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相关概念视频

Weak Acid Solutions04:02

Weak Acid Solutions

Few compounds act as strong acids. A far greater number of compounds behave as weak acids and only partially react with water, leaving a large majority of dissolved molecules in their original form and generating a relatively small amount of hydronium ions. Weak acids are commonly encountered in nature, being the substances partly responsible for the tangy taste of citrus fruits, the stinging sensation of insect bites, and the unpleasant smells associated with body odor. A familiar example of a...
Polyprotic Acids03:38

Polyprotic Acids

Acids are classified by the number of protons per molecule that they can give up in a reaction. Acids such as HCl, HNO3, and HCN that contain one ionizable hydrogen atom in each molecule are called monoprotic acids. Their reactions with water are:
¹H NMR of Labile Protons: Deuterium (²H) Substitution00:48

¹H NMR of Labile Protons: Deuterium (²H) Substitution

This lesson illustrates the role of deuterium substitution in simplifying the NMR spectrum of compounds comprising labile protons. One method employed is the use of deuterium. Amongst the three isotopes of hydrogen, deuterium (2H) has a nucleus composed of one proton and one neutron. When the D2O solvent is added to a pure dry ethanol solution, its labile proton is substituted with deuterium.
¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)01:20

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...
Extraction: Effects of pH00:53

Extraction: Effects of pH

Consider a neutral form of an amine, B, with a partition coefficient, K, in a liquid mixture containing organic and aqueous phases. The pH of the aqueous phase affects the charge on acidic and basic solutes, and the charged form is usually more soluble in the aqueous phase. Suppose the conjugate acid form of the amine is soluble only in the aqueous phase while the base form is soluble in both phases. Then the distribution coefficient, D, can be given as the ratio of amine concentration in the...
Leveling Effect01:29

Leveling Effect

In acid-base chemistry, the leveling effect refers to the limitation imposed by the solvent on the strength of acids and bases in solution. When a base stronger than the solvent's conjugate base is used, it deprotonates the solvent until the base is entirely consumed, making it ineffective against weaker acids. Conversely, an acid stronger than the solvent's conjugate acid protonates the solvent until the acid is depleted, rendering it ineffective against weaker bases. Essentially, the solvent...

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相关实验视频

Updated: Jul 11, 2026

Analyzing Protein Dynamics Using Hydrogen Exchange Mass Spectrometry
11:37

Analyzing Protein Dynamics Using Hydrogen Exchange Mass Spectrometry

Published on: November 29, 2013

在水溶液中的histidine残留物的deprotonation使用受限制的ab initio分子动力学.

Ivaylo Ivanov1, Michael L Klein

  • 1Center for Molecular Modeling and Department of Chemistry, University of Pennsylvania, 231 South 34th Street, Philadelphia 19104-6323, USA. iivanov@cmm.chem.upenn.edu

Journal of the American Chemical Society
|November 7, 2002
PubMed
概括
此摘要是机器生成的。

这项研究使用了ab initio分子动力学来研究水中的histidine残留物解离. 质子化歇斯蒂丁形式比无质子化形式更稳定,与实验pKa值保持一致.

更多相关视频

Sedimentation Equilibrium of a Small Oligomer-forming Membrane Protein: Effect of Histidine Protonation on Pentameric Stability
09:49

Sedimentation Equilibrium of a Small Oligomer-forming Membrane Protein: Effect of Histidine Protonation on Pentameric Stability

Published on: April 2, 2015

Defining Hsp33's Redox-regulated Chaperone Activity and Mapping Conformational Changes on Hsp33 Using Hydrogen-deuterium Exchange Mass Spectrometry
10:24

Defining Hsp33's Redox-regulated Chaperone Activity and Mapping Conformational Changes on Hsp33 Using Hydrogen-deuterium Exchange Mass Spectrometry

Published on: June 7, 2018

相关实验视频

Last Updated: Jul 11, 2026

Analyzing Protein Dynamics Using Hydrogen Exchange Mass Spectrometry
11:37

Analyzing Protein Dynamics Using Hydrogen Exchange Mass Spectrometry

Published on: November 29, 2013

Sedimentation Equilibrium of a Small Oligomer-forming Membrane Protein: Effect of Histidine Protonation on Pentameric Stability
09:49

Sedimentation Equilibrium of a Small Oligomer-forming Membrane Protein: Effect of Histidine Protonation on Pentameric Stability

Published on: April 2, 2015

Defining Hsp33's Redox-regulated Chaperone Activity and Mapping Conformational Changes on Hsp33 Using Hydrogen-deuterium Exchange Mass Spectrometry
10:24

Defining Hsp33's Redox-regulated Chaperone Activity and Mapping Conformational Changes on Hsp33 Using Hydrogen-deuterium Exchange Mass Spectrometry

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科学领域:

  • 生物化学 生物化学
  • 计算化学计算化学
  • 物理化学 物理化学

背景情况:

  • 伊斯蒂丁残留物在蛋白质功能中至关重要,因为它们具有电离性意米达环.
  • 了解histidine的酸性质对于预测蛋白质的行为和反应机制至关重要.

研究的目的:

  • 通过先进的计算方法,研究水中胺残留物的解离.
  • 分析解离过程中的结构,电子和动态变化.
  • 为了确定质子化和脱质子化西斯蒂丁形式的相对稳定性.

主要方法:

  • 受到约束的卡尔-帕里内洛 ab initio分子动力学模拟.
  • 应用线性和协调性约束.
  • 分析平均力,电子定位函数和反应坐标的潜力.

主要成果:

  • 质子化歇斯蒂丁形式比无质子化形式稳定得多 (9.0-9.5 kcal/mol).
  • 这些发现与实验pKa估计相一致.
  • 确定了脱质子化的一个潜在的过渡状态,这表明非协同的质子转移.

结论:

  • 这项研究提供了详细的分子洞察力,了解水溶液中的西斯提丁解离.
  • 计算结果支持实验观察histidine的酸行为.
  • 确定过渡状态和非协同的质子转移机制为涉及histidine的生物化学反应提供了新的视角.