Predicting the Complex Phase Behavior of Self-Assembling
Drug Delivery Nanoparticles
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Abstract
Amphiphilic lyotropic
liquid crystalline self-assembled nanomaterials
have important applications in the delivery of therapeutic and imaging
agents. However, little is known about the effect of the incorporated
drug on the structure of nanoparticles. Predicting these properties
is widely considered intractable. We present computational models
for three drug delivery carriers, loaded with 10 drugs at six concentrations
and two temperatures. These models predicted phase behavior for 11
new drugs. Subsequent synchrotron small-angle X-ray scattering experiments
validated the predictions