University of Limerick
Browse

Influence of solvent on crystal nucleation of risperidone

Download (1.92 MB)
journal contribution
posted on 2018-08-22, 13:35 authored by Donal Mealey, Jacek Zeglinski, Dikshitkumar Khamar, Åke C. Rasmuson
Over 2100 induction time experiments were carried out for the medium-sized, antipsychotic drug molecule, risperidone in seven different organic solvents. To reach the same induction time the required driving force increases in the order: cumene, toluene, acetone, ethyl acetate, methanol, propanol, and butanol, which reasonably well correlates to the interfacial energies as determined within classical nucleation theory. FTIR spectroscopy has been used to investigate any shifts in the spectra and to estimate the interaction of solute and solvent at the corresponding site. The solution condition has also been investigated by Density Functional Theory (DFT) calculations over (1 : 1) solvent–solute binding interactions at 8 different sites on the risperidone molecule. The DFT computational results agree with the spectroscopic data suggesting that these methods do capture the binding strength of solvent molecules to the risperidone molecule. The difficulty of nucleation correlates reasonably to the DFT computations and the spectroscopic measurements. The results of the different measurements suggest that the stronger the solvent binds to the risperidone molecule in solution, the slower the nucleation becomes.

Funding

PHILIP KAARET / UNIVERSITY OF IOWA FOSSIL JETS FROM BLACK HOLE TRANSIENTS RECENT XMM-NEWTON OBSERVATIONS HAVE LED TO THE DISCOVERY OF A LARGE SCALE X-RAY JET FROM THE LONG-TERM X-RAY TRANSIENT AND BLACK HOLE CANDIDATE 4U 175533. WE OBTAINED A FOLLOW-UP OB

National Aeronautics and Space Administration

Find out more...

History

Publication

Faraday Discussions;179, pp. 309-328

Publisher

Royal Society of Chemistry

Note

peer-reviewed

Other Funding information

SFI, HEA, Swedish Research Council

Language

English

Usage metrics

    University of Limerick

    Categories

    No categories selected

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC