细胞色素 c 在不同自组装单层上的吸附:表面化学和电荷密度的作用

IF 1.6 4区 医学 Q4 BIOPHYSICS Biointerphases Pub Date : 2024-09-01 DOI:10.1116/6.0003986
Shengjiang Yang, Chunwang Peng, Jie Liu, Hai Yu, Zhiyong Xu, Yun Xie, Jian Zhou
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引用次数: 0

摘要

本研究采用平行调温蒙特卡洛和分子动力学模拟相结合的方法,研究了细胞色素c(Cyt-c)在五种不同的自组装单层(SAM)(即CH3-SAM、OH-SAM、NH2-SAM、COOH-SAM和OSO3--SAM)上的吸附行为。结果表明,Cyt-c 通过疏水斑块(尤其是 Ile81)与 CH3-SAM 结合,并发生轻微的重新定向,而对 OH-SAM 的吸附相对较弱。即使在离子强度相对较高的条件下,Cyt-c 也不能与表面电荷密度(SCD,质子化率为 7%)较低的 NH2-SAM 稳定结合,而质子化率为 25% 的较高 SCD 会促进 Cyt-c 在 NH2-SAM 上的吸附。无论表面化学性质和 SCD 如何,Cyt-c 在负电荷表面上的首选吸附方向都非常相似。随着 SCD 的增加,更多的反离子被吸引到带电表面,形成不同的反离子层。除 OSO3--SAM 表面外,Cyt-c 吸附在这些 SAM 上时,其二级结构保持良好。吸附在高负电荷表面上的 Cyt-c 的氧化还原特性失活是由于血红素重新定向的限制和中心铁与表面的距离较远,以及吸附在 OSO3--SAM 表面上的 Cyt-c 的构象变化相对较大。这项工作可为设计基于 Cyt-c 的生物电子器件和可控酶固定化提供有价值的指导。
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Adsorption of cytochrome c on different self-assembled monolayers: The role of surface chemistry and charge density.

In this work, the adsorption behavior of cytochrome c (Cyt-c) on five different self-assembled monolayers (SAMs) (i.e., CH3-SAM, OH-SAM, NH2-SAM, COOH-SAM, and OSO3--SAM) was studied by combined parallel tempering Monte Carlo and molecular dynamics simulations. The results show that Cyt-c binds to the CH3-SAM through a hydrophobic patch (especially Ile81) and undergoes a slight reorientation, while the adsorption on the OH-SAM is relatively weak. Cyt-c cannot stably bind to the lower surface charge density (SCD, 7% protonation) NH2-SAM even under a relatively high ionic strength condition, while a higher SCD of 25% protonation promotes Cyt-c adsorption on the NH2-SAM. The preferred adsorption orientations of Cyt-c on the negatively-charged surfaces are very similar, regardless of the surface chemistry and the SCD. As the SCD increases, more counterions are attracted to the charged surfaces, forming distinct counterion layers. The secondary structure of Cyt-c is well kept when adsorbed on these SAMs except the OSO3--SAM surface. The deactivation of redox properties for Cyt-c adsorbed on the highly negatively-charged surface is due to the confinement of heme reorientation and the farther position of the central iron to the surfaces, as well as the relatively larger conformation change of Cyt-c adsorbed on the OSO3--SAM surface. This work may provide insightful guidance for the design of Cyt-c-based bioelectronic devices and controlled enzyme immobilization.

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来源期刊
Biointerphases
Biointerphases 生物-材料科学:生物材料
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期刊介绍: Biointerphases emphasizes quantitative characterization of biomaterials and biological interfaces. As an interdisciplinary journal, a strong foundation of chemistry, physics, biology, engineering, theory, and/or modelling is incorporated into originated articles, reviews, and opinionated essays. In addition to regular submissions, the journal regularly features In Focus sections, targeted on specific topics and edited by experts in the field. Biointerphases is an international journal with excellence in scientific peer-review. Biointerphases is indexed in PubMed and the Science Citation Index (Clarivate Analytics). Accepted papers appear online immediately after proof processing and are uploaded to key citation sources daily. The journal is based on a mixed subscription and open-access model: Typically, authors can publish without any page charges but if the authors wish to publish open access, they can do so for a modest fee. Topics include: bio-surface modification nano-bio interface protein-surface interactions cell-surface interactions in vivo and in vitro systems biofilms / biofouling biosensors / biodiagnostics bio on a chip coatings interface spectroscopy biotribology / biorheology molecular recognition ambient diagnostic methods interface modelling adhesion phenomena.
期刊最新文献
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