New approaches to the simulation of heat-capacity curves and phase diagrams of pseudobinary phospholipid mixtures

Biophysical Journal
C JohannA Blume

Abstract

A simulation program using least-squares minimization was developed to calculate and fit heat capacity (cp) curves to experimental thermograms of dilute aqueous dispersions of phospholipid mixtures determined by high-sensitivity differential scanning calorimetry. We analyzed cp curves and phase diagrams of the pseudobinary aqueous lipid systems 1,2-dimyristoyl-sn-glycero-3-phosphatidylglycerol/ 1,2-dipalmitoyl-sn-glycero-3phosphatidylcholine (DMPG/DPPC) and 1,2-dimyristoyl-sn-glycero-3-phosphatidic acid/1, 2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DMPA/DPPC) at pH 7. The simulation of the cp curves is based on regular solution theory using two nonideality parameters rho g and rho l for symmetric nonideal mixing in the gel and the liquid-crystalline phases. The broadening of the cp curves owing to limited cooperativity is incorporated into the simulation by convolution of the cp curves calculated for infinite cooperativity with a broadening function derived from a simple two-state transition model with the cooperative unit size n = delta HVH/delta Hcal as an adjustable parameter. The nonideality parameters and the cooperative unit size turn out to be functions of composition. In a second step, phase diagrams were calculate...Continue Reading

Citations

May 21, 2011·European Biophysics Journal : EBJ·Patrick GaridelAlfred Blume
Jul 18, 2001·Chemistry and Physics of Lipids·K LohnerP Garidel
Jun 6, 2002·Chemistry and Physics of Lipids·Rumiana Koynova, Martin Caffrey
Mar 25, 2011·Journal of Pharmacy & Bioallied Sciences·Antonio RaudinoMartina Pannuzzo
Jul 15, 2015·The Journal of Physical Chemistry. B·Urszula KwolekMariusz Kepczynski
Feb 11, 2014·Advances in Colloid and Interface Science·Alfred BlumeAnnette Meister
Sep 9, 2008·Biochimica Et Biophysica Acta·Paulo F F Almeida

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