A Molecular Theory of Polypeptide Adsorption at Inorganic Surfaces.
J Phys Chem B
; 127(3): 794-805, 2023 Jan 26.
Article
em En
| MEDLINE
| ID: mdl-36521053
ABSTRACT
A faithful description of polypeptide adsorption at ionizable surfaces remains a theoretical challenge from a molecular perspective due to the strong coupling of local thermodynamic nonideality and ionizations of both the adsorbate and substrate that are sensitive to the solution condition such as pH, ion valence, and salt concentration. Building upon a recently developed coarse-grained model for natural amino acids in bulk electrolyte solutions, here we report a molecular theory applicable to polypeptide adsorption on ionizable inorganic surfaces over a broad range of inhomogeneous conditions. Our thermodynamic model is able to account for diverse solution effects as well as the amino-acid sequence on polypeptide adsorption and surface association such as hydrogen bonding or bidentate coordination. The theoretical predictions have been validated by extensive comparison with experimental data for the adsorption isotherms of three representative polypeptides at a titanium surface.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Tipo de estudo:
Prognostic_studies
Idioma:
En
Revista:
J Phys Chem B
Assunto da revista:
QUIMICA
Ano de publicação:
2023
Tipo de documento:
Article
País de afiliação:
Estados Unidos