【摘 要】
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Mainly through electrostatic forces,salt ions can interact specifically with macromolecules such as peptides and proteins and have a strong impact on their
【机 构】
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Beijing National Laboratory for Molecular Sciences
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Mainly through electrostatic forces,salt ions can interact specifically with macromolecules such as peptides and proteins and have a strong impact on their three-dimensional structures and functions.In this work,the interaction of divalent and trivalent metal cation and a model-peptide N-ethylpropionamide in aqueous solution is examined by infrared spectroscopy,molecular dynamics simulations,and quantum chemical computations.Significant red-and blue-shifts in the amide-I vibrational(dominated by carbonyl stretching)frequency are observed at increased ionic strength.A dynamical model containing switchable water molecules in between the amide group and cation/water/anion complexes is proposed to interpret the observed amide-I peak splitting.Influences of charge density and ionic radius of metal cations are discussed.
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