Studies of the molecular self-association mechanisms

Molecular self-association mechanism studies conducted by researchers from the Nuclear Magnetic Resonance Group (LIOS) and Matteo Salvalaglio from the Thomas Young Centre (University College London) have been published in the journal “Crystal Growth & Design” (IF = 4.089, 2019).

In this paper, the authors combine solution NMR spectroscopy and molecular dynamics simulations to shed light on the structural and dynamical features of p-aminobenzoic acid (pABA) self-association in solution, and on their role in pABA crystals nucleation.

Raitis Bobrovs*, Laura Drunka, Andrievs Auseklis Auzins, Kristaps Jaudzems, and Matteo Salvalaglio*. Polymorph-Selective Role of Hydrogen Bonding and π–π Stacking in p-Aminobenzoic Acid Solutions. Cryst. Growth Des. 2020. DOI: 10.1021/acs.cgd.0c01257


This research is funded by the Latvian Council of Science, for the project “From molecules to crystals: molecular self-assembly in crystal nucleation from solution”, Project No. lzp-2018/2-0234.