Adsorption of Modified Arg, Lys, Asp, and Gln to Dry and Hydrated ZnO Surface: A Density Functional Theory Study

• Published in: The journal of physical chemistry. B Vol. 119; no. 35; pp. 11791 - 11797
• Main Authors: Buonocore, Francesco, Arcangeli, Caterina, Gala, Fabrizio, Zollo, Giuseppe, Celino, Massimo
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 03.09.2015
• Subjects: Adhesion; Adsorption; Amino acids; Arginine - chemistry; Aspartic Acid - chemistry; chemical elements; Density functional theory; Drying; energy; Glutamine - chemistry; Lysine - chemistry; Mathematical analysis; Models, Chemical; Molecular Dynamics Simulation; Oxides; screening; Surface chemistry; Water - chemistry; zinc oxide; Zinc Oxide - chemistry
• ISSN: 1520-6106; 1520-5207; 1520-5207
• DOI: 10.1021/acs.jpcb.5b05584

The interface of biological molecules with inorganic surfaces has been the subject of several recent studies. Experimentally some amino acids are evidenced to play a critical role in the adhesion and selectivity on oxide surfaces; however, detailed information on how the water molecules on the hydra...