Peptide/TiO2 Surface Interaction: A Theoretical and Experimental Study on the Structure of Adsorbed ALA-GLU and ALA-LYS (Articolo in rivista)

Type

• Prodotto della ricerca (Classe)
• Articolo in rivista (Classe)

Label

• Peptide/TiO2 Surface Interaction: A Theoretical and Experimental Study on the Structure of Adsorbed ALA-GLU and ALA-LYS (Articolo in rivista) (literal)

Anno

• 2008-01-01T00:00:00+01:00 (literal)

Alternative label

• Monti S., Carravetta V., BattocchioC., IucciG., Polzonetti G. (2008)
  Peptide/TiO2 Surface Interaction: A Theoretical and Experimental Study on the Structure of Adsorbed ALA-GLU and ALA-LYS
  in Langmuir
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Monti S., Carravetta V., BattocchioC., IucciG., Polzonetti G. (literal)

Pagina inizio

• 3205 (literal)

Pagina fine

• 3214 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 24 (literal)

Rivista

• Langmuir (Rivista)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• Institute of Chemical Physical Processes - CNR-IPCF , Via Moruzzi 1, 56124 Pisa, Italy Department of Physics and unita` INSTM and CISDiC, UniVersity “Roma Tre”, Via della Vasca Navale, 84 - 00146 Rome, Italy (literal)

Titolo

• Peptide/TiO2 Surface Interaction: A Theoretical and Experimental Study on the Structure of Adsorbed ALA-GLU and ALA-LYS (literal)

Abstract

• The adsorption on the TiO2 surface of two dipeptides AE(L-alanine-L-glutamic acid) and AK(L-alanine-L-lysine), that are “building blocks” of the more complex oligopeptide EAK16, has been investigated both theoretically and experimentally. Classical molecular dynamics simulations have been used to study the adsorption of H-Ala-Glu-NH2 and H-Ala-Lys-NH2 dipeptides onto a rutile TiO2(110) surface in water solution. Several peptide conformers have been considered simultaneously upon the surface. The most probable contact points between the molecules and the surface have been identified. Carbonyl oxygens as well as nitrogen atoms are possible Ti coordination points. Local effects are responsible for adsorption and desorption events. Self-interaction effects can induce molecular reorientations giving less strongly adsorbed species. The chemical structure and composition of thin films of the two dipeptides AE and AK on TiO2 were investigated by XPS (X-ray photoelectron spectroscopy) measurements at both O and N K-edges. Theoretical ab initio calculations (DeltaSCF) were also performed to simulate the spectra, allowing for a direct comparison between experiment and theory. (literal)

Prodotto di

• Dinamica dei processi atomici e molecolari (MD.P03.029.001) (Modulo)
• Modellizzazione di proprietà e reattività di molecole biologiche e biomimetiche (MD.P01.013.001) (Modulo)
• Istituto per i processi chimico-fisici (IPCF) (Istituto)

Autore CNR

• SUSANNA MONTI (Unità di personale interno)
• VINCENZO CARRAVETTA (Unità di personale interno)

Insieme di parole chiave

• Parole chiave di "Peptide/TiO2 Surface Interaction: A Theoretical and Experimental Study on the Structure of Adsorbed ALA-GLU and ALA-LYS" (Insieme di parole chiave)

Incoming links:

Prodotto

• Istituto per i processi chimico-fisici (IPCF) (Istituto)
• Dinamica dei processi atomici e molecolari (MD.P03.029.001) (Modulo)
• Modellizzazione di proprietà e reattività di molecole biologiche e biomimetiche (MD.P01.013.001) (Modulo)

Autore CNR di

• SUSANNA MONTI (Unità di personale interno)
• VINCENZO CARRAVETTA (Unità di personale interno)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Langmuir (Rivista)

Insieme di parole chiave di

• Parole chiave di "Peptide/TiO2 Surface Interaction: A Theoretical and Experimental Study on the Structure of Adsorbed ALA-GLU and ALA-LYS" (Insieme di parole chiave)