Search Results - "Sousa, Francisco F."
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Molecular spectroscopy, solvent effect, and DFT studies of azithromycin solvate
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15-01-2025)“…[Display omitted] •Azithromycin ethanol solvate monohydrate (AZM-MH-EtOH) was synthesized by low evaporation method.•Electronic and spectroscopic properties…”
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Catalytic conversion of glycerol to acrolein over modified molecular sieves: Activity and deactivation studies
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (2011)“…The catalytic conversion of glycerol to acrolein by liquid-phase dehydration over molecular sieves catalysts was studied. In order to understand the role of…”
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Metabolomic Profile, Plasmatic Levels of Losartan and EXP3174, Blood Pressure Control in Hypertensive Patients and Their Correlation with COVID-19
Published in Pharmaceuticals (Basel, Switzerland) (01-09-2023)“…Systemic arterial hypertension (SAH) is one of the most prevalent chronic diseases worldwide and is related to serious health complications. It has been…”
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Tutton salt (NH4)2Zn(SO4)2(H2O)6: thermostructural, spectroscopic, Hirshfeld surface, and DFT investigations
Published in Journal of molecular modeling (2024)“…Context Ammonium Tutton salts have been widely studied in recent years due to their thermostructural properties, which make them promising compounds for…”
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Ethylbenzene to chemicals: Catalytic conversion of ethylbenzene into styrene over metal-containing MCM-41
Published in Journal of molecular catalysis. A, Chemical (02-01-2010)“…The Fe 3+ acid site of the catalyst adsorbs ethylbenzene, reversibly abstracting the α-hydrogen at a basic OH adjacent to the acid site. The base sites, e.g.,…”
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Comprehensive analysis of the electronic, thermodynamic, and spectroscopic properties of a Cu(II)-based complex with 1,10-phenanthroline and L-glutamine
Published in Heliyon (30-10-2024)“…This study reports additional information's of geometric, electronic, thermodynamic, and vibrational properties of a Cu(II) complex with 1,10-phenanthroline…”
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Studies of catalytic activity and coke deactivation of spinel oxides during ethylbenzene dehydrogenation
Published in Applied catalysis. A, General (15-05-2009)“…Among the spinel oxides studied, NiAl 2O 4 showed the highest conversion in ethylbenzene dehydrogenation with CO 2 to produce styrene. The causes of the…”
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Exploring Thermal Stability, Vibrational Properties, and Biological Assessments of Dichloro(l‑histidine)copper(II): A Combined Theoretical and Experimental Study
Published in ACS omega (29-10-2024)“…Dichloro(l-histidine)copper(II) crystal ([Cu(l-His)Cl2] complex) was obtained by the slow evaporation method and characterized concerning its thermal…”
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CeFe-Based Bead Nanocomposites as Catalysts for Oxidation of Ethylbenzene Reaction
Published in Catalysts (01-11-2018)“…Oxides with good catalytic performances and more selectivity to valuable chemicals attract numerous research interests for the oxidation of hydrocarbon fuels…”
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Synthesis, characterization and catalytic performance of metal-containing mesoporous carbons for styrene production
Published in Applied catalysis. A, General (15-03-2011)“…[Display omitted] ► TEM image showed highly ordered carbons with a high graphitisation degree. ► Increased surface area. ► Pt nanoparticles were attached…”
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Metallodrugs: Synthesis, mechanism of action and nanoencapsulation for targeted chemotherapy
Published in Biochemical pharmacology (01-01-2025)“…[Display omitted] As a multifactorial and heterogeneous disease, cancer has a high mortality rate, and the search for more effective treatments is an enormous…”
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Antifungal activity of amino-alcohols based cationic surfactants and in silico, homology modeling, docking and molecular dynamics studies against lanosterol 14-α-demethylase enzyme
Published in Journal of biomolecular structure & dynamics (22-11-2022)“…Fungi are being responsible for causing serious infections in humans and animals. The opportunistic microorganisms provoke environmental contaminations in…”
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Synthesis, electronic and vibrational properties, solvation effects, ADME and cytotoxic assay of aqua-(1,10-phenanthroline)-tyrosinato-copper(II) nitrate dihydrate complex: experimental and theoretical studies
Published in Journal of materials science (01-06-2024)“…The present work reports the antitumor activity and a comprehensive study of the Cu(II) complex with 1,10-phenanthroline and l -tyrosine, synthesized by slow…”
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Combined promoting effect of molybdenum on the bimetallic Al2O3-La2O3 catalysts for NOx reduction by CO
Published in Fuel (Guildford) (01-09-2020)“…•Selective catalytic reduction of NOx by CO.•Mo helping the dispersion of the Co, Ni or Pt active sites.•Pto and Mo6+ redox pair and low interaction PtMo with…”
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Modified coconut shell fibers: A green and economical sorbent for the removal of anions from aqueous solutions
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (15-03-2012)“…Adsorption isotherms for nitrate ions. [Display omitted] ► Removal of inorganic anions from aqueous solution through batch process. ► Characterizations by full…”
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Preparation and Characterization of a Rifampicin Coamorphous Material with Tromethamine Coformer: An Experimental–Theoretical Study
Published in Molecular pharmaceutics (04-03-2024)“…Rifampicin (RIF) is an antibiotic used to treat tuberculosis and leprosy. Even though RIF is a market-available drug, it has a low aqueous solubility,…”
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Structural, thermal, vibrational, solubility and DFT studies of a tolbutamide co-amorphous drug delivery system for treatment of diabetes
Published in International journal of pharmaceutics (05-03-2022)“…[Display omitted] •A new co-amorphous material for the drug tolbutamide with tromethamine.•Stable co-amorphous with a small molecular as a coformer.•Solubility…”
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Structural, Vibrational, Thermal, and Cytotoxic Characterization of Aqua(1,10‐Phenanthroline)(L‐Serinato)Copper(II) Nitrate Complex Combined with DFT Calculations
Published in Crystal research and technology (1979) (01-12-2023)“…In this study, X‐ray diffraction confirms the crystallization of aqua(1,10‐phenanthroline)(L‐serinato)copper(II) nitrate in the triclinic system (P‐1). Density…”
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Phase Transformations of Azithromycin Crystals Investigated by Thermal and Spectroscopic Analyses Combined with Ab Initio Calculations
Published in Crystal growth & design (02-06-2021)“…In this research, we employed thermal analyses, X-ray diffraction, and Raman spectroscopy techniques to study the thermodynamic stability of the azithromycin…”
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