Search Results - "Prates Ramalho, J.P."

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…”
Get full text

Location and dynamics of acyl chain NBD-labeled phosphatidylcholine (NBD-PC) in DPPC bilayers. A molecular dynamics and time-resolved fluorescence anisotropy study by Loura, Luís M.S., Ramalho, J.P. Prates

“…100-ns molecular dynamics simulations of fluid 1,2-dipalmitoyl- sn-glycero-3-phosphocholine (DPPC) bilayers, both pure and containing…”
Get full text

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…”
Get full text

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

Get full text

Isbut-box : A new chiral C2 symmetric bis-oxazoline for catalytic enantioselective synthesis by DA PLAMA CARREIRO, Elisabete, CHERCHEJA, Serghei, BURKE, Anthony J, PRATES RAMALHO, J. P, RODRIGUES, Ana Isabel

Get full text

Experimental and Simulation Study of n-Heptane Adsorption on Rutile by G.U. Rakhmatkariev, A.J. Palace Carvalho, J.P. Prates Ramalho

“…The adsorption of n-heptane on microcrystalline rutile has been studied experimentally by thermodynamic techniques (adsorption isotherms and microcalorimetry)…”
Get full text

Erratum to “Assessing the importance of Van der Waals interactions on the adsorption of azobenzene on the rutile TiO2(1 1 0) surface” [Chem. Phys. Lett. 545 (2012) 60] by Prates Ramalho, J.P., Illas, Francesc

Get full text

Assessing the importance of Van der Waals interactions on the adsorption of azobenzene on the rutile TiO2(110) surface by Prates Ramalho, J.P., Illas, Francesc

“…The interaction of azobenzene on TiO2(110) is largely dominated by dispersion terms with litle participation of standard covalent chemical bond. [Display…”
Get full text

Palladium catalysed sequential imine arylation/Suzuki–Miyaura coupling: synthesis of α-(biarylyl)benzylamines by Marques, Carolina S., Locati, Abel, Prates Ramalho, J.P., Burke, Anthony J.

“…We report an innovative, high yielding one-pot sequential catalytic imine arylation/Suzuki–Miyaura cross-coupling reaction, which converts suitably activated…”
Get full text

Theoretical study of the adsorption and dissociation of azobenzene on the rutile TiO2(110) surface by Prates Ramalho, J.P., Illas, Francesc

“…Azobenzene on TiO2(110) adopts trans conformation and presence of surface facilitates breaking of the azo bond. [Display omitted] ► Adsorption and dissociation…”
Get full text

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…”
Get full text

Adsorption of Xe atoms on the TiO(2)(1 1 0) surface: A density functional study by Gomes, J.R.B., Ramalho, J.P. Prates, Illas, F

“…The interaction of xenon atoms with the TiO(2)(1 1 0) surface of rutile has been studied by density functional theory methods. Five different possible…”
Get full text

Adsorption of Xe atoms on the TiO 2(1 1 0) surface: A density functional study by Gomes, J.R.B., Ramalho, J.P. Prates, Illas, F.

“…The interaction of xenon atoms with the TiO 2(1 1 0) surface of rutile has been studied by density functional theory methods. Five different possible…”
Get full text

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…”
Get full text

Molecular simulation of C 60 adsorption onto a TiO 2 rutile (1 1 0) surface by Carvalho, A.J. Palace, Ramalho, J.P. Prates

“…A Monte Carlo molecular simulation study is presented on the adsorption and growth of C 60 films on the surface of the (1 1 0) face of rutile. Simulations are…”
Get full text

Arylid-OX and Arylid-BOX derived catalysts: applications in catalytic asymmetric cyclopropanation by Carreiro, Elisabete Palma, Burke, Anthony J., Ramalho, J.P. Prates, Rodrigues, Ana Isabel

“…A novel family of chiral non-racemic monodentate oxazoline ligands known as Arylid-OXs 1a and 1b was prepared in good overall yields. These ligands were…”
Get full text

Molecular simulation of C60 adsorption onto a TiO2 rutile (1 1 0) surface by PALACE CARVALHO, A. J, PRATES RAMALHO, J. P

“…A Monte Carlo molecular simulation study is presented on the adsorption and growth of C60 films on the surface of the (110) face of rutile. Simulations are…”
Get full text

Molecular dynamics simulations of T-20 HIV fusion inhibitor interacting with model membranes by do Canto, A.M.T. Martins, Carvalho, A.J. Palace, Ramalho, J.P. Prates, Loura, Luís M.S.

“…T-20 (also known as enfuvirtide) is a fusion inhibitor peptide known to have some effectiveness in the control of progression of HIV infection by inhibiting…”
Get full text

Cu(I) catalysed cyclopropanation of olefins: Stereoselectivity studies with Arylid-Box and Isbut-Box ligands by Burke, Anthony J., Palma Carreiro, Elisabete da, Chercheja, Serghei, Moura, Nuno M.M., Prates Ramalho, J.P., Rodrigues, Ana Isabel, dos Santos, Carla I.M.

“…Our second generation Arylid-Box ligand family with an unusual arylidene back-bone, was tested in the Cu(I) catalysed asymmetric cyclopropanation of styrene…”
Get full text

Isbut-Box: A new chiral C 2 symmetric bis-oxazoline for catalytic enantioselective synthesis by da Plama Carreiro, Elisabete, Chercheja, Serghei, Burke, Anthony J., Ramalho, J.P. Prates, Rodrigues, Ana Isabel

“…A series of chiral non-racemic isobutylene bis-oxazoline (Isbut-Box) ligands have been synthesised in satisfactory overall yields. The utility of such ligands…”
Get full text