ISMO

Institut des Sciences Moléculaires d'Orsay

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CNRS UPS

mercredi 15 janvier


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mercredi 24 juillet 2024

Accueil > Équipes scientifiques > Structure et dynamique des systèmes complexes isolés photoexcités (SYSIPHE) > CHIralité et spectroscoPIE (CHIPIE) > Influence of the residue’s chirality on the structure of polypetides

Influence of the residue’s chirality on the structure of polypetides

The structure of biopolymers like peptides or proteins depend on many factors, among them the environment, the nature of the building blocks they are made from, and their chirality. We have undertaken the study of di and tetrapetides built from phenylalanine to assess the influence of the chirality of the residue on the structure of the molecule .
JPEG - 25.3 kio
Studied polyphenylalanines

Ion mobility experiments are combined with Infra-Red Multiple Photon Dissociation (IRMPD) spectroscopy and quantum chemical calculations for assessing the role of chirality in the structure of protonated and sodiated di- or tetra-peptides. Sodiated systems show a strong chirality dependence of the competition between Na+…O and Na+…π interactions. Chirality effects are more subtle in protonated systems and manifest themselves by differences in the secondary interactions such hydrogen bonds between neutral groups or those involving the aromatic rings.

JPEG - 16 kio
Most stable structures for protonated tetraphenylalanines
PNG - 26.9 kio
Chirality-dependence of the most stable structures of the sodium core complexes of tetraphenylalanine

This collaborative work also involves Debora Scuderi from Laboratoire de Chimie Physique (LCP) and laser à électrons libres CLIO for IRMPD experiments, Fabien Chirot from Institut des Sciences Analytiques in Lyon and Philippe Dugourd from Institut Laser Matière in Lyon for ion mobility experiments, and Carine Clavaguera for quantum chemical calculations.



Publications

Chirality-dependent structuration of protonated or sodiated polyphenylalanines : IRMPD and ion mobility studies
V. Lepere, K. Le Barbu-Debus, C. Clavaguéra, D. Scuderi, G. Piani, A.-L. Simon, F. Chirot, L. MacAleese, P. Dugourd, and A. Zehnacker
Phys. Chem. Chem. Phys, 2016, vol 18, 1807–1817

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