MIPdatabase
Authors: Mönch B, Kraus W, Köppen R, Emmerling F
Article Title: The different conformations and crystal structures of dihydroergocristine.
Publication date: 2016
Journal: Journal of Molecular Structure
Volume: 1105
Page numbers: 389-395.
DOI: 10.1016/j.molstruc.2015.10.008
Alternative URL: http://www.sciencedirect.com/science/article/pii/S0022286015303094
Abstract: The identification of different forms of dihydroergocristine (DHEC) was carried out by crystallization from different organic solvents. DHEC was identified as potential template for molecularly imprinted polymers (MIPs) for the epimeric specific analysis of ergot alkaloids (EAs) in food. DHEC was crystallized from different solvents in order to mimic the typical MIP synthesis conditions. Four new solvatomorphs of DHEC were obtained. All solvatomorphs contain a water molecule in the crystal structure, whereas three compounds contain an additional solvent molecule. Based on the conformation of DHEC a comparison with typical EA molecules was possible. The analysis showed that DHEC is a suitable template for MIPs for EAs
Template and target information: dihydroergocristine, DHEC, ergot alkaloids
Author keywords: molecularly imprinted polymer, Ergot alkaloids, Solvatomorphs, Hirshfeld surface
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