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新型肽结构对形成的单层稳定性的影响。

Effect of Newly Synthesized Structures of Peptides on the Stability of the Monolayers Formed.

机构信息

Department of Physical Chemistry and Biophysics, Wroclaw Medical University, Borowska 211A, 50-556 Wrocław, Poland.

Department of Physical Chemistry, Faculty of Pharmacy, Medical University of Gdańsk, Al. Gen. J. Hallera 107, 80-416 Gdańsk, Poland.

出版信息

Int J Mol Sci. 2023 Feb 21;24(5):4318. doi: 10.3390/ijms24054318.

Abstract

The aim of the study was to evaluate the effect of the peptide structure (WKWK)-KWKWK-NH, P4 (C12)-KKKK-NH, P5 (KWK)-KWWW-NH, P6 (KK)-KWWW-NH on their physicochemical properties. The thermogravimetric method (TG/DTG) was used, which made it possible to observe the course of chemical reactions and phase transformations occurring during the heating of solid samples. Based on the DSC curves, the enthalpy of the processes occurring in the peptides was determined. The influence of the chemical structure of this group of compounds on their film-forming properties was determined using the Langmuir-Wilhelmy trough method and was followed by molecular dynamics simulation. Evaluated peptides showed high thermal stability and the first significant mass loss occurred only at about 230 °C and 350 °C. The analysis of the compressibility coefficient of individual peptides indicates that all formed peptide monolayers were in the expanded liquid phase. Their maximum compressibility factor was less than 50.0 mN/m. Its highest value of 42.7 mN/m was achieved in a monolayer made of P4. The results obtained in molecular dynamic simulation indicate that non-polar side chains played an important role in the properties of the P4 monolayer, and the same applies to P5, except that a spherical effect was observed here. A slightly different behavior was observed for the P6 and P2 peptide systems, where the type of amino acids present had an influence. The obtained results indicate that the structure of the peptide affected its physicochemical and layer-forming properties.

摘要

本研究旨在评估肽结构(WKWK)-KWKWK-NH、P4(C12)-KKKK-NH、P5(KWK)-KWWW-NH、P6(KK)-KWWW-NH 对其理化性质的影响。采用热重法(TG/DTG),可以观察到固体样品加热过程中发生的化学反应和相转变过程。根据 DSC 曲线,确定了肽中发生的过程的焓。通过 Langmuir-Wilhelmy 槽法和分子动力学模拟确定了该类化合物化学结构对其成膜性能的影响。评估的肽表现出高热稳定性,仅在约 230°C 和 350°C 时发生第一次显著质量损失。对各肽的压缩系数的分析表明,所有形成的肽单层均处于扩展液相。它们的最大压缩系数小于 50.0 mN/m。在由 P4 制成的单层中达到了最高值 42.7 mN/m。分子动力学模拟的结果表明,非极性侧链在 P4 单层的性质中起重要作用,对于 P5 也是如此,只是这里观察到了球形效应。对于 P6 和 P2 肽体系,观察到了稍微不同的行为,其中存在的氨基酸类型有影响。所得结果表明,肽的结构影响其理化和层形成性质。

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