title: A theoretical study of biotin chemisorption on Si-SiC(001) surfaces.
abstract: Biotin is a promising candidate for functionalization of semiconducting surfaces, given its strong, unmatched affinity to specific proteins such as streptavidin and avidin. Using density functional theory, we have carried out a theoretical investigation of the structural and electronic properties of biotin chemisorbed on a biocompatible substrate; in particular we have considered the clean and hydroxylated Si-SiC(001) surfaces. Our calculations show that, upon chemisorption, biotin retains the electronic properties responsible for its strong affinity to proteins. While the electronic states of the hydroxylated surface undergo negligible changes in the presence of the molecule, those of the clean surface are considerably affected.
authors.affiliation: Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA.
authors.forename: Yosuke
authors.initials: Y
authors.lastname: Kanai
authors.forename: Giancarlo
authors.initials: G
authors.lastname: Cicero
authors.forename: Annabella
authors.initials: A
authors.lastname: Selloni
authors.forename: Roberto
authors.initials: R
authors.lastname: Car
authors.forename: Giulia
authors.initials: G
authors.lastname: Galli
mesh_terms: D000327:Adsorption; D001360:Avidin / Q000737:chemistry*; D001672:Biocompatible Materials / Q000737:chemistry*; D001710:Biotin / Q000737:chemistry*; D002627:Chemistry, Physical / Q000379:methods*; D004583:Electrons; D006860:Hydrogen Bonding; D008956:Models, Chemical; D008968:Molecular Conformation; D011506:Proteins / Q000737:chemistry*; D012666:Semiconductors; D012825:Silicon / Q000737:chemistry*; D055672:Static Electricity; D013499:Surface Properties
chemical_list: D001672:Biocompatible Materials; D011506:Proteins; D001360:Avidin; D001710:Biotin; D012825:Silicon