Modelling the experimental electron density: Only the synergy of various approaches can tackle the new challenges

Macchi, P. ; Gillet, J. -M ; Taulelle, F. ; Campo, J. (Universidad de Zaragoza) ; Claiser, N. ; Lecomte, C.

Resumen: Electroactive polymer–peptide conjugates have been synthesized by combining poly(3,4-ethylenedioxythiophene), a polythiophene derivative with outstanding properties, and an Arg-Gly-Asp (RGD)-based peptide in which Gly has been replaced by an exotic amino acid bearing a 3,4-ethylenedioxythiophene ring in the side chain. The incorporation of the peptide at the ends of preformed PEDOT chains has been corroborated by both FTIR and X-ray photoelectron spectroscopy. Although the morphology and topology are not influenced by the incorporation of the peptide at the ends of PEDOT chains, this process largely affects other surface properties. Thus, the wettability of the conjugates is considerably higher than that of PEDOT, independently of the synthetic strategy, whereas the surface roughness only increases when the conjugate is obtained using a competing strategy (i.e. growth of the polymer chains against termination by end capping). The electrochemical activity of the conjugates has been found to be higher than that of PEDOT, evidencing the success of the polymer–peptide links designed by chemical similarity. Density functional theory calculations have been used not only to ascertain the conformational preferences of the peptide but also to interpret the electronic transitions detected by UV-vis spectroscopy. Electroactive surfaces prepared using the conjugates displayed the higher bioactivities in terms of cell adhesion, with the relative viabilities being dependent on the roughness, wettability and electrochemical activity of the conjugate. In addition to the influence of the peptide fragment in the initial cell attachment and subsequent cell spreading and survival, the results indicate that PEDOT promotes the exchange of ions at the conjugate–cell interface.

Idioma: Inglés

DOI: 10.1107/S2052252515007538

Año: 2015

Publicado en: IUCrJ 2, 4 (2015), 441-451
ISSN: 2052-2525

Factor impacto JCR: 3.105 (2015)

Categ. JCR: CRYSTALLOGRAPHY rank: 5 / 26 = 0.192 (2015) - Q1 - T1
Categ. JCR: MATERIALS SCIENCE, MULTIDISCIPLINARY rank: 57 / 271 = 0.21 (2015) - Q1 - T1
Categ. JCR: CHEMISTRY, MULTIDISCIPLINARY rank: 53 / 163 = 0.325 (2015) - Q2 - T1

Factor impacto SCIMAGO: 2.179 - Biochemistry (Q1) - Materials Science (miscellaneous) (Q1) - Condensed Matter Physics (Q1) - Chemistry (miscellaneous) (Q1)

Financiación: info:eu-repo/grantAgreement/ES/DGA/E40
Financiación: info:eu-repo/grantAgreement/ES/MINECO/MAT2012-34498

Tipo y forma: Artículo (Versión definitiva)

Área (Departamento): Área Física Materia Condensada (Dpto. Física Materia Condensa.)