纳米塑料-肽结合及其与脂膜相互作用的分子洞察力

IF 3.3 3区 生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY
Arianna Vismara, Alfonso Gautieri
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引用次数: 0

摘要

由于微塑料和纳米塑料在环境中无处不在,它们已成为一个重大问题。这些微粒可通过摄入、吸入或皮肤接触进入人体内部,然后与环境或生物分子(如蛋白质)相互作用,形成蛋白质电晕。然而,有关蛋白质电晕在人体内作用的信息仍然缺失。为了研究蛋白质电晕的作用,我们创建了纳米塑料和五胜肽的粗粒度模型,并在微观尺度上进行了模拟。此外,还复制了脂质双分子层粗粒度模型,以研究冠状纳米塑料在脂质双分子层附近的行为。疏水性氨基酸和芳香族氨基酸极易与所有纳米塑料形成稳定的结合。此外,聚苯乙烯和聚丙烯还能与极性氨基酸和带电氨基酸建立键合。当冠状纳米塑料靠近脂质双分子层时,可观察到不同的行为。聚乙烯形成单个聚合物链,而聚丙烯则倾向于分解成单链。聚苯乙烯既可以分离成单链,也可以保持聚集状态。蛋白质电晕在与纳米塑料和脂膜相互作用时发挥着重要作用。需要进行更多的研究来验证结果,并提高系统的复杂性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Molecular insights into nanoplastics-peptides binding and their interactions with the lipid membrane

Molecular insights into nanoplastics-peptides binding and their interactions with the lipid membrane

Micro- and nanoplastics have become a significant concern, due to their ubiquitous presence in the environment. These particles can be internalized by the human body through ingestion, inhalation, or dermal contact, and then they can interact with environmental or biological molecules, such as proteins, resulting in the formation of the protein corona. However, information on the role of protein corona in the human body is still missing. Coarse-grain models of the nanoplastics and pentapeptides were created and simulated at the microscale to study the role of protein corona. Additionally, a lipid bilayer coarse-grain model was reproduced to investigate the behavior of the coronated nanoplastics in proximity of a lipid bilayer. Hydrophobic and aromatic amino acids have a high tendency to create stable bonds with all nanoplastics. Moreover, polystyrene and polypropylene establish bonds with polar and charged amino acids. When the coronated nanoplastics are close to a lipid bilayer, different behaviors can be observed. Polyethylene creates a single polymeric chain, while polypropylene tends to break down into its single chains. Polystyrene can both separate into its individual chains and remain aggregated. The protein corona plays an important role when interacting with the nanoplastics and the lipid membrane. More studies are needed to validate the results and to enhance the complexity of the systems.

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来源期刊
Biophysical chemistry
Biophysical chemistry 生物-生化与分子生物学
CiteScore
6.10
自引率
10.50%
发文量
121
审稿时长
20 days
期刊介绍: Biophysical Chemistry publishes original work and reviews in the areas of chemistry and physics directly impacting biological phenomena. Quantitative analysis of the properties of biological macromolecules, biologically active molecules, macromolecular assemblies and cell components in terms of kinetics, thermodynamics, spatio-temporal organization, NMR and X-ray structural biology, as well as single-molecule detection represent a major focus of the journal. Theoretical and computational treatments of biomacromolecular systems, macromolecular interactions, regulatory control and systems biology are also of interest to the journal.
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