3 documents found, page 1 of 1
Fluorescent Probes cis- and trans-Parinaric Acids in Fluid and Gel Lipid Bilaye...
Oliveira, Alexandre C.; Filipe, Hugo A. L.; Loura, Luís M. S.Fluorescence probes are indispensable tools in biochemical and biophysical membrane studies. Most of them possess extrinsic fluorophores, which often constitute a source of uncertainty and potential perturbation to the host system. In this regard, the few available intrinsically fluorescent membrane probes acquire increased importance. Among them, cis- and trans-parinaric acids (c-PnA and t-PnA, respectively) s...
Interactions between Rhodamine Dyes and Model Membrane Systems — Insights from ...
Magalhães, Nisa; Simões, Guilherme M.; Cristiana, Ramos; Samelo, Jaime; Oliveira, Alexandre C.; Filipe, Hugo A. L.; Prates Ramalho, João P.Background: rhodamines are dyes widely used as fluorescent tags in cell imaging, probing of mitochondrial membrane potential, and as P-glycoprotein model substrates. In all these applications, detailed understanding of the interaction between rhodamines and biomembranes is fundamental. Methods: we combined atomistic molecular dynamics (MD) simulations and fluorescence spectroscopy to characterize the interactio...
Modeling Gd 3+ Complexes for Molecular Dynamics Simulations: Toward a Rational ...
Oliveira, Alexandre C.; Filipe, Hugo; Prates Ramalho, João P.; Salvador, Armindo; Geraldes, Carlos F G C; Moreno, Maria João; Loura, Luís M SThe correct parametrization of lanthanide complexes is of the utmost importance for their characterization using computational tools such as molecular dynamics simulations. This allows the optimization of their properties for a wide range of applications, including medical imaging. Here we present a systematic study to establish the best strategies for the correct parametrization of lanthanide complexes using [...