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捕获键的理论与示例。

Theory and Examples of Catch Bonds.

作者信息

Quapp Wolfgang, Bofill Josep Maria

机构信息

Mathematisches Institut, Universität Leipzig, PF 100920, Leipzig D-04009, Germany.

Departament de Química Inorgànica i Orgànica, Secció de Química Orgànica, Universitat de Barcelona, Martí i Franquès 1, Barcelona 08028, Spain.

出版信息

J Phys Chem B. 2024 May 2;128(17):4097-4110. doi: 10.1021/acs.jpcb.4c00468. Epub 2024 Apr 18.

DOI:10.1021/acs.jpcb.4c00468
PMID:38634732
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11075088/
Abstract

We discuss slip bonds, catch bonds, and the tug-of-war mechanism using mathematical arguments. The aim is to explain the theoretical tool of molecular potential energy surfaces (PESs). For this, we propose simple 2-dimensional surface models to demonstrate how a molecule under an external force behaves. Examples are selectins. Catch bonds, in particular, are explained in more detail, and they are contrasted to slip bonds. We can support special two-dimensional molecular PESs for E- and L-selectin which allow the catch bond property. We demonstrate that Newton trajectories (NT) are powerful tools to describe these phenomena. NTs form the theoretical background of mechanochemistry.

摘要

我们运用数学论证来讨论滑动键、捕获键和拔河机制。目的是解释分子势能面（PESs）这一理论工具。为此，我们提出简单的二维表面模型来演示分子在外力作用下的行为。选择素就是例子。特别是对捕获键进行了更详细的解释，并将其与滑动键进行了对比。我们可以支持E-选择素和L-选择素的特殊二维分子PESs，它们具有捕获键特性。我们证明牛顿轨迹（NT）是描述这些现象的有力工具。NT构成了机械化学的理论背景。

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本文引用的文献

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2
Molecular basis and cellular functions of vinculin-actin directional catch bonding.衔接蛋白-肌动蛋白定向捕获键的分子基础和细胞功能。
Nat Commun. 2023 Dec 14;14(1):8300. doi: 10.1038/s41467-023-43779-x.
3
Locating saddle points using gradient extremals on manifolds adaptively revealed as point clouds.
利用自适应显示为点云的流形上的梯度极值来定位鞍点。
Chaos. 2023 Dec 1;33(12). doi: 10.1063/5.0178947.
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Automated Exploration of Reaction Networks and Mechanisms Based on Metadynamics Nanoreactor Simulations.基于元动力学纳米反应器模拟的反应网络与机理自动探索
J Chem Theory Comput. 2023 Dec 12;19(23):8718-8731. doi: 10.1021/acs.jctc.3c00752. Epub 2023 Nov 29.
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Molecular mechanisms of catch bonds and their implications for platelet hemostasis.捕获键的分子机制及其对血小板止血的影响。
Biophys Rev. 2023 Sep 26;15(5):1233-1256. doi: 10.1007/s12551-023-01144-8. eCollection 2023 Oct.
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Catch bond models may explain how force amplifies TCR signaling and antigen discrimination.牵拉键模型可以解释力如何增强 TCR 信号转导和抗原识别。
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Advancing mechanochemical synthesis by combining milling with different energy sources.通过将机械研磨与不同能源相结合来推进机械化学合成。
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