关于在高温下聚的扩展β-变形倾向
Wei Yuan Yang1, Edgar Larios, Martin Gruebele
1Department of Chemistry, and Center for Biophysics and Computational Biology, University of Illinois at Urbana-Champaign, Illinois 61801, USA.
Journal of the American Chemical Society
|December 25, 2003
概括
加热天然的多化物会诱导延长链结构,这种结构在β-sheet中很常见,独立于度. 这种先前存在的扩展结构与更快的蛋白质聚合动力学有关.
科学领域:
- 蛋白质的结构和动态.
- 生物物理学的生物物理.
- 计算生物学是一种计算生物学.
背景情况:
- 变质剂中的多通常在室温下采用随机的线圈结构.
- 高温可以诱导蛋白质的结构变化.
研究的目的:
- 为了研究多的温度诱导的结构变化.
- 探索延长链形成和蛋白质聚合之间的关系.
主要方法:
- 循环二重化谱法用于分析多结构.
- 分子动力学模拟 (298-1000 K) 用于模拟形状变化.
- 动力学研究,以将扩展结构与聚合率相关联.
主要成果:
- 加热天然的多,即使在变质剂中,也促进了特征的延长链结构β-sheets.
- 这种取决于温度的效应是独立于度的,排除了聚合作为原因.
- 分子动力学模拟显示,在更高的温度下,吸引力有利于扩展形状.
- 扩展结构含量和蛋白质聚合率之间存在直接相关性.
结论:
- 高温自然有利于由于硬质约束而形成多延长链.
- 预先存在的延伸结构可能充当核化部位,促进更快的蛋白质聚合.
- 了解这种现象对于蛋白质稳定性和疾病研究至关重要.
相关概念视频
Thermal Sigmatropic Reactions: Overview
Sigmatropic rearrangements are a class of pericyclic reactions in which a σ bond migrates from one part of a π system to another. These are intramolecular rearrangements where the total number of σ and π bonds remain unchanged.
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in 1,5-hexadiene, referred to as...
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in 1,5-hexadiene, referred to as...
Stability of Conjugated Dienes
Introduction
A comparison of the enthalpies of hydrogenation of dienes reveals that conjugated dienes release less heat on hydrogenation, rendering them more stable than their nonconjugated analogs.
A comparison of the enthalpies of hydrogenation of dienes reveals that conjugated dienes release less heat on hydrogenation, rendering them more stable than their nonconjugated analogs.
Atomic Nuclei: Nuclear Spin State Population Distribution
Near absolute zero temperatures, in the presence of a magnetic field, the majority of nuclei prefer the lower energy spin-up state to the higher energy spin-down state. As temperatures increase, the energy from thermal collisions distributes the spins more equally between the two states. The Boltzmann distribution equation gives the ratio of the number of spins predicted in the spin −½ (N−) and spin +½ (N+) states.
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR
The axial and equatorial protons in cyclohexane can be distinguished by performing a variable-temperature NMR experiment. In this process, except for one proton, the remaining eleven protons are replaced by deuterium. The deuterium substitution avoids the possible peak splitting caused by the spin-spin coupling between the adjacent protons. The remaining proton flips between the axial and equatorial positions.
Thermal Expansion
The expansion of alcohol in a thermometer is one of many commonly encountered examples of thermal expansion, which is the change in size or volume of a given system as its temperature changes. The most visible example is the expansion of hot air. When air is heated, it expands and becomes less dense than the surrounding air, which then exerts an upward force on the hot air to, for example, make steam and smoke rise, and hot air balloons float. The same behavior happens in all liquids and gases,...
Temperature Dependent Deformation
In a nonhomogeneous rod made up of steel and brass, restrained at both ends and subjected to a temperature change, several steps are involved in calculating the stress and compressive load. Due to the problem's static indeterminacy, one end support is disconnected, allowing the rod to experience the temperature change freely. Next, an unknown force is applied at the free end, triggering deformations in the rod's steel and brass portions. These deformations are then calculated and added together...


