Polar and photoelectronic properties of dileucine and diisoleucine nanotubes

abstract

The article presents computer modeling and quantum-chemical calculations of polar and photoelectronic properties of helix-like nanotubes based on dileucine (LL) and diisoleucine (II) dipeptides of L and D chiralities using HyperChem package. It has been shown that physical properties of LL-based peptide nanotubes (PNTs) are close to the properties of diphenylalanine (FF) nanotubes, whereas II-based PNTs demonstrate lower polarization and the absorption edge in the short-wavelength UV-C region. For all kinds of nanotubes, the chirality index calculated using scalar triple product of dipole moments has confirmed the chirality change rule established earlier for complex biomolecules.

keywords

DIPHENYLALANINE PEPTIDE NANOTUBES; PHYSICAL-PROPERTIES

subject category

Materials Science; Physics

authors

Bystrov, VS; Paramonova, EV; Ledeneva, OR; Belova, EV; Zelenovskiy, PS; Kopyl, SA; Fridkin, VM

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