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1

Fluorescence of nitrobenzoxadiazole (NBD) labeled lipids in model membranes is connected not to lipid mobility, but to probe location

Amaro, Mariana, Filipe, Hugo, Prates-Ramalho, Joao, Hof, Martin, Loura, Luis

Journal:

Physical Chemistry Chemical Physics

Année:

2015

Langue:

english

Fichier:

PDF, 4.30 MB

english, 2015

2

A Monte Carlo and transfer-matrix grid path-integral study of the vibrational structure of Br2 in solid argon

J.P. Prates Ramalho, B.J. Costa Cabral, F.M.S. Silva Fernandes

Journal:

Chemical Physics Letters

Année:

1991

Langue:

english

Fichier:

PDF, 613 KB

english, 1991

3

Contrasting apoptotic responses of conjugated linoleic acid in the liver of obese Zucker rats fed palm oil or ovine fat

Paula A. Lopes, Susana V. Martins, Ricardo S.J. Viana, Rita M. Ramalho, Cristina M. Alfaia, Mário S. Pinho, Eliana Jerónimo, Rui J.B. Bessa, Matilde F. Castro, Cecília M.P. Rodrigues, José A.M. Prates

Journal:

Prostaglandins, Leukotrienes and Essential Fatty Acids (PLEFA)

Année:

2011

Langue:

english

Fichier:

PDF, 392 KB

english, 2011

4

Adsorption of two phenoxyacid compounds on a clay surface: a theoretical study

Prates Ramalho, J. P., Dordio, Ana V., Palace Carvalho, A. J.

Journal:

Année:

2013

Langue:

english

Fichier:

PDF, 515 KB

english, 2013

5

A magnetic controllable tool for the selective enrichment of dimethoate from olive oil samples: a responsive molecular imprinting-based approach

Garcia, Raquel, Carreiro, Elisabete P., Ramalho, João P. Prates, Mirão, J., Burke, Anthony J., Gomes da Silva, Marco D.R., Costa Freitas, Ana Maria, Cabrita, Maria João

Journal:

Année:

2018

Langue:

english

Fichier:

PDF, 830 KB

english, 2018

6

Adsorption integral equation via complex approximation with constraints: The Langmuir kernel

Bushenkov, Vladimir A., Ramalho, J. P. Prates, Smirnov, Georgi V.

Journal:

Journal of Computational Chemistry

Année:

2000

Langue:

english

Fichier:

PDF, 416 KB

english, 2000

7

Cesiumauride Ammonia (1/1), CsAu⋅NH3: A Crystalline Analogue to Alkali Metals Dissolved in Ammonia?

Anja-Verena Mudring, Martin Jansen, Jörg Daniels, Steffen Krämer, Michael Mehring, Joao Paulo Prates Ramalho, Aldo Humberto Romero, Michele Parrinello

Journal:

Angewandte Chemie

Année:

2002

Langue:

english

Fichier:

PDF, 198 KB

english, 2002

8

Cesiumauride Ammonia (1/1), CsAu⋅NH3: A Crystalline Analogue to Alkali Metals Dissolved in Ammonia?

Anja-Verena Mudring, Martin Jansen, Jörg Daniels, Steffen Krämer, Michael Mehring, Joao Paulo Prates Ramalho, Aldo Humberto Romero, Michele Parrinello

Journal:

Angewandte Chemie International Edition

Année:

2002

Langue:

english

Fichier:

PDF, 201 KB

english, 2002

9

ChemInform Abstract: Cesiumauride Ammonia (1/1), CsAu×NH3: A Crystalline Analogue to Alkali Metals Dissolved in Ammonia?

Anja-Verena Mudring, Martin Jansen, Joerg Daniels, Steffen Kraemer, Michael Mehring, Joao Paulo Prates Ramalho, Aldo Humberto Romero, Michele Parrinello

Journal:

Année:

2002

Fichier:

PDF, 31 KB

2002

10

Evaluation of phosphinoamidoester-derived Pd catalysts in the asymmetric allylic alkylation reaction: Theoretical studies and mechanistic insights

Vanda R. D. Marinho, J.P.Prates Ramalho, Ana Isabel Rodrigues, Anthony J. Burke

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 225 KB

english, 2011

11

A Comparison of (R,R)-Me-DUPHOS and (R,R)-DUPHOS-iPr Ligands in the Pd0-Catalysed Asymmetric Allylic Alkylation Reaction: Stereochemical and Kinetic Considerations

