Publications by authors named "Maria Judith Percino"

Two biologically active adamantane-linked hydrazine-1-carbothioamide derivatives, namely 2-(adamantane-1-carbonyl)--(-butyl)hydrazine-1-carbothioamide) and 2-(adamantane-1-carbonyl)--cyclohexylhydrazine-1-carbothioamide have been synthesized. X-ray analysis was conducted to study the effect of the -butyl and cyclohexyl moieties on the intermolecular interactions and conformation of the molecules in the solid state. X-ray analysis reveals that compound exhibits folded conformation, whereas compound adopts extended conformation.

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Structural analysis and docking studies of three adamantane-linked 1,2,4-triazole -Mannich bases (-) are presented. Compounds , and crystallized in the monoclinic 2/, 2 and 2/ space groups, respectively. Crystal packing of was stabilized by intermolecular C-H⋯O interactions, whereas compounds and were stabilized through intermolecular C-H⋯N, C-H⋯S and C-H⋯π interactions.

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The compounds ()-2-(phenyl)-3-(2,4,5-trimethoxyphenyl)acrylonitrile with one side (2,4,5-MeO-), one symmetrical (2,2')-2,2'-(1,4-phenylene)bis(3-(2,4,5-trimethoxyphenyl)acrylonitrile), (both sides with (2,4,5-MeO-), and three positional isomers with pyridine ()-2-(pyridin-2- 3, or 4-yl)-3-(2,4,5-trimethoxyphenyl)acrylonitrile, - were synthetized and characterized by UV-Vis, fluorescence, IR, H-NMR, and EI mass spectrometry as well as single crystal X-ray diffraction (SCXRD). The optical properties were strongly influenced by the solvent (hyperchromic and hypochromic shift), which were compared with the solid state. According to the solvatochromism theory, the excited-state () and ground-state () dipole moments were calculated based on the variation of Stokes shift with the solvent's relative permittivity, refractive index, and polarity parameters.

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In the current study we have evaluated the antibiofilm and antivirulent properties of unexplored essential oils (EOs) obtained from Pogostemon heyneanus and Cinnamomum tamala against Methicillin Resistant Staphylococcus aureus (MRSA) strains. The EOs from both the aromatic plants was screened for their ability to prevent biofilm formation and to disrupt preformed biofilms. The efficacy of both the EOs to disrupt the preformed biofilms of various MRSA strains was determined by Confocal Laser Scanning Microscopy (CLSM) and Scanning Electron Microscopy (SEM).

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The title mol-ecular salt, CHNO·Cl·CHNO, is isotypic with that of the bromide counterpart [Kathiravan (2016 ▸). E, 1544-1548]. The title salt is a second monoclinic polymorph of the l-dopa HCl structure reported earlier in the monoclinic space group 2 [Jandacek & Earle (1971 ▸).

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In the title mol-ecular salt, CHNO·Br·CHNO, one of the dopa mol-ecules is in the cationic form in which the α-amino group is protonated and the α-carb-oxy-lic acid group is uncharged, while the second dopa mol-ecule is in the zwitterion form. The Br anion occupies a special position and is located on a twofold rotation axis. The two dopa mol-ecules are inter-connected by short O-H⋯O hydrogen bonds.

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We report single crystal X-ray diffraction (hereafter, SCXRD) analyses of derivatives featuring the electron-donor N-ethylcarbazole or the (4-diphenylamino)phenyl moieties associated with a -CN group attached to a double bond. The compounds are (2Z)-3-(4-(diphenylamino)-phenyl)-2-(pyridin-3-yl)prop-2-enenitrile (I), (2Z)-3-(4-(diphenylamino)phenyl)-2-(pyridin-4-yl)-prop-2-enenitrile (II) and (2Z)-3-(9-ethyl-9H-carbazol-3-yl)-2-(pyridin-2-yl)enenitrile (III). SCXRD analyses reveal that I and III crystallize in the monoclinic space groups P2/c with Z' = 2 and C2/c with Z' = 1, respectively.

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The synthesis and characterization of the precursor isomers trans-4-(2-(pyridin-2-yl)vinylbenzaldehyde (I), trans-4-(2-(pyridin-4-yl)vinylbenzaldehyde (II), trans-4-(2-(pyridin-2-yl)vinylbenzoic acid (III) and (E)-4-(2-(pydridin-4-yl)vinylbenzoic acid (IV) are reported. These compounds were prepared in order to obtain trans-4-((E)-2-(pyridin-2-yl)vinyl)benzamide-TEMPO (V). Compounds I and II were obtained by using a Knoevenagel reaction in the absence of a condensing agent and solvent.

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A combined theoretical and experimental study on the structure, infrared, UV-Vis and 1H NMR data of trans-2-(m-cyanostyryl)pyridine, trans-2-[3-methyl-(m-cyanostyryl)]pyridine and trans-4-(m-cyanostyryl)pyridine is presented. The synthesis was carried out with an efficient Knoevenagel condensation using green chemistry conditions. Theoretical geometry optimizations and their IR spectra were carried out using the Density Functional Theory (DFT) in both gas and solution phases.

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