V-Shaped Molecular Configuration of Wax Esters of Jojoba Oil in a Langmuir Film Model

Langmuir : the ACS Journal of Surfaces and Colloids
Benjamín CarusoMaría A Perillo

Abstract

The aim of the present work was to understand the interfacial properties of a complex mixture of wax esters (WEs) obtained from Jojoba oil (JO). Previously, on the basis of molecular area measurements, a hairpin structure was proposed as the hypothetical configuration of WEs, allowing their organization as compressible monolayers at the air-water interface. In the present work, we contributed with further experimental evidence by combining surface pressure (π), surface potential (Δ V), and PM-IRRAS measurements of JO monolayers and molecular dynamic simulations (MD) on a modified JO model. WEs were self-assembled in Langmuir films. Compression isotherms exhibited πlift-off at 100 Å2/molecule mean molecular area ( Alift-off) and a collapse point at πc ≈ 2.2 mN/m and Ac ≈ 77 Å2/molecule. The Δ V profile reflected two dipolar reorganizations, with one of them at A > Alift-off due to the release of loosely bound water molecules and another one at Ac < A < Alift-off possibly due to reorientations of a more tightly bound water population. This was consistent with the maximal SP value that was calculated according to a model that considered two populations of oriented water and was very close to the experimental value. The orientation...Continue Reading

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