Search Results - "Prates Ramalho, J P"

Fluorescence of nitrobenzoxadiazole (NBD)-labeled lipids in model membranes is connected not to lipid mobility but to probe location by Amaro, Mariana, Filipe, Hugo A L, Prates Ramalho, J P, Hof, Martin, Loura, Luís M S

“…Nitrobenzoxadiazole (NBD)-labeled lipids are popular fluorescent membrane probes. However, the understanding of important aspects of the photophysics of NBD…”
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NBD-Labeled Cholesterol Analogues in Phospholipid Bilayers: Insights from Molecular Dynamics by Robalo, João R, Ramalho, J. P. Prates, Loura, Luís M. S

“…Nitrobenzoxadiazole (NBD)-labeled sterols are commonly used as fluorescent cholesterol analogues in membrane biophysics. However, some experimental reports…”
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Recent developments in molecular dynamics simulations of fluorescent membrane probes by Loura, Luís M S, Ramalho, J P Prates

“…Due to their sensitivity and versatility, the use of fluorescence techniques in membrane biophysics is widespread. Because membrane lipids are non-fluorescent,…”
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Behavior of Fluorescent Cholesterol Analogues Dehydroergosterol and Cholestatrienol in Lipid Bilayers: A Molecular Dynamics Study by Robalo, João R, do Canto, António M. T. Martins, Carvalho, A. J. Palace, Ramalho, J. P. Prates, Loura, Luís M. S

“…Molecular dynamics simulations of bilayer systems consisting of varying proportions of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC), cholesterol…”
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Structure and Phase Transformations of DPPC Lipid Bilayers in the Presence of Nanoparticles: Insights from Coarse-Grained Molecular Dynamics Simulations by Prates Ramalho, J. P, Gkeka, P, Sarkisov, L

“…In this article, we investigate fluid−gel transformations of a DPPC lipid bilayer in the presence of nanoparticles, using coarse-grained molecular dynamics…”
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Benzo[c]thiophene Chromophores Linked to Cationic Fe and Ru Derivatives for NLO Materials: Synthesis Characterization and Quadratic Hyperpolarizabilities by Silva, Tiago J. L., Mendes, Paulo J., Garcia, M. Helena, Robalo, M. Paula, Prates Ramalho, J. P., Palace Carvalho, A. J., Büchert, Marina, Wittenburg, Christian, Heck, Jürgen

“…η5‐Monocyclopentadienyliron(II)/ruthenium(II) complexes of the general formula [M(η5‐C5H5)(PP)(L1)][PF6] {M = Fe, PP = dppe; M = Ru, PP = dppe or 2PPh3; L1 =…”
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Mechanisms of removal of three widespread pharmaceuticals by two clay materials by Dordio, A.V., Miranda, S., Prates Ramalho, J.P., Carvalho, A.J. Palace

“…•LECA efficiently removes gemfibrozil, mefenamic acid and naproxen from water.•Vermiculite has faster adsorption kinetics than LECA (non-stirring…”
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Behaviour of NBD-head group labelled phosphatidylethanolamines in POPC bilayers: a molecular dynamics study by Filipe, Hugo A L, Santos, Lennon S, Prates Ramalho, J P, Moreno, Maria João, Loura, Luís M S

“…A complete homologous series of fluorescent phosphatidylethanolamines (diCnPE), labelled at the head group with a 7-nitrobenz-2-oxa-1,3-diazo-4-yl(NBD)…”
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Influence of the sterol aliphatic side chain on membrane properties: a molecular dynamics study by Robalo, João R, Ramalho, J P Prates, Huster, Daniel, Loura, Luís M S

“…Following a recent experimental investigation of the effect of the length of the alkyl side chain in a series of cholesterol analogues (Angew. Chem., Int. Ed.,…”
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A DFT study on the adsorption of benzodiazepines to vermiculite surfaces by Carvalho, A. J. Palace, Dordio, A. V., Ramalho, J. P. Prates

“…Widespread use of pharmaceuticals such as benzodiazepines has been resulting over the last decades in the dissemination of residues of these compounds in the…”
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T-20 and T-1249 HIV fusion inhibitors' structure and conformation in solution: a molecular dynamics study by Martins Do Canto, António M. T., Palace Carvalho, A. J., Prates Ramalho, J. P., Loura, Luís M. S.

