New Paper: “Interplay of lipid and surfactant: impact on nanoparticle structure”

In our recent manuscript we elucidate vital information into how the interactions between a surfactant and a lipid effect the internal structure and morphology of the nanoparticles that they form.  In doing so, we implement machine learning techniques alongside small angle neutron scattering experiments and molecular dynamics simulations to provide critical insight into the conformations and distributions of the lipid and surfactant within the nanoparticle.  In this manuscript we apply this unique combination of methods to provide previously unknown levels of detail into the structure of a specific liquid lipid nanoparticle (LLN) formed from the lipid, triolein, and the surfactant, Brij O10.  Liquid lipid nanoparticles, such as the one investigated here, are oil-in-water nanoemulsions of great interest as a stable drug delivery vehicle (DDV).We show that by applying unsupervised artificial neural networks, known as self-organising maps (SOMs), we are able to provide a much more detailed description of the molecular confirmations taken by the lipid molecules in the core of the LLN than was previously available using the traditional geometric methods.  Additionally, our application of the SOMs provided the first detailed description of the conformations taken by the surfactant molecules in the shell of the LLN.  By doing so, we are able to provide a detailed understanding of the different interactions between the surfactant and triolein in a LLN and tripalmitin in a solid lipid nanoparticle, which result in intriguing changes in the conformations taken by the lipid in the two different nanoparticles and therefore the overall morphology of the nanoparticle.  The insight that is provided by the application of the SOMs in order to understand the complex structure of these nanoparticles will allow for rational design to be applied to the development of novel complex nanoparticles for various applications. 

Full reference: Interplay of lipid and surfactant: impact on nanoparticle structure. Demi L. Pink, Oruthai Loruthai, Robert M. Ziolek, Ann E. Terry, David J. Barlow, M. Jayne Lawrence & Christian D. Lorenz. Journal of Colloid and Interface Science (2021) 597, 278-288.

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