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Authors: IZABELLA IRSAI, ALEXANDRU LUPAN, CORNELIA MAJDIK, RADU SILAGHI-DUMITRESCU.
Putative elements of secondary, tertiary and quaternary structure were examined for polylactic acid chains, attempting a parallel with secondary structure elements known from protein biology and also attempting an estimate, based on accurate atomic-level calculations, of interaction energies between polylactic acid chains. Spectroscopic parameters were predicted for all types of structure examined, in an attempt to aid our on-going efforts in synthesis and characterization of polylactic acid variants.
Keywords: polylactic acid, secondary structure, NMR, EPR, DFT, semiempirical
