Comparative analysis of in vivo and in silico toxicity evaluation of the organoiodine compounds towards D. magna using multivariate chemometric approach: A study on the example of amiodarone phototransformation products

Trawiński, Jakub; Skibiński, Robert

doi:10.1016/j.chemosphere.2021.133420

Cited by 4 publications

(2 citation statements)

References 31 publications

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“…We calculated some physicochemical properties, environmental behaviors, and toxicities of I-PFAAs and their I → F-exchanged PFAA analogues using computational toxicology and environmental simulation software (Tables S11 and S12). These software may involve training sets for fluorinated substances and iodinated compounds and have been successfully applied to property estimation and toxicity predication for PFASs and iodinated organic compounds. − As shown in Figure S55a, the log Kow values of I-PFAAs are higher than those of the corresponding PFAA analogues, indicating that the introduction of iodine enhances the hydrophobicity. The atmospheric degradation half-lives show that the I-PFAAs and their PFAA analogues in general exhibit similar persistent properties (Figure S55b).…”

Section: Resultsmentioning

confidence: 99%

First Discovery of Iodinated Polyfluoroalkyl Acids by Nontarget Mass-Spectrometric Analysis and Iodine-Specific Screening Algorithm

Tang

Zhu

Liang

et al. 2023

Environ. Sci. Technol.

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Per-and polyfluoroalkyl acids (PFAAs) including polyfluoroalkyl carboxylic acids and polyfluoroalkyl sulfonic acids are a large category of crucial environmental pollutants of global concern. Besides known PFAAs, numerous unknown species may exist in the environment, urgently needing discovery and characterization. This study implemented nontarget analysis for a group of novel PFAA pollutants, viz., iodinated PFAAs (I-PFAAs) in wastewater from a fluorochemical manufacturing park by liquid chromatography−high-resolution mass spectrometry in combination with an iodine-specific data-processing algorithm. The algorithm took into account the diagnostic fragment iodine ion (I − ) together with carbon and sulfur isotopologue distributions. In total, 18 I-PFAA formulas involving 21 congeners were identified. Semiquantification was conducted, and the total concentrations of I-PFAAs were 1.9−274.7 μg/L, indicating severe pollution of I-PFAAs in the wastewater. The determined concentrations along with predicted environmental behaviors and toxicities demonstrate that I-PFAAs merit further in-depth investigation. The analytical method including the instrumental analysis and data-processing algorithm can be extended to screening and identification of I-PFAAs in other matrices. Furthermore, the analysis results for the first time provide recognition on the occurrence, distribution features, and pollution status of I-PFAAs in the environment.

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Section: Resultsmentioning

confidence: 99%

First Discovery of Iodinated Polyfluoroalkyl Acids by Nontarget Mass-Spectrometric Analysis and Iodine-Specific Screening Algorithm

Tang

Zhu

Liang

et al. 2023

Environ. Sci. Technol.

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“…Photochemical transformation together with a toxicity test of photoproduct mixtures was recently investigated for verapamil by Klementová et al (2020), and for amiodarone by Trawiński and Skibiński (2022). Klementová et al (2020) found that phototransformation of verapamil resulted in the formation of norverapamil and a series of twenty-one other minor products.…”

Section: Antiarrhythmic Drugsmentioning

confidence: 99%

Selected widely prescribed pharmaceuticals: toxicity of the drugs and the products of their photochemical degradation to aquatic organisms

Klementová,

Poncarová

2024

JAB

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Cholesterol-lowering drugs, antidiabetics, antiarrhythmics, antidepressants, and antibiotics belong to the most prescribed drugs worldwide. Because of the manufacture, excretion, and improper disposal of leftover drugs, the drugs enter waste waters and, subsequently, surface waters. They have been detected in surface waters all over the world, from concentrations of ng/l to concentrations several orders of magnitude higher. Since pharmaceuticals are designed to be both biologically and chemically stable, photochemical degradation by sun radiation represents a way of transformation in the natural environment. This review provides a survey of how selected drugs of the above-mentioned classes affect aquatic organisms of different trophic level. The emphasis is on the harmful effects of phototransformation products, an area of scientific investigation that has only attracted attention in the past few years, revealing the surprising fact that products of photochemical degradation might be even more toxic to aquatic organisms than the parent drugs.

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Adsorption analysis of ciprofloxacin and delafloxacin onto the corn cob derived-biochar under different pyrolysis conditions

Gotore

Itayama

Dang

et al. 2022

Biomass Conv. Bioref.

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Comparative analysis of in vivo and in silico toxicity evaluation of the organoiodine compounds towards D. magna using multivariate chemometric approach: A study on the example of amiodarone phototransformation products

Cited by 4 publications

References 31 publications

First Discovery of Iodinated Polyfluoroalkyl Acids by Nontarget Mass-Spectrometric Analysis and Iodine-Specific Screening Algorithm

First Discovery of Iodinated Polyfluoroalkyl Acids by Nontarget Mass-Spectrometric Analysis and Iodine-Specific Screening Algorithm

Selected widely prescribed pharmaceuticals: toxicity of the drugs and the products of their photochemical degradation to aquatic organisms

Adsorption analysis of ciprofloxacin and delafloxacin onto the corn cob derived-biochar under different pyrolysis conditions

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