Vanda Raquel Marinho, J. P. Prates Ramalho, Ana I. Rodrigues, Anthony J. Burke

Journal:

European Journal of Organic Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 526 KB

english, 2009

12

A Comparison of (R,R)-Me-DUPHOS and (R,R)-DUPHOS-iPr Ligands in the Pd0-Catalysed Asymmetric Allylic Alkylation Reaction: Stereochemical and Kinetic Considerations

Vanda Raquel Marinho, J. P. Prates Ramalho, Ana I. Rodrigues, Anthony J. Burke

Journal:

European Journal of Organic Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 56 KB

english, 2010

13

Adsorption integral equation via complex approximation with constraints: kernel of general form

Vladimir A. Bushenkov, J. P. Prates Ramalho, Georgi V. Smirnov

Journal:

Journal of Computational Chemistry

Année:

2001

Langue:

english

Fichier:

PDF, 149 KB

english, 2001

14

Light metal ions in water: Quantal and classical simulations for 7Li+

J.P.Prates Ramalho, M. Natália, D.S. Cordeiro, José A.N.F. Gomes

Journal:

Journal of Molecular Liquids

Année:

1994

Langue:

english

Fichier:

PDF, 738 KB

english, 1994

15

Simulation study of argon adsorption on (0 0 1) faces of phyllosilicates

A. Palace Carvalho, J.P. Prates Ramalho, F. Villiéras

Journal:

Applied Surface Science

Année:

2007

Langue:

english

Fichier:

PDF, 1.09 MB

english, 2007

16

Surface topography problem and argon adsorption on crystalline faces: Monte-Carlo and lattice-gas model simulations

J.P. Prates Ramalho, Alexander B. Rabinovich, Denis V. Yeremich, Yuriy K. Tovbin

Journal:

Applied Surface Science

Année:

2005

Langue:

english

Fichier:

PDF, 399 KB

english, 2005

17

Molecular simulation of C60 adsorption onto a TiO2 rutile (1 1 0) surface

A.J. Palace Carvalho, J.P. Prates Ramalho

Journal:

Applied Surface Science

Année:

2010

Langue:

english

Fichier:

PDF, 508 KB

english, 2010

18

Theoretical study of the adsorption and dissociation of azobenzene on the rutile TiO2(1 1 0) surface

J.P. Prates Ramalho, Francesc Illas

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 699 KB

english, 2011

19

Cu(I) catalysed cyclopropanation of olefins: Stereoselectivity studies with Arylid-Box and Isbut-Box ligands

Anthony J. Burke, Elisabete da Palma Carreiro, Serghei Chercheja, Nuno M.M. Moura, J.P. Prates Ramalho, Ana Isabel Rodrigues, Carla I.M. dos Santos

Journal:

Journal of Organometallic Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 412 KB

english, 2007

20

Adsorption of Xe atoms on the TiO2(1 1 0) surface: A density functional study

J.R.B. Gomes, J.P. Prates Ramalho, F. Illas

Journal:

Surface Science

Année:

2010

Langue:

english

Fichier:

PDF, 1.10 MB

english, 2010

21

Chiral monooxazolines as modular copper(I)-heterocomplex building blocks: investigations on the catalytic asymmetric cyclopropanation of alkenes

Elisabete P. Carreiro, J.P. Prates Ramalho, Anthony J. Burke

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 490 KB

english, 2011

22

Density functional theory calculations on η5-monocyclopentadienylnitrilecobalt complexes concerning their second-order nonlinear optical properties

P.J. Mendes, J.P. Prates Ramalho, A.J.E. Candeias, M.P. Robalo, M.H. Garcia

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2005

Langue:

english

Fichier:

PDF, 182 KB

english, 2005

23

Molecular simulations of nitrogen adsorption in pure silica MCM-41 materials

A.J. Palace Carvalho, T. Ferreira, A.J. Estêvão Candeias, J.P. Prates Ramalho

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2005

Langue:

english

Fichier:

PDF, 205 KB

english, 2005

24

Role played by the organometallic fragment on the first hyperpolarizability of iron–acetylide complexes: A TD-DFT study

Paulo J. Mendes, A.J. Palace Carvalho, J.P. Prates Ramalho

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2009

Langue:

english

Fichier:

