In this manuscript, we present important findings on the transport of free protonated docosahexaenoic acid (DHAP) within a model a human brain lipid membrane and on the effect that DHAP has on the structural and dynamic properties of the membrane. We report the results of large-scale all-atom molecular dynamics simulations …
Over the past several decades, lipid membranes have been one of the primary targets of study with molecular scale simulations. Over this period of time, scientists have increasingly chosen to study more and more complex lipid membranes, while also wanting to measure increasingly complex structural and dynamical properties of the …
Phospholipids are a diverse group of biomolecules consisting of a hydrophilic headgroup and two hydrophobic acyl tails. The nature of the head and length and saturation of the acyl tails are important for defining the biophysical properties of lipid bilayers. It has recently been shown that the membranes of certain yeast …
In our latest manuscript, we elucidate the atomistic mechanisms that define the interactions between two commonly used environmentally sensitive dyes (Laurdan & di-4-ANEPPDHQ) and liquid-ordered (Lo) and liquid-disordered (Ld) lipid bilayers which they are used to investigate. Laurdan and di-4-ANEPPDHQ are solvatochromatic dyes that are perfect for probing lipid phases …
Biomimetic liquid crystalline systems are widely used in skin care cosmetics and topical pharmaceutical preparations. Multi-component lipid/surfactant formulations that contain natural phospholipids combined with long chain fatty acids and alcohols are widely employed in so-called ‘biomimetic’ skin care preparations. Such products – which include, for example, the PhysiogelTM and BiophilicTM …
In this manuscript, we present important findings of how lipid heterogeneity in model lipid membranes affect various structural and dynamic properties of the lipids within the membranes . We report the results of large-scale all-atom molecular dynamics simulations of commonly used simple model lipid membranes as well as two complex …
Sphingomyelin and cholesterol are prominent lipids in the plasma membrane of animal cells. In this manuscript, we have combined X-ray scattering experiments, performed by our collarborator Prof. Peter Quinn (KCL, Institute of Pharmaceutical Science), and all-atom molecular dynamics to investigate the bilayer structures observed within an equimolar mixture of palmitoylsphingomyelin …
On 31 January, Irene Marzuoli, who was co-supervised by Prof. Franca Fraternali in the Randall Centre for Cell & Molecular Biology, was examined by Prof. Syma Khalid (University of Southampton) and Prof. Fernando Bresme (Imperial College London) during her PhD viva. Irene’s viva was during the afternoon, and in the end the examiners …