Publications by authors named "A Castineiras"

Background: The angiotensin-converting enzyme 2 (ACE2) and the transmembrane serine protease 2 (TMPRSS2) are central human molecules in the SARS-CoV-2 virus-host interaction. Evidence indicates that may influence expression. This study aims to determine whether ACE1, ACE2, and TMPRSS2 mRNA expression levels, along with the ACE1 Alu 287 bp polymorphism (rs4646994), contribute to the severity and mortality of COVID-19.

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Article Synopsis
  • The study focuses on synthesizing and analyzing the structure of a compound featuring imidazolium ions as countercations, based on previously known crystal structures.
  • Various techniques, including thermal stability assessments and spectral analysis, reveal differences in how the pentadentate chelator µ-EDTA interacts with copper centers in two different compounds.
  • The findings highlight the impact of imidazolium ions on the magnetic properties and stability of the structures, supported by DFT calculations showing significant hydrogen bonding and stacking interactions within the trinuclear anion.
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A novel nanosized porous supramolecular nonanuclear complex [Pb(HL)Cl(ClO)](ClO)·15HO(solvent) (·15HO(solvent)) is reported that was synthesized by electrochemical oxidation of a Pb anode under the ambient conditions in a CHCN:MeOH solution of '-phenyl(pyridin-2-yl)methylene--phenylthiosemicarbazide (), containing [N(CH)]ClO as a current carrier. The supramolecular aggregate of is enforced by a myriad of Pb···S tetrel bonds (TtBs) established with the thiocarbonyl sulfur atoms of adjacent species, which have been also analyzed by DFT calculations via 2D maps of ELF, Laplacian and RDG properties. Moreover, Pb···Cl TtBs with the central Cl anion, and Pb···O TtBs with the three oxygen atoms of the ClO anion, were revealed.

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This work describes the synthesis of eight new Pd(II) and Pt(II) complexes with the general formula [M(TSC)Cl], where TSC represents the 4N-monosubstituted thiosemicarbazone derived from 2-acetylpyridine N-oxide with the substituents CH (H4MLO), CH (H4ELO), phenyl (H4PLO) and (CH) (H4DMLO). These complexes have been characterized by elemental analysis, molar conductivity, IR spectroscopy, H, C, Pt and ESI-MS. The complexes exhibit a square planar geometry around the metallic center coordinated by a thiosemicarbazone molecule acting as a donor ONS-type pincer ligand and by a chloride, as confirmed by the molecular structures of the complexes, [Pd(4ELO)Cl] () and [Pd(4PLO)Cl] (), determined by single-crystal X-ray diffraction.

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The reaction between 5-acetylbarbituric acid and 4-dimethylthiosemicarbazide or 4-hexamethyleneiminyl thiosemicarbazide produces 5-acetylbarbituric-4-dimethylthiosemicarbazone (HAcbDM) and 5-acetylbarbituric-4N-hexamethyleneiminyl thiosemicarbazone (HAcbhexim). Eight new complexes with different copper(II) salts have been prepared and characterized using elemental analysis, molar conductance, UV-Vis, ESI-HRMS, FT-IR, magnetic moment, EPR, and cyclic voltammetry. In addition, three-dimensional molecular structures of [Cu(HAcbDM)(HO)](NO)·HO (), [Cu(HAcbDM)(HO)]ClO (), and [Cu(HAcbHexim)Cl] () were determined by single crystal X-ray crystallography, and an analysis of their supramolecular structure was carried out.

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