Publications by authors named "Mirtha A O Lourenco"

Developing efficient and durable iron-nitrogen-carbon (Fe-N@C) electrocatalysts with optimal pore architecture is crucial for advancing the oxygen reduction reaction (ORR) in fuel cells. In this study, we demonstrate how hard-templating with tailored silica scaffolds (SBA-15, KIT-6, and a dual SBA-15/KIT-6 template) can tune the pore structure of Fe-N@C materials. In these materials, the pore structure influences the formation and accessibility of active sites for the ORR.

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Porous ZIF-8 and ZIF-67 were synthesized via a green steam-assisted dry-gel technique and investigated as potential catalysts for CO electroreduction. The synthesis conditions are found to significantly influence the growth of these metal-organic frameworks (MOFs). Notably, the water content employed during synthesis plays a crucial role in shaping the morphological properties of ZIF-8.

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This study delves into the potential advantage of utilizing crab shells as sustainable solid adsorbents for CO capture, offering an environmentally friendly alternative to conventional porous adsorbents, such as zeolites, silicas, metal-organic frameworks (MOFs), and porous carbons. The investigation focuses on crab shell waste, which exhibits inherent natural porosity and N-bearing groups, making them promising candidates for CO physisorption and chemisorption applications. Selective deproteinization and demineralization treatments were used to enhance textural properties while preserving the natural porous structure of the crab shells.

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This comprehensive review describes recent advancements in the use of solid-state NMR-assisted methods and computational modeling strategies to unravel gas adsorption mechanisms and CO speciation in porous CO-adsorbent silica materials at the atomic scale. This work provides new perspectives for the innovative modifications of these materials rendering them more amenable to the use of advanced NMR methods.

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Aiming to evaluate how the release profile of naproxen (nap) is influenced by its physical state, molecular mobility, and distribution in the host, this pharmaceutical drug was loaded in three different mesoporous silicas differing in their architecture and surface composition. Unmodified and partially silylated MCM-41 matrices, respectively MCM-41 and MCM-41, and a biphenylene-bridged periodic mesoporous organic matrix, PMO, were synthetized and used as drug carriers, having comparable pore sizes (∼3 nm) and loading percentages (∼30% w/w). The loaded guest was investigated by attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy, powder X-ray diffraction (XRD), differential scanning calorimetry (DSC), and dielectric relaxation spectroscopy (DRS).

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Climate change is leading to a gradual increase in the ocean temperature, which can cause physiological and biochemical impairments in aquatic organisms. Along with the environmental changes, the presence of emerging pollutants such as titanium dioxide (TiO) in marine coastal systems has also been a topic of concern, especially considering the interactive effects that both factors may present to inhabiting organisms. In the present study, it has been assessed the effects of the presence in water of particles of rutile, the most common polymorph of TiO, in Mytilus galloprovincialis, under actual and predicted warming conditions.

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Titanium dioxide (TiO) particles have been widely used in various industrial applications and consumer products. Due to their large production and use, they will eventually enter into aquatic environments. Once in the aquatic environment TiO particles may interact with the organisms and induce toxic effects.

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Periodic mesoporous organosilicas (PMOs) were suggested as potential adsorbents for CO2/CH4 separation because of their large affinities towards CO2 and low interaction with CH4. Herewith, we present a comprehensive computational study on the binding properties of flue gas species with the pore walls of periodic mesoporous phenylene-silica (Ph-PMO) for understanding the possible impact of other gaseous species in the CO2/CH4 separation. The calculations considered three exchange-correlation functionals (PBE, PBE-D2 and M06-2X) based on the density functional theory and the walls of the periodic mesoporous phenylene-silica were modelled within the cluster model approach.

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N-alkylation reaction of amine functionalized phenylene moieties in crystal-like mesoporous silica is successfully achieved with about 87% of conversion in two reaction cycles. A potassium iodide catalyzed method commonly used for the selective N-monoalkylation of aniline is adapted and optimized to the N-monoalkylation reactions of the amine functionalized periodic mesoporous phenylene-silica (NH2-PMO) under microwave irradiation with preservation of the ordered mesostructure and of the crystal-like molecular scale periodicity of the material. This functionalization opens an avenue for the preparation of new materials with different amino-alkyl groups specially designed for a desired application, namely on the adsorption or catalytic fields.

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Zinc and manganese complexes of porphyrin triads have been synthesized and are shown to be efficient as highly sensitive and selective tripod optical sensors for amines at the picomolar level.

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