinzhong 030600, China.
The partitioning and migrating of antibiotic residues pose a considerable pollution to the river environment. However, a source-specific approach for quantifying the fate of antibiotics is lacking. To further elucidate the migration behavior of antibiotics from different pollution sources in aquatic environments, we introduced a source-specific partition coefficient (S-Kp) based on Positive Matrix Factorization (PMF) model to improve the multimedia model.
View Article and Find Full Text PDFEur J Med Chem
January 2025
University of Pisa, Department of Chemistry and Industrial Chemistry, Via G. Moruzzi 13, I-56124, Pisa, Italy. Electronic address:
The novel diiron amine complexes [FeCp(CO)(NHR')(μ-CO){μ-CN(Me)(Cy)}]CFSO [R' = H, 3; Cy, 4; CHCHNH, 5; CHCHNMe, 6; CHCH(4-CHOMe), 7; CHCH(4-CHOH), 8; Cp = η-CH, Cy = CH = cyclohexyl] were synthesized in 49-92 % yields from [FeCp(CO)(μ-CO){μ-CN(Me)(Cy)}]CFSO, 1a, using a straightforward two-step procedure. They were characterized by IR and multinuclear NMR spectroscopy, and the structure of 7 was confirmed through X-ray diffraction analysis. Complexes 3-8 and the acetonitrile adducts [FeCp(CO)(NCMe)(μ-CO){μ-CN(Me)(R)}]CFSO (R = Cy, 2a; Me, 2b; Xyl = 2,6-CHMe, 2c) were assessed for their water solubility, octanol-water partition coefficient and stability in physiological-like solutions.
View Article and Find Full Text PDFLipophilicity and blood partitioning are important determinants for predicting toxicokinetics using physiologically-based toxicokinetic (PBTK) modeling. In this study, the logarithm of the -octanol:water partition coefficient (log) and the blood-to-plasma concentration ratio ( ) were for the first time experimentally determined for the pyrrolizidine alkaloids (PAs) intermedine, lasiocarpine, monocrotaline, retrorsine and their -oxides (PANOs). Validated assays for log (miniaturized shake-flask method) and (LC-MS/MS-based depletion assay) determination were compared to an ensemble of models.
View Article and Find Full Text PDFGeriatrics (Basel)
January 2025
School of Telematics, University of Colima, Colima 28040, Mexico.
: Hospitalization among older adults is a growing challenge in Mexico due to the high prevalence of chronic diseases and limited public healthcare resources. This study aims to develop a predictive model for hospitalization using longitudinal data from the Mexican Health and Aging Study (MHAS) using the random forest (RF) algorithm. : An RF-based machine learning model was designed and evaluated under different data partition strategies (ST) with and without variable interaction.
View Article and Find Full Text PDFEnviron Toxicol Chem
January 2025
Department of Environmental Engineering, Faculty of Engineering, Bursa Uludag University, 16059 Nilüfer/Bursa-Türkiye.
This study evaluates atmospheric polycyclic aromatic hydrocarbon (PAH) concentrations in a semi-urban area, Görükle, Turkey, from June 2021 to February 2022. The average concentration of ∑16 PAHs was 24.85 ± 19.
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