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An intermolecular forces model for lipid microbubble shells.
Langmuir : the ACS Journal of Surfaces and Colloids 2018 December 14
Lipid-coated microbubbles are currently used clinically as ultrasound contrast agents for echocardiography and radiology, and are being developed for many new diagnostic and therapeutic applications. Accordingly, there is a growing need to engineer specific formulations by employing rational design to guide lipid selection and processing. This approach requires a quantitative relationship between lipid chemistry and interfacial properties of the microbubble shell. Just such a model is proposed here based on lateral coulomb and van der Waals interactions between lipid head and tail groups, using previous coarse graining and force fields developed for molecular dynamics simulations. The model predicts with sufficient accuracy the monolayer permeability, the elasticity as a function of either lipid composition or temperature, and the equilibrium spreading surface tension of the lipid onto an air/water interface. In the future, the intermolecular forces model could be employed to elucidate more complex phenomena and to engineer novel microbubble formulations.
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