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Related Concept Videos

Adhesion01:14

Adhesion

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Adhesion occurs when one type of molecule is attracted to a different molecule. Water exhibits adhesive properties in the presence of polar surfaces, such as glass or cellulose in plants. For instance, when water is poured into a glass, the positively charged hydrogen molecules of water are more attracted to the negatively charged oxygen molecules in the silica than to the oxygen in neighboring water molecules.
Capillary action is a result of water’s adhesive tendencies. When a narrow...
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Adherens Junctions01:24

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Strong contact points between adjacent cells anchor them to each other, forming tissues. Such anchoring junctions are of two types –  adherens junctions and desmosomes. Adherens junctions are abundant in tissues such as  epithelium and endothelium, forming a continuous zone of adhesion called the adhesion belt. In other tissues, such as  heart muscle, they appear as clusters, linking the cells to produce coordinated heart muscle contraction.
Adherens Junctions are Dynamic
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The cadherins were one of the first cell adhesion molecules discovered; the term “cadherins”   is based on their calcium-dependent adhering properties. The first cadherins discovered on the epithelial, neuronal, and placental cells were named E-cadherin, P-cadherin, and N-cadherin, respectively. These classical cadherins share sequence and structural similarities. Other cadherins, including those involved in cell signaling, are grouped into non-classical cadherins. This...
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Adhesion Frequency Assay for In Situ Kinetics Analysis of Cross-Junctional Molecular Interactions at the Cell-Cell Interface
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Catechol-cation adhesion on silica surfaces: molecular dynamics simulations.

Yingtu Li1, Mingrui Liao, Jian Zhou

  • 1School of Chemistry and Chemical Engineering, Guangdong Provincial Key Lab for Green Chemical Product Technology, South China University of Technology, Guangzhou, 510640, P. R. China. jianzhou@scut.edu.cn.

Physical Chemistry Chemical Physics : PCCP
|October 26, 2017
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Summary

Molecular dynamics simulations reveal how siderophore analogues bind to silica surfaces, driven by electrostatic interactions. Adhesion is influenced by surface charge, amino acid type, and ionic strength, offering insights for underwater adhesive development.

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Area of Science:

  • Surface Science
  • Biomaterials Science
  • Computational Chemistry

Background:

  • Understanding catechol-cation interactions with inorganic surfaces is crucial for controlling interfacial adhesion.
  • Siderophore analogues are promising candidates for bio-inspired adhesives, particularly for underwater applications.

Purpose of the Study:

  • To investigate the adhesion mechanisms of siderophore analogues on silica surfaces using molecular dynamics simulations.
  • To elucidate the effects of surface ionization, amino acid type, and ionic strength on adhesion.
  • To provide guidance for designing advanced underwater adhesives.

Main Methods:

  • Molecular dynamics (MD) simulations were performed to study the adhesion of Tren-Lys-Cam, Tren-Arg-Cam, and Tren-His-Cam on silica surfaces.
  • Simulations explored varying degrees of silica ionization and ionic strengths.
  • Umbrella sampling and steered MD were used to calculate adhesion and rupture forces.

Main Results:

  • Adhesion is primarily governed by electrostatic interactions between catechol-cations and ionized silica surfaces.
  • The adhesion strength ranking of siderophore analogues varies with surface ionization degree.
  • Histidine-containing analogues show significant adhesion on negatively charged surfaces; Tren-Lys-Cam exhibits stronger adhesion than Tren-Arg-Cam at high ionization.
  • Increased ionic strength reduces adhesion free energy.
  • A linear correlation was found between potential of mean force and rupture force.

Conclusions:

  • The amino acid terminus significantly impacts siderophore analogue adhesion, with histidine being particularly influential on charged surfaces.
  • Surface charge, amino acid structure, and solution ionic strength are key factors modulating adhesion.
  • Findings offer a mechanistic understanding for developing novel underwater adhesives based on siderophore analogues.