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Structured Water Modulates the Ion Coordination at Biointerface.

Chen Wang1,2, Shanshan Li3, Manyu Zhu1

  • 1Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, Jilin 130022, P.R.China.

Langmuir : the ACS Journal of Surfaces and Colloids
|November 17, 2025
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Summary
This summary is machine-generated.

Dislocated surface heterogeneity significantly impacts metal ion coordination at biointerfaces. Structured water plays a key role, with increased water structuring hindering ion binding.

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Area of Science:

  • Biophysical Chemistry
  • Surface Science
  • Computational Modeling

Background:

  • Metal ion coordination at biointerfaces is crucial for biological processes.
  • Water structure significantly influences interfacial interactions.
  • Biointerface heterogeneity, including proteins and membranes, affects water structure and ion binding.

Purpose of the Study:

  • To investigate the effect of dislocated chemical and geometrical heterogeneity on metal ion coordination at biointerfaces.
  • To explore how atomic-scale dislocated groups influence interfacial properties and ion coordination.

Main Methods:

  • Development of a simplified ion coordination biointerface model.
  • Simulation and analysis of atomic-scale dislocated hydrophobic and hydrophilic mixing.
  • Evaluation of effects on surface charging, hydrogen bonding, and interfacial water structure.

Main Results:

  • Dislocated heterogeneity modulates surface charging, hydrogen bonding, and interfacial water structure.
  • These modulations, driven by mixed hydrophobic/hydrophilic groups, impact ion coordination.
  • Structured water significantly influences ion coordination, with enhanced structuring hindering binding.

Conclusions:

  • Atomic dislocation and structured water are critical factors in modulating biointerface-ion interactions.
  • Findings offer insights into ion coordination at complex biological surfaces.
  • Provides guidance for designing ion coordination-involved surfaces for biological and industrial applications.