Surface properties of some carotenoids spread in monolayers at the air/water interface. Experimental and computational approach |
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Authors: | Ossi Horovitz Gheorghe Tomoaia Csaba Racz Aurora Mocanu Liviu-Dorel Bobos Maria Tomoaia-Cotisel |
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Institution: | (1) Department of Physical Chemistry, “Babes-Bolyai” University of Cluj-Napoca, 400028 Cluj-Napoca, Romania;(2) Department of Orthopaedic Surgery, “Iuliu Hatieganu” University of Medicine, 400015 Cluj-Napoca, Romania |
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Abstract: | The surface pressure versus molecular area isotherms of some carotenoids: β,β-carotene-4-one (echinenone, ECH), β,β-carotene-4,4′-dione
(canthaxanthin, CAN) and 4,4′-diapo-ω,ω-carotene-4,4′-dial (APO), spread at the air/water interface, are reported. A van der
Waals type state equation is used to describe the high molecular area portions of the compression isotherms and interaction
parameters within monolayers are derived. Quantum chemical semi-empirical SCF MO calculations (AM1 and PM3) are performed
for the optimized geometries of molecules and dipole moments are calculated. Similar theoretical magnitudes are obtained by
both methods. Surface properties, like collapse pressure, surface compressional modulus and interaction parameters are discussed
in terms of dipole-dipole interactions, and correlations with the calculated quantities for the carotenoid molecules are analyzed.
The orientation of the different carotenoid molecules in the monolayer is discussed. |
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Keywords: | Carotenoids surface properties molecular structure dipole moment semi-empirical MO calculations |
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