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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

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...
Cyclic Processes And Isolated Systems01:19

Cyclic Processes And Isolated Systems

A thermodynamic system with zero heat exchange and work is an isolated system. For these systems, the internal energy remains constant.
In the case of a non-isolated system, the change in the internal energy is zero only if the process is cyclic. A thermodynamic process is considered cyclic if the system undergoes a series of changes and returns to its initial state. 
Consider a cyclic process that returns to its initial state, undergoing a four-step process. The heat transfer along each path...

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HOX Loci Focused CRISPR/sgRNA Library Screening Identifying Critical CTCF Boundaries
10:10

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Todos los péptidos cíclicos all-cis.

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
Resumen

Los investigadores exploraron todos los péptidos cíclicos cis, encontrando que son estructuras estables. Estos péptidos cíclicos, con enlaces cis-amida, muestran energías de asociación favorables comparables a las estructuras transpeptídicas.

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Área de la Ciencia:

  • Química computacional es la química computacional.
  • Química del péptido Química del péptido
  • Biología Estructural Biología estructural.

Sus antecedentes:

  • Los enlaces amídicos (-NH-CO-) suelen favorecer las conformaciones trans debido a su estabilidad termodinámica.
  • La conformación cis de los enlaces amídicos es energéticamente desfavorable y presenta desafíos estéricos para las cadenas de péptidos lineales.
  • Los péptidos cíclicos ofrecen un marco estructural único donde los enlaces cis-amida pueden estabilizarse.

Objetivo del estudio:

  • Investigar las propiedades estructurales y energéticas de péptidos cíclicos compuestos enteramente de enlaces cis-amida.
  • Determinar la viabilidad y estabilidad de las estructuras de péptidos cíclicos all-cis utilizando cálculos cuánticos.
  • Para comparar la favorabilidad energética de las asociaciones de todos los cis versus todos los trans péptidos en sistemas cíclicos.

Principales métodos:

  • Se emplearon cálculos de la Teoría Funcional de Densidad (DFT) a nivel B3LYP.
  • Exploración sistemática de las superficies de energía potencial para todas las ciclopoliglicinas cis (cG (n) (c)), ciclopolialaninas y ciclopolifenilalaninas.
  • Análisis de la deformación del anillo, la flexibilidad conformacional y las energías de unión de placas utilizando reacciones isodémicas y energía media de unión de placas (MPJE).

Principales resultados:

  • Los péptidos cíclicos all-cis (cG{n}{c}, n=2-10,15) fueron confirmados como mínimos verdaderos en la superficie de energía potencial.
  • Los tamaños óptimos de anillos alrededor de ocho unidades péptidas dan como resultado estructuras planas (cG7(c) a cG9(c)).
  • Los anillos más pequeños exhiben distorsiones en forma de copa, mientras que los anillos más grandes adoptan conformaciones de borde de silla de montar.
  • La energía media de unión de placas (MPJE) indica que la asociación de placas all-cis es energéticamente comparable a la asociación all-trans para péptidos cíclicos con seis o más unidades.

Conclusiones:

  • Todos los péptidos cíclicos all-cis son estructuralmente viables y termodinámicamente estables.
  • La favorabilidad energética de la asociación de enlaces cis-amida en estructuras cíclicas desafía las suposiciones anteriores.
  • Estos péptidos cíclicos all-cis representan una nueva clase de materiales péptidos con propiedades potenciales de autoensamblaje.