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相关概念视频

Amino acids03:42

Amino acids

Amino acids are the monomers that comprise proteins. Each amino acid has the same fundamental structure, which consists of a central carbon atom, or the alpha (α) carbon, bonded to an amino group (NH2), a carboxyl group (COOH), and to a hydrogen atom. Every amino acid also has another atom or group of atoms bonded to the central atom known as the R group. There are 20 common amino acids present in proteins, each with a different R group. Variation in the amino acid sequence is responsible for...
Conformations of Ethane and Propane02:18

Conformations of Ethane and Propane

In an organic molecule, free rotation about the carbon-carbon single bond results in energetically different conformers of the molecule. Due to this rotation, called the internal rotation, ethane has two major conformations — staggered and eclipsed.
Staggered conformation is a low energy and more stable conformation with the C-H bonds on the front carbon placed at 60°dihedral angles relative to the C-H bonds on the back carbon, leading to a reduced torsional strain. In staggered ethane, the...
Structures of Carboxylic Acid Derivatives01:28

Structures of Carboxylic Acid Derivatives

Structure of Carboxylic Acid Derivatives
Carboxylic acid derivatives contain an acyl group attached to a heteroatom such as chlorine, oxygen, or nitrogen. The carbonyl carbon and oxygen are both sp2-hybridized with an unhybridized p orbital.
The three sp2 orbitals of the carbonyl carbon form three σ bonds, one each with the carbonyl oxygen, the α carbon, and the heteroatom, whereas the other two sp2 orbitals of the carbonyl oxygen are occupied by the lone pairs. Further, the unhybridized p...
Aromatic Hydrocarbon Anions: Structural Overview01:18

Aromatic Hydrocarbon Anions: Structural Overview

Neutral hydrocarbons like cyclopentadiene with an odd number of carbon atoms and one intervening CH2 group in the ring are not aromatic. Cyclopentadiene with 4 π electrons does not satisfy the 4n + 2 π electron rule. Additionally, the intervening CH2 group is sp3 hybridized and lacks a vacant p orbital, thereby interrupting the overlap of p orbitals in a continuous manner and preventing the delocalization of π electrons throughout the ring.
Due to the absence of continuous overlap of p...
Five-Membered Heterocyclic Aromatic Compounds: Overview01:13

Five-Membered Heterocyclic Aromatic Compounds: Overview

Heterocyclic aromatic compounds are cyclic compounds that are aromatic and have one or more heteroatoms—atoms other than carbon, in the ring. Depending upon the number of atoms present in the ring, they can be either five or six-membered. Examples of five-membered heterocyclic aromatic compounds include pyrrole, furan, thiophene, and imidazole. Pyrrole consists of one nitrogen atom having one lone pair of electrons. Furan and thiophene have one oxygen and one sulfur heteroatom, respectively.
Hydrogen Bonds01:04

Hydrogen Bonds

A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...

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相关实验视频

Updated: Jul 17, 2026

Transmembrane Domain Oligomerization Propensity determined by ToxR Assay
06:45

Transmembrane Domain Oligomerization Propensity determined by ToxR Assay

Published on: May 26, 2011

五种17-氨基酸的α-螺旋形成的H-结合合作性和能量.

Robert Wieczorek1, J J Dannenberg

  • 1Department of Chemistry, City University of New York, Hunter College and the Graduate School, 695 Park Avenue, New York, NY 10021, USA.

Journal of the American Chemical Society
|July 3, 2003
PubMed
概括

对于短,α螺旋比β链更稳定,由基侧链和C-H...O键驱动. 键合作性对于螺旋体稳定性至关重要,这表明型建模中对潜力的局限性.

科学领域:

  • 计算化学是一种计算化学.
  • 生物物理学的生物物理.
  • 分子建模分子建模

背景情况:

  • 的结构和稳定性是蛋白质功能的基础.
  • 了解对二次结构形成的能量贡献是关键.

研究的目的:

  • 研究短中α-螺旋对比β-链形状的能量和结构偏好.
  • 阐明侧链相互作用和键在稳定二次结构中的作用.

主要方法:

  • 在α-螺旋和β-链形式的五个17-氨基酸的几何优化.
  • 混合密度函数理论 (DFT) /AM1计算程序的应用,包括螺旋结构的B3LYP/D95**.
  • 使用AM1逐步优化侧链,然后进行DFT重新优化.

主要成果:

  • 发现阿尔法螺旋显著优于β链,能量差异在29.5~37.4kcal/mol之间.
  • 氨基酸上的基侧链促进螺旋形成,即使没有溶剂.
  • C-H...O 键有助于含有特定氨基酸 (氨酸,氨酸,异氨酸) 的螺旋体的稳定性.
  • 螺旋体形成涉及每种键大约6.6kcal/mol的骨干应变.
  • 键合作性被确定为对beta链的α螺旋稳定性至关重要.

更多相关视频

Sequencing of Plant Wall Heteroxylans Using Enzymic, Chemical (Methylation) and Physical (Mass Spectrometry, Nuclear Magnetic Resonance) Techniques
11:49

Sequencing of Plant Wall Heteroxylans Using Enzymic, Chemical (Methylation) and Physical (Mass Spectrometry, Nuclear Magnetic Resonance) Techniques

Published on: March 24, 2016

Constructing Cyclic Peptides Using an On-Tether Sulfonium Center
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Constructing Cyclic Peptides Using an On-Tether Sulfonium Center

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相关实验视频

Last Updated: Jul 17, 2026

Transmembrane Domain Oligomerization Propensity determined by ToxR Assay
06:45

Transmembrane Domain Oligomerization Propensity determined by ToxR Assay

Published on: May 26, 2011

Sequencing of Plant Wall Heteroxylans Using Enzymic, Chemical (Methylation) and Physical (Mass Spectrometry, Nuclear Magnetic Resonance) Techniques
11:49

Sequencing of Plant Wall Heteroxylans Using Enzymic, Chemical (Methylation) and Physical (Mass Spectrometry, Nuclear Magnetic Resonance) Techniques

Published on: March 24, 2016

Constructing Cyclic Peptides Using an On-Tether Sulfonium Center
07:11

Constructing Cyclic Peptides Using an On-Tether Sulfonium Center

Published on: September 28, 2022

结论:

  • 阿尔法螺旋结构在能量方面比短中的β链更受青.
  • 侧链相互作用和键在稳定α螺旋中起着至关重要的作用.
  • 键合作性的重要性表明,对潜力对于准确的和蛋白质建模是不够的.