It is well known that, during rapid temperature variations, lipid membranes are sensitive structures within cells. It is, therefore, not surprising that membranes are one of the most critical cellular targets for temperature adaptation. Many organisms adapt to the different temperature changing the degree of unsaturation of the lipids in the membrane. In this study, we describe a pseudo-semantic analysis approach applied to molecular dynamics. This approach is based on the encoding of data into strings and on the calculation of similarities. The described approach is universally applicable and, in this work, the fluidity of a POPC (palmitoyl-oleoyl-glycerophosphocholine) membrane under different conditions was monitored. In three simulations we varied the temperature above and below the phase transition temperature (Tm). In a fourth simulation we added an external molecule as fluidifier. The results of the clustering, obtained by similarity values, were consistent with the experimental data.

Pseudo-semantic Approach to Study Model Membranes

Nardiello A. M.
;
Piotto S.;Di Biasi L.;Sessa L.
2020

Abstract

It is well known that, during rapid temperature variations, lipid membranes are sensitive structures within cells. It is, therefore, not surprising that membranes are one of the most critical cellular targets for temperature adaptation. Many organisms adapt to the different temperature changing the degree of unsaturation of the lipids in the membrane. In this study, we describe a pseudo-semantic analysis approach applied to molecular dynamics. This approach is based on the encoding of data into strings and on the calculation of similarities. The described approach is universally applicable and, in this work, the fluidity of a POPC (palmitoyl-oleoyl-glycerophosphocholine) membrane under different conditions was monitored. In three simulations we varied the temperature above and below the phase transition temperature (Tm). In a fourth simulation we added an external molecule as fluidifier. The results of the clustering, obtained by similarity values, were consistent with the experimental data.
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11386/4769946
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