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The influence of Na+ on neighbouring hydrogen bonds of aliphatic amino acid

Der Einfluß von Na+ auf die benachbarten Wasserstoffbindungen in aliphatischen Aminosäuren

  • Anorganische Und Physikalische Chemie
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Summary

The influence of Na+ on hydrogen bonds of the OH ⋯ O and NH ⋯ O type between an aliphatic amino acid (glycine zwitterion) and water is investigated byab initio calculations with minimal Gaussian basis sets. Distortion of the hydration shell caused by Na+, and interaction energies contributing to the over-all stabilization are discussed.

Zusammenfassung

Der Einfluß von Na+ auf die Wasserstoffbindungen vom OH ⋯ O- und NH ⋯ O-Typ in aliphatischen Aminosäuren (Glycin-Zwitterion) und Wasser wurde mittelsab initio Berechnungen mit einem minimalen Gausschen Basissatz untersucht. Die durch Na+-Ionen hervorgerufenen Verzerrungen der Hydratationsschale und die zur Gesamtstabilisierung beitragenden Wechselwir-kungsenergien werden diskutiert.

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Authors and Affiliations

  1. Department of Chemistry, Faculty of Science, Chulalongkorn University, 10500, Bangkok, Thailand

    Sirirat U. Kokpol & Supot V. Hannongbua

  2. Department of Chemistry, Faculty of Science, Kasetsart University, 10900, Bangkok, Thailand

    Jamras P. Limtrakul

Authors
  1. Sirirat U. Kokpol
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  2. Supot V. Hannongbua
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  3. Jamras P. Limtrakul
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Kokpol, S.U., Hannongbua, S.V. & Limtrakul, J.P. The influence of Na+ on neighbouring hydrogen bonds of aliphatic amino acid. Monatsh Chem 120, 491–499 (1989). https://doi.org/10.1007/BF00810835

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  • DOI: https://doi.org/10.1007/BF00810835

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