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Fluorescent Lipid Nanoparticles as Biomembrane Models for Exploring Emerging Contaminant Bioavailability Supported by Density Functional Theory Calculations

Oliver, Miquel ; Bauzá, Antonio ; Frontera, Antonio ; Miró, Manuel

Environmental science & technology, 05 July 2016, Vol.50(13), pp.7135-43 [Peer Reviewed Journal]

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  • Title:
    Fluorescent Lipid Nanoparticles as Biomembrane Models for Exploring Emerging Contaminant Bioavailability Supported by Density Functional Theory Calculations
  • Author: Oliver, Miquel ; Bauzá, Antonio ; Frontera, Antonio ; Miró, Manuel
  • Description: Experimental sensing schemes and thermodynamic in-silico studies are combined holistically in this manuscript so as to give new insights into the bioavailability of environmental contaminants via permeation across lipid nanoparticles (liposomes) as a mimicry of biological membranes. Using Prodan and Laurdan as fluorescent membrane probes, phosphatidylcholine-based unilamellar liposomes are harnessed to investigate membranotropic effects of alkyl esters of p-hydroxybenzoic acid and triclosan in vitro on the basis of steady-state fluorescence anisotropy, light scattering, and generalized polarization measurements. The feasibility of the analytical responses to ascertain differences in temperature-dependent contaminant bioavailability is investigated in detail. High level density functional theory (DFT) calculations (RI-BP86-D3/def2-SVP) have been resorted to investigate noncovalent 1:1 complexes of the fluorescent probes and emerging contaminants with dipalmitoylphosphatidylcholine, as a...
  • Is Part Of: Environmental science & technology, 05 July 2016, Vol.50(13), pp.7135-43
  • Identifier: E-ISSN: 1520-5851 ; PMID: 27243463 Version:1 ; DOI: 10.1021/acs.est.6b00772
  • Subjects: Biological Availability ; Lipid Bilayers
  • Language: English

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