“…Fusion of the HIV envelope with the target cell membrane is a critical step of the HIV entry into the target cell. Several peptides based on the C‐region of…”
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Excess Thermodynamic Properties of Mixtures Involving Xenon and Light Alkanes: A Study of Their Temperature Dependence by Computer Simulation by Martins, Luís F. G, Palace Carvalho, A. J, Prates Ramalho, J. P, Filipe, Eduardo J. M

“…As a natural extension of a previous work, excess molar enthalpies and excess molar volumes as a function of composition in a wide range of temperatures have…”
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Switchable Nonlinear Optical Properties of η5‑Monocyclopentadienylmetal Complexes: A DFT Approach by Mendes, Paulo J, Silva, Tiago J. L, Garcia, M. Helena, Ramalho, J. P. Prates, Carvalho, A. J. Palace

“…Density functional theory (DFT) calculations have been carried out to investigate the switching of the second-order nonlinear optical (NLO) properties of…”
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Adsorption of Normal Pentane on the Surface of Rutile. Experimental Results and Simulations by Rakhmatkariev, G. U, Palace Carvalho, A. J, Prates Ramalho, J. P

“…Adsorption isotherms and differential heats of normal pentane adsorption on microcrystalline rutile were measured at 303 K. The heat of adsorption of n-pentane…”
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Simulation study of argon adsorption on (0 0 1) faces of phyllosilicates by Carvalho, A. Palace, Ramalho, J.P. Prates, Villiéras, F.

“…Grand Canonical Monte Carlo molecular simulations have been performed for argon and nitrogen adsorption on the basal surfaces of phyllosilicates without…”
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Diphenylhexatriene membrane probes DPH and TMA-DPH: A comparative molecular dynamics simulation study by do Canto, António M.T.M., Robalo, João R., Santos, Patrícia D., Carvalho, Alfredo J. Palace, Ramalho, J.P. Prates, Loura, Luís M.S.

“…Fluorescence spectroscopy and microscopy have been utilized as tools in membrane biophysics for decades now. Because phospholipids are non-fluorescent, the use…”
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Mono(η5‑cyclopentadienyl)metal(II) Complexes with Thienyl Acetylide Chromophores: Synthesis, Electrochemical Studies, and First Hyperpolarizabilities by Silva, Tiago J. L, Mendes, Paulo J, Santos, Ana M, Garcia, M. Helena, Robalo, M. Paula, Ramalho, J. P. Prates, Carvalho, A. J. Palace, Büchert, Marina, Wittenburg, Christian, Heck, Jürgen

“…A series of mono(η5-cyclopentadienyl)metal(II) complexes with nitro-substituted thienyl acetylide ligands of general formula [M(η5-C5H5)(L)(CC{C4H2S} n NO2)]…”
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Effects of fluorescent probe NBD-PC on the structure, dynamics and phase transition of DPPC. A molecular dynamics and differential scanning calorimetry study by Loura, Luís M.S., Fernandes, Fábio, Fernandes, A.C., Ramalho, J.P. Prates

“…We present a combined theoretical (molecular dynamics, MD) and experimental (differential scanning calorimetry, DSC) study of the effect of…”
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Chiral monooxazolines as modular copper(I)-heterocomplex building blocks: investigations on the catalytic asymmetric cyclopropanation of alkenes by Carreiro, Elisabete P., Ramalho, J.P. Prates, Burke, Anthony J.

“…Novel chiral monodentate oxazoline ligands have been synthesized in good yields. The catalytic activity of these monodentate oxazoline/Cu catalysts was…”
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Adsorption of Xe atoms on the TiO2(1 1 0) surface: A density functional study by GOMES, J. R. B, PRATES RAMALHO, J. P, ILLAS, F

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