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Updated: Nov 8, 2025

Interfacial Molecular-level Structures of Polymers and Biomacromolecules Revealed via Sum Frequency Generation Vibrational Spectroscopy
Published on: August 13, 2019
VCD spectroscopy reveals that a water molecule determines the conformation of azithromycin in solution
Daniel P Demarque1, Michael Kemper1, Christian Merten1
1Ruhr-Universität Bochum, Organische Chemie 2, Stereochemistry and Chiroptical Spectroscopy, Universitätsstraße 150, 44801 Bochum, Germany. christian.merten@ruhr-uni-bochum.de.
Abstract:
We report the IR and VCD spectra of azithromycin, a macrolide antibiotic with a total of 18 stereogenic centers. The computational analysis of the spectra reveals that a single water molecule has to be considered in the conformational search. Its key role is the stabilization of an extended hydrogen bonding network and an otherwise unstable conformation that determines the VCD spectral signatures.
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