Synthesis, structure and characterization of a new cadmium(II) iodide containing a tetradentate tripodal amine

A cadmium(II) iodide compound of the [Cd(L)I]I series, with L = tris(2-aminoethyl)amine, is synthesized and characterized. X-ray structural study shows that the title compound has a slightly distorted trigonal bipyramidal environment where the CdN4I chromophore is bounded by N atoms of L and one iodide. In the structural arrangement, the [Cd(L)I]+ cationic complexes are interconnected via N-H···I hydrogen bonds generated by the uncoordinated I iodide anions to form layers parallel to the (a, c) plane. The 13C CP-MAS NMR spectrum is discussed and the vibrational absorption bands were identified by infrared spectroscopy and DFT calculations

Diaqua­bis­(perchlorato)(1,10-phenanthroline)copper(II)

In the title compound, [Cu(ClO4)2(C12H8N2)(H2O)2], the CuII atom is coordinated in a square-planar fashion by the two N atoms of a chelating 1,10-phenanthroline ligand and by two water mol­ecules trans to the N atoms. The coordination sphere of the metal atom is augmented by O atoms of two weakly bonded perchlorate anions, thus yielding a strongly distorted CuN2O4 octa­hedral environment. The crystal packing is stabilized by O—H⋯O hydrogen bonds between the water mol­ecules and the perchlorate anions. In addition, the organic mol­ecules are associated by π–π stacking inter­actions between symmetry-equivalent anti­parallel non-nitro­gen aromatic rings, with inter­planar distances of 3.543 (2) Å

Synthesis, structure and characterization of a new noncentrosymmetric Zn(II) complex with the 2-amino-5-chloropyridine ligand (AClPy)

A new noncentrosymmetric Zn(II) complex with the monodentate ligand 2-amino-5-chloropyridine (AClPy), ZnCl2(C5H5ClN2)2, has been prepared at room temperature and characterized by single crystal X-ray diffraction, 13C CP-MAS-NMR and IR spectroscopies. The basic coordination pattern of the AClPy coordinated metal cations is slighly distorted tetrahedral. The crystal structure is characterized by ZnCl2N2 tetrahedra interconnected via N-H···Cl hydrogen bonds generated by the NH2 amino group to form chains extending along the (a-c) direction. The exocyclic N atom is an electron receiving center, which is consistent with features of imino resonance as evidenced by bond lengths and angles. The crystal structure is stabilized by sets of intra and intermolecular hydrogen bonds. The 13C CP-MAS NMR spectrum is discussed and the vibrational absorption bands are identified by infrared spectroscopy and theoretical calculations

Furfuryl­ammonium chloridozincophosphate

In the title compound, [ZnCl(HPO4)](C5H8NO), polymeric inