関連する実験動画
Updated: Jul 15, 2026

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Controlling the Size, Shape and Stability of Supramolecular Polymers in Water
Published on: August 2, 2012
水中のアラニン二ペプチドの構成上の好みを決定する溶媒の役割
Alexander N Drozdov1, Alan Grossfield, Rohit V Pappu
1Department of Biomedical Engineering, Washington University in St. Louis, Campus Box 1097, St. Louis, Missouri 63130, USA.
Journal of the American Chemical Society
|February 26, 2004
まとめ
短いアラニンペプチドは,水中のポリプロリンIIヘリックス (P(II)) 構造を好みます. しかし,この研究は,ペプチド内のステリック衝突を最小限に抑えることによって,水の相互作用が,P(IIではなく,コンパクトな形状を好むことを明らかにしています.
科学分野:
- バイオフィジックス 生物物理学
- コンピューティング・ケミストリー
- 分子ダイナミクス 分子ダイナミクス
背景:
- 顕微鏡の研究では,短いアラニンペプチドが,水中のポリプロリンIIヘリックス (P(II)) 構成を好むことが示唆されています.
- この好みは,好ましいペプチド-溶媒相互作用,特に水橋から生じると考えられていた.
研究 の 目的:
- アラニン二ペプチドコンフォーマーの水分化構造と熱力学を明示的に分析する.
- P(II) ヘリックス偏好の決定におけるペプチド-溶媒相互作用の役割を調査する.
主な方法:
- カノニカル・アンサンブルにおけるモンテカルロ・シミュレーション.
- アラニン二ペプチドの全原子OPLSパラメータと水のTIP5Pモデルを使用した.
- 液体水中のN-アセチラアラニン-N'-メチラミドの16の低エネルギーコンフォマーを分析した.
主要な成果:
- 水素結合の水分子の数は溶解熱力学に影響を与えなかった.
- 溶解熱力学は,完全な水分化に必要な作業によって決定されます.
- 有利なペプチド-溶媒相互作用は,P (II) のような幾何学ではなく,コンパクトな形状を好む.
結論:
- P (II) に対する実験的に観察された好みは,ペプチドと水の直接的な相互作用によるものではない.
- 水分子は,ペプチド内ステリック衝突を最小限に抑えることによって導かれる固有の形状的好みを明らかにするのに役立ちます.
関連する概念動画
Solvents
A solvent is a substance, most often a liquid, that can dissolve other substances. Here, the substance being dissolved is called a solute. When a solvent and a solute combine, they form a solution - a homogenous mixture of both the solvent and the solute. Water is a universal biological solvent. Its polar structure allows it to dissolve many other polar compounds. The ability of water to dissolve is governed by a balance between water molecules binding to each other and binding to the solute.
A...
A...
Molecular Shape and Polarity
Dipole Moment of a Molecule
Solution Formation
There is no one solvent that can dissolve every type of solute. Some substances that readily dissolve in a certain solvent might be insoluble in a different solvent. A simple way to predict which substances dissolve in which solvent is the phrase "like dissolves like". This means that polar substances, such as salt and sugar, dissolve in a polar substance like water. In contrast, non-polar substances are more soluble in non-polar solvents such as carbon tetrachloride.
This selective solubility...
This selective solubility...
Aqueous Solutions and Heats of Hydration
Water and other polar molecules are attracted to ions. The electrostatic attraction between an ion and a molecule with a dipole is called an ion-dipole attraction. These attractions play an important role in the dissolution of ionic compounds in water.
When ionic compounds dissolve in water, the ions in the solid separate and disperse uniformly throughout the solution because water molecules surround and solvate the ions, reducing the strong electrostatic forces between them. This process...
When ionic compounds dissolve in water, the ions in the solid separate and disperse uniformly throughout the solution because water molecules surround and solvate the ions, reducing the strong electrostatic forces between them. This process...
Factors Affecting Solubility
Compared with pure water, the solubility of an ionic compound is less in aqueous solutions containing a common ion (one also produced by dissolution of the ionic compound). This is an example of a phenomenon known as the common ion effect, which is a consequence of the law of mass action that may be explained using Le Chȃtelier’s principle. Consider the dissolution of silver iodide:
Solubility
Solution, Solubility, and Solubility Equilibrium
A solution is a homogeneous mixture composed of a solvent, the major component, and a solute, the minor component. The physical state of a solution—solid, liquid, or gas—is typically the same as that of the solvent. Solute concentrations are often described with qualitative terms such as dilute (of relatively low concentration) and concentrated (of relatively high concentration).
In a solution, the solute particles (molecules, atoms, and/or ions)...
A solution is a homogeneous mixture composed of a solvent, the major component, and a solute, the minor component. The physical state of a solution—solid, liquid, or gas—is typically the same as that of the solvent. Solute concentrations are often described with qualitative terms such as dilute (of relatively low concentration) and concentrated (of relatively high concentration).
In a solution, the solute particles (molecules, atoms, and/or ions)...

