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相关概念视频

The Citric Acid Cycle02:36

The Citric Acid Cycle

The citric acid cycle, also known as the Krebs cycle or TCA cycle, consists of several energy-generating reactions that yield one ATP molecule, three NADH molecules, one FADH2 molecule, and two CO2 molecules.
Cis-regulatory Sequences02:02

Cis-regulatory Sequences

Cis-regulatory sequences are short fragments of non-coding DNA that are present on the same chromosomes as the genes that they regulate. These fragments serve as binding sites for transcriptional regulators, proteins that are responsible for controlling gene transcription and differential gene expression across cell types in eukaryotes. Cis-regulatory sequences can be close to the gene of interest or thousands of bases away in the DNA sequence; however, those sequences that are further away are...
Disubstituted Cyclohexanes: cis-trans Isomerism02:37

Disubstituted Cyclohexanes: cis-trans Isomerism

Depending upon the different spatial orientation of the substituents, the disubstituted cycloalkanes exhibit two types of stereoisomers. The cis isomers have the substituents on the same side of the ring, whereas the trans isomers have the substituents on the opposite sides. These stereoisomers exhibit different physical properties and cannot be interconverted without breaking the carbon-carbon bonds.
In cyclohexane, the substituents can occupy different positions generating distinct isomers.
Stereoisomerism of Cyclic Compounds02:33

Stereoisomerism of Cyclic Compounds

In this lesson, we delve into the role of ring conformation and its stability, which determines the spatial arrangement and, consequently, the molecular symmetry and stereoisomerism of cyclic compounds. 1,2-Dimethylcyclohexane is used as a case study to evaluate the possible number of stereoisomers. Here, given the multiple (n = 2) chiral centers, there are 2n = 4 possible configurations that lack a plane of symmetry, as the ring skeleton exists in a non-planar chair conformation. In addition,...
Cis-regulatory Sequences02:02

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A thermodynamic system with zero heat exchange and work is an isolated system. For these systems, the internal energy remains constant.
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HOX Loci Focused CRISPR/sgRNA Library Screening Identifying Critical CTCF Boundaries
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所有cis循环类.

Romuald Poteau1, Georges Trinquier

  • 1Laboratoire de Physique Quantique (CNRS, UMR5626), IRSAMC, Université Paul-Sabatier, 31062 Toulouse Cedex, France. romuald.poteau@irsamc.ups-tlse.fr

Journal of the American Chemical Society
|October 6, 2005
PubMed
概括

研究人员探索了全cis循环,发现它们是稳定的结构. 这些循环,具有cis-amide键,显示有利的结合能,与转结构相比较.

科学领域:

  • 计算化学计算化学
  • 类化学 类化学
  • 结构生物学 结构生物学

背景情况:

  • 胺键 (-NH-CO-) 由于热力学稳定性,通常有利于转变形状.
  • 胺键的 cis 构造在能量上是不利的,对线性链构成硬质性挑战.
  • 循环提供了一个独特的结构框架,可以稳定cis-amide键.

研究的目的:

  • 研究完全由cis-amide键组成的循环的结构和能量特性.
  • 使用量子计算确定全cis循环结构的可行性和稳定性.
  • 为了比较循环系统中所有cis与所有trans联的能量优势.

主要方法:

  • 在B3LYP层面使用密度函数理论 (DFT) 计算.
  • 系统地探索潜在能量表面,寻找所有cis的环聚氨酸 (cG) (n) (c)),环聚氨酸和环聚氨酸.
  • 分析环张力,形状灵活性和斑块结合能量的分析,使用异体反应和平均斑块结合能 (MPJE).

主要成果:

  • 所有cis循环 (cG{n}{c},n=2-10,15) 被证实是潜在能量表面的真最小值.
  • 围绕八个单元的最佳环形大小导致平面结构 (cG7(c) 到cG9(c)).
  • 较小的环呈现出杯状的扭曲,而较大的环则采用边形状.

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  • 平均斑块结合能 (MPJE) 表明,所有cis斑块协会在能量上与六个或更多单位的循环的所有trans协会相当.
  • 结论:

    • 所有cis循环是结构可行的和热力学稳定的.
    • 循环结构中cis-amide键结合的能量优势挑战了以前的假设.
    • 这些全cis循环代表了一种具有潜在自组装特性的新型性材料类.