Ecotoxicological Evaluation of Bisphenol A and Alternatives: A Comprehensive In Silico Modelling Approach.

IF 6.8 Q1 TOXICOLOGY Journal of Xenobiotics Pub Date : 2023-11-23 DOI:10.3390/jox13040046
Liadys Mora Lagares, Marjan Vračko
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Abstract

Bisphenol A (BPA), a compound widely used in industrial applications, has raised concerns due to its environmental impact. As a key component in the manufacture of polycarbonate plastics and epoxy resins used in many consumer products, concerns about potential harm to human health and the environment are unavoidable. This study seeks to address these concerns by evaluating a range of potential BPA alternatives, focusing on their ecotoxicological properties. The research examines 76 bisphenols, including BPA derivatives, using a variety of in silico ecotoxicological models, although it should be noted that these models were not developed exclusively for this particular class of compounds. Consequently, interpretations should be made with caution. The results of this study highlight specific compounds of potential environmental concern and underscore the need to develop more specific models for BPA alternatives that will allow for more accurate and reliable assessment.

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双酚 A 及其替代品的生态毒理学评估:综合硅模拟方法。
双酚 A(BPA)是一种广泛应用于工业领域的化合物,因其对环境的影响而备受关注。作为许多消费品中使用的聚碳酸酯塑料和环氧树脂制造过程中的关键成分,对人类健康和环境造成潜在危害的担忧是不可避免的。本研究试图通过评估一系列潜在的双酚 A 替代品来解决这些问题,重点关注它们的生态毒理学特性。研究使用各种硅生态毒理学模型对包括双酚 A 衍生物在内的 76 种双酚进行了研究,但需要注意的是,这些模型并不是专门针对这一类特定化合物开发的。因此,在进行解释时应谨慎。这项研究的结果突出了可能引起环境关注的特定化合物,并强调有必要为双酚 A 替代品开发更具体的模型,以便进行更准确、更可靠的评估。
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来源期刊
CiteScore
5.30
自引率
1.70%
发文量
21
审稿时长
10 weeks
期刊介绍: The Journal of Xenobiotics publishes original studies concerning the beneficial (pharmacology) and detrimental effects (toxicology) of xenobiotics in all organisms. A xenobiotic (“stranger to life”) is defined as a chemical that is not usually found at significant concentrations or expected to reside for long periods in organisms. In addition to man-made chemicals, natural products could also be of interest if they have potent biological properties, special medicinal properties or that a given organism is at risk of exposure in the environment. Topics dealing with abiotic- and biotic-based transformations in various media (xenobiochemistry) and environmental toxicology are also of interest. Areas of interests include the identification of key physical and chemical properties of molecules that predict biological effects and persistence in the environment; the molecular mode of action of xenobiotics; biochemical and physiological interactions leading to change in organism health; pathophysiological interactions of natural and synthetic chemicals; development of biochemical indicators including new “-omics” approaches to identify biomarkers of exposure or effects for xenobiotics.
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