PDF, 378 KB

english, 2009

25

Structure and conformation of HIV fusion inhibitor peptide T-1249 in presence of model membranes: A molecular dynamics study

A.M.T. Martins do Canto, A.J. Palace Carvalho, J.P. Prates Ramalho, Luís M.S. Loura

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2010

Langue:

english

Fichier:

PDF, 473 KB

english, 2010

26

DFT studies on thiophene acetylide Ru(II) complexes for nonlinear optics: Structure–function relationships and solvent effects

Paulo J. Mendes, Tiago J.L. Silva, A.J. Palace Carvalho, J.P. Prates Ramalho

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2010

Langue:

english

Fichier:

PDF, 651 KB

english, 2010

27

Influence of surface ionization on the adsorption of aqueous zinc species by activated carbons

P.J.M. Carrott, M.M.L.Ribeiro Carrott, J.M.V. Nabais, J.P.Prates Ramalho

Journal:

Année:

1997

Langue:

english

Fichier:

PDF, 793 KB

english, 1997

28

The benzilic ester rearrangement: synthesis of labelled compounds and theoretical studies

Carolina S. Marques, J. P. Prates Ramalho, Anthony J. Burke

Journal:

Journal of Physical Organic Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 206 KB

english, 2009

29

T-20 and T-1249 HIV fusion inhibitors' structure and conformation in solution: a molecular dynamics study

António M. T. Martins Do Canto, A. J. Palace Carvalho, J. P. Prates Ramalho, Luís M. S. Loura

Journal:

Journal of Peptide Science

Année:

2008

Langue:

english

Fichier:

PDF, 1.49 MB

english, 2008

30

Fluorescent membrane probes’ behavior in lipid bilayers: insights from molecular dynamics simulations

Luís M. S. Loura, J. P. Prates Ramalho

Journal:

Biophysical Reviews

Année:

2009

Langue:

english

Fichier:

PDF, 269 KB

english, 2009

31

Hypervolumes in microcanonical Monte Carlo

Fernando M.S.Silva Fernandes, J.P.Prates Ramalho

Journal:

Computer Physics Communications

Année:

1995

Langue:

english

Fichier:

PDF, 525 KB

english, 1995

32

Isbut-Box: A new chiral C2 symmetric bis-oxazoline for catalytic enantioselective synthesis

Elisabete da Plama Carreiro, Serghei Chercheja, Anthony J. Burke, J.P. Prates Ramalho, Ana Isabel Rodrigues

Journal:

Journal of Molecular Catalysis A: Chemical

Année:

2005

Langue:

english

Fichier:

PDF, 189 KB

english, 2005

33

Arylid-OX and Arylid-BOX derived catalysts: applications in catalytic asymmetric cyclopropanation

Elisabete Palma Carreiro, Anthony J. Burke, J.P. Prates Ramalho, Ana Isabel Rodrigues

Journal:

Tetrahedron: Asymmetry

Année:

2009

Langue:

english

Fichier:

PDF, 477 KB

english, 2009

34

Direct calculation of Förster orientation factor of membrane probes by molecular simulation

Luís M.S. Loura, A.J. Palace Carvalho, J.P. Prates Ramalho

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2010

Langue:

english

Fichier:

PDF, 336 KB

english, 2010

35

Adsorption of Ar atoms on the relaxed defect-free TiO2(110) surface

Gomes, J., Prates Ramalho, J.

Journal:

Physical Review B

Année:

2005

Langue:

english

Fichier:

PDF, 433 KB

english, 2005

36

Molecular dynamics simulations of T-20 HIV fusion inhibitor interacting with model membranes

A.M.T. Martins do Canto, A.J. Palace Carvalho, J.P. Prates Ramalho, Luís M.S. Loura

Journal:

Biophysical Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 1.30 MB

english, 2011

37

Location and dynamics of acyl chain NBD-labeled phosphatidylcholine (NBD-PC) in DPPC bilayers. A molecular dynamics and time-resolved fluorescence anisotropy study

Luís M.S. Loura, J.P. Prates Ramalho

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Année:

2007

Langue:

english

Fichier:

PDF, 1.01 MB

english, 2007

38

Effects of fluorescent probe NBD-PC on the structure, dynamics and phase transition of DPPC. A molecular dynamics and differential scanning calorimetry study

