posted on 2018-08-22, 13:35authored byDonal 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