Search Results - "Prates Ramalho, João P."
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Chiral enhancement via surface-confined supramolecular self-assembly at the electrified liquid/solid interface
Published in Electrochimica acta (10-08-2021)“…A new simple and convenient strategy for boosting the enantioselectivity of cyclodextrins (CDs) as highly available homochiral macrocyclic hosts using the…”
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Rational Design of Cost-Effective 4-Styrylcoumarin Fluorescent Derivatives for Biomolecule Labeling
Published in Molecules (Basel, Switzerland) (27-09-2023)“…Fluorescent labels are key tools in a wide range of modern scientific applications, such as fluorescence microscopy, flow cytometry, histochemistry, direct and…”
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Methyl-cyclopentadienyl Ruthenium Compounds with 2,2′-Bipyridine Derivatives Display Strong Anticancer Activity and Multidrug Resistance Potential
Published in Inorganic chemistry (16-04-2018)“…New ruthenium methyl-cyclopentadienyl compounds bearing bipyridine derivatives with the general formula [Ru(η5-MeCp)(PPh3)(4,4′-R-2,2′-bpy)]+ (Ru1, R = H;…”
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4
New Red-Shifted 4-Styrylcoumarin Derivatives as Potential Fluorescent Labels for Biomolecules
Published in Molecules (Basel, Switzerland) (22-02-2022)“…Important scientific areas, such as cellular biology, medicine, pharmacy, and environmental sciences, are dependent on very sensitive analytical techniques to…”
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5
A chiral electrochemical system based on l-cysteine modified gold nanoparticles for propranolol enantiodiscrimination: Electroanalysis and computational modelling
Published in Electrochimica acta (05-12-2019)“…Enantioselective electrochemical sensors seem to hold the promise for a fast and easy alternative for the chiral probing of bioactive molecules. However, the…”
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Interactions between Rhodamine Dyes and Model Membrane Systems-Insights from Molecular Dynamics Simulations
Published in Molecules (Basel, Switzerland) (19-02-2022)“…rhodamines are dyes widely used as fluorescent tags in cell imaging, probing of mitochondrial membrane potential, and as P-glycoprotein model substrates. In…”
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Interaction of Hoechst 33342 with POPC Membranes at Different pH Values
Published in Molecules (Basel, Switzerland) (25-07-2023)“…Hoechst 33342 (H33342) is a fluorescent probe that is commonly used to stain the DNA of living cells. To do so, it needs to interact with and permeate through…”
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Modeling Gd3+ Complexes for Molecular Dynamics Simulations: Toward a Rational Optimization of MRI Contrast Agents
Published in Inorganic chemistry (01-08-2022)“…The correct parametrization of lanthanide complexes is of the utmost importance for their characterization using computational tools such as molecular dynamics…”
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A magnetic controllable tool for the selective enrichment of dimethoate from olive oil samples: A responsive molecular imprinting-based approach
Published in Food chemistry (15-07-2018)“…•Dimethoate-imprinted magnetic polymer was successfully synthesized.•Mechanism of template recognition has been underlying by quantum chemical…”
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10
Acetonitrile Adducts of Tranexamic Acid as Sensitive Ions for Quantification at Residue Levels in Human Plasma by UHPLC-MS/MS
Published in Pharmaceuticals (Basel, Switzerland) (23-11-2021)“…The quantitative analysis of pharmaceuticals in biomatrices by liquid chromatography coupled with electrospray ionization tandem mass spectrometry…”
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11
A photoswitchable “host-guest” approach for the selective enrichment of dimethoate from olive oil
Published in Analytica chimica acta (04-12-2018)“…This work describes the development of a new selective photocontrollable molecularly imprinted-based sorbent for the selective enrichment/pre-concentration of…”
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12
Affordable Small Molecules as Promising Fluorescent Labels for Biomolecules
Published in Molecules (Basel, Switzerland) (05-11-2024)“…Fluorescent labels, commonly used in highly sensitive analytical techniques for detecting and tracking biomolecules in critical fields like cellular biology,…”
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13
DFT Investigations on the Ring-Opening Polymerization of Trimethylene Carbonate Catalysed by Heterocyclic Nitrogen Bases
Published in Catalysts (01-10-2022)“…Organocatalysts for polymerization have known a huge interest over the last two decades. Among them, heterocyclic nitrogen bases are widely used to catalyse…”
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14
Interaction of Bile Salts With Lipid Bilayers: An Atomistic Molecular Dynamics Study
Published in Frontiers in physiology (09-04-2019)“…Bile salts (BS) are biosurfactants crucial for emulsification and intestinal absorption of cholesterol and other hydrophobic compounds such as vitamins and…”
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15
Diffusion Coefficients of Fluorinated Surfactants in Water: Experimental Results and Prediction by Computer Simulation
Published in Journal of chemical and engineering data (09-10-2014)“…Intradiffusion coefficients of 2,2,2-trifluoroethanol in water have been measured by the pulsed field gradient (PFG)-NMR spin–echo technique as a function of…”
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The fate of three common plastic nanoparticles in water: A molecular dynamics study
Published in Journal of molecular structure (05-02-2022)“…•Aggregration of polyethylene, PET and nylon 6 chains into nanoparticles in water.•Aggregation and self-organization of small chain polyethylene in compact…”
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Flow-based bioconjugation of coumarin phosphatidylethanolamine probes: Optimised synthesis and membrane molecular dynamics studies
Published in Biochimica et biophysica acta. Biomembranes (01-10-2024)“…A series of phosphatidylethanolamine fluorescent probes head-labelled with 3-carboxycoumarin was prepared by an improved bioconjugation approach through…”
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Influence of Ionic Liquids on the Aggregation and Pre-aggregation Phenomena of Asphaltenes in Model Solvent Mixtures by Molecular Dynamics Simulations and Quantum Mechanical Calculations
Published in Energy & fuels (18-08-2022)“…This work presents a systematic study of asphaltene pre-aggregation phenomena in the absence and in the presence of ionic liquids (ILs) from the family of…”
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Modeling Gd 3+ Complexes for Molecular Dynamics Simulations: Toward a Rational Optimization of MRI Contrast Agents
Published in Inorganic chemistry (01-08-2022)“…The correct parametrization of lanthanide complexes is of the utmost importance for their characterization using computational tools such as molecular dynamics…”
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20
Development of new 2-piperidinium-4-styrylcoumarin derivatives with large Stokes shifts as potential fluorescent labels for biomolecules
Published in RSC advances (15-03-2022)“…A series of novel 2-piperidinium-4-styrylcoumarin derivatives, with large Stokes shifts and high fluorescence quantum yields, were synthesized using an…”
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