Fluctuating nonlinear spring theory: Strength, deformability, and toughness of biological nanoparticles from theoretical reconstruction of force-deformation spectra.
Fluctuating nonlinear spring theory: Strength, deformability, and toughness of biological nanoparticles from theoretical reconstruction of force-deformation spectra.
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DOI：
10.1016/j.actbio.2020.12.043
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发表时间：
2021-03-01
影响因子：
9.7
通讯作者：
Barsegov V
中科院分区：
文献类型：
--
作者：
Maksudov F;Kononova O;Llauró A;Ortega-Esteban A;Douglas T;Condezo GN;Martín CS;Marx KA;Wuite GJL;Roos WH;de Pablo PJ;Barsegov V
我们发展了波动非线性弹簧（FNS）模型来描述生物颗粒（如病毒衣壳）的机械变形动力学。该理论解释的力-变形谱的“赫兹刚度”（非线性政权的颗粒的小幅度变形），弹性常数（大幅度弹性变形），和力的范围内，颗粒的断裂发生。FNS理论使人们能够量化颗粒的弹性（赫兹和弯曲变形的杨氏模量），以及它们的强度极限（临界力，断裂韧性）和变形能力（临界变形）以及这些属性的概率分布，并计算颗粒的赫兹，弹性和塑性变形的自由能变化，以及最终的断裂。我们应用FNS理论来描述噬菌体P22、人腺病毒和单纯疱疹病毒的蛋白质衣壳，其特征在于断裂前的变形不超过其大小的10-19%。这些纳米壳是软的（~1-10-GPa弹性模量），具有低的~50-480-kPa韧性-材料行为的一种状态尚未被很好地理解，并且强度随着它们的尺寸而增加，而韧性随着它们的尺寸而降低。颗粒的断裂是随机的，临界力、临界变形和断裂韧性的平均值与其标准差相当。FNS理论预测P22衣壳成熟的自由能为0.7-MJ/mol，它可以扩展到描述圆柱形微管和椭圆形细胞器的单轴变形。
We developed the Fluctuating Nonlinear Spring (FNS) model to describe the dynamics of mechanical deformation of biological particles, such as virus capsids. The theory interprets the force-deformation spectra in terms of the “Hertzian stiffness” (non-linear regime of a particle’s small-amplitude deformations), elastic constant (large-amplitude elastic deformations), and force range in which the particle’s fracture occurs. The FNS theory enables one to quantify the particles’ elasticity (Young’s moduli for Hertzian and bending deformations), and the limits of their strength (critical forces, fracture toughness) and deformability (critical deformations) as well as the probability distributions of these properties, and to calculate the free energy changes for the particle’s Hertzian, elastic, and plastic deformations, and eventual fracture. We applied the FNS theory to describe the protein capsids of bacteriophage P22, Human Adenovirus, and Herpes Simplex virus characterized by deformations before fracture that did not exceed 10–19% of their size. These nanoshells are soft (~1-10-GPa elastic modulus), with low ~50-480-kPa toughness – a regime of material behavior that is not well understood, and with the strength increasing while toughness decreases with their size. The particles’ fracture is stochastic, with the average values of critical forces, critical deformations, and fracture toughness comparable with their standard deviations. The FNS theory predicts 0.7-MJ/mol free energy for P22 capsid maturation, and it could be extended to describe uniaxial deformation of cylindrical microtubules and ellipsoidal cellular organelles.
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影响因子：
3.4
作者：
Kononova, Olga;Snijder, Joost;Barsegov, Valeri
通讯作者：
Barsegov, Valeri
影响因子：
2.7
作者：
Kononova, Olga;Maksudov, Farkhad;Barsegov, Valeri
通讯作者：
Barsegov, Valeri
影响因子：
15
作者：
Kononova, Olga;Kholodov, Yaroslav;Theisen, Kelly E.;Marx, Kenneth A.;Dima, Ruxandra I.;Ataullakhanov, Fazly I.;Grishchuk, Ekaterina L.;Barsegov, Valeri
通讯作者：
Barsegov, Valeri
DOI：
10.1073/pnas.0708017105
发表时间：
2008-03-18
影响因子：
11.1
作者：
Carrasco, Carolina;Castellanos, Milagros;Mateu, Mauricio G.
通讯作者：
Mateu, Mauricio G.
DOI：
10.1073/pnas.1207437109
发表时间：
2012-07-24
影响因子：
11.1
作者：
Castellanos, Milagros;Perez, Rebeca;Mateu, Mauricio G.
通讯作者：
Mateu, Mauricio G.