Luís M.S. Loura, Fábio Fernandes, A.C. Fernandes, J.P. Prates Ramalho

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Année:

2008

Langue:

english

Fichier:

PDF, 670 KB

english, 2008

39

Switchable Nonlinear Optical Properties of η 5 -Monocyclopentadienylmetal Complexes: A DFT Approach

Mendes, Paulo J., Silva, Tiago J. L., Garcia, M. Helena, Ramalho, J. P. Prates, Carvalho, A. J. Palace

Journal:

Journal of Chemical Information and Modeling

Année:

2012

Langue:

english

Fichier:

PDF, 499 KB

english, 2012

40

Assessing the importance of Van der Waals interactions on the adsorption of azobenzene on the rutile TiO2(110) surface

Prates Ramalho, J.P., Illas, Francesc

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 824 KB

english, 2012

41

Benzo[ c ]thiophene Chromophores Linked to Cationic Fe and Ru Derivatives for NLO Materials: Synthesis Characterization and Quadratic Hyperpolarizabilities

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

Journal:

European Journal of Inorganic Chemistry

Année:

2013

Langue:

english

Fichier:

PDF, 1.10 MB

english, 2013

42

Accounting for van der Waals interactions between adsorbates and surfaces in density functional theory based calculations: selected examples

Ramalho, João P. Prates, Gomes, José R. B., Illas, Francesc

Journal:

Année:

2013

Langue:

english

Fichier:

PDF, 1.18 MB

english, 2013

43

Phase diagram of C[sub 60] from ab initio intermolecular potential

Ferreira, A. L. C., Pacheco, J. M., Prates-Ramalho, J. P.

Journal:

The Journal of Chemical Physics

Année:

2000

Langue:

english

Fichier:

PDF, 393 KB

english, 2000

44

A Family of Styrylcoumarins: Synthesis, Spectroscopic, Photophysical and Photochemical Properties

Avó, João, Martins, Sérgio, Parola, A. Jorge, Lima, João C., Branco, Paula S., Prates Ramalho, João P., Pereira, António

Journal:

Année:

2013

Langue:

english

Fichier:

PDF, 418 KB

english, 2013

45

Behavior of Fluorescent Cholesterol Analogues Dehydroergosterol and Cholestatrienol in Lipid Bilayers: A Molecular Dynamics Study

Robalo, João R., do Canto, António M. T. Martins, Carvalho, A. J. Palace, Ramalho, J. P. Prates, Loura, Luís M. S.

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 689 KB

english, 2013

46

THE Horace Dobell Lecture ON AN EXPERIMENTAL INVESTIGATION OF SPIROCHÆTA DUTTONI, THE PARASITE OF TICK FEVER.

Prates Ramalho, J.P., Illas, Francesc

Journal:

Année:

1920

Langue:

english

Fichier:

PDF, 1.82 MB

english, 1920

47

Erratum to “Assessing the importance of Van der Waals interactions on the adsorption of azobenzene on the rutile TiO2(110) surface” [Chem. Phys. Lett. 545 (2012) 60]

Prates Ramalho, J.P., Illas, Francesc

Journal:

Chemical Physics Letters

Année:

2013

Langue:

english

Fichier:

PDF, 129 KB

english, 2013

48

Adsorption of sulfamethoxazole molecule on silver colloids: A joint SERS and DFT study

Ungurean, Alia, Oltean, Mircea, David, Leontin, Leopold, Nicolae, Prates Ramalho, João P., Chiş, Vasile

Journal:

Journal of Molecular Structure

Année:

2014

Langue:

english

Fichier:

PDF, 1.78 MB

english, 2014

49

Mono(η 5 -cyclopentadienyl)metal(II) Complexes with Thienyl Acetylide Chromophores: Synthesis, Electrochemical Studies, and First Hyperpolarizabilities

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

Journal:

Organometallics

Année:

2014

Langue:

english

Fichier:

PDF, 1.93 MB

english, 2014

50

Excess Thermodynamics of Mixtures Involving Xenon and Light Linear Alkanes by Computer Simulation

Carvalho, A. J. Palace, Ramalho, J. P. Prates, Martins, Luís F. G.

Journal:

Journal of Physical Chemistry B

Année:

2007

Langue:

english

Fichier:

PDF, 114 KB

english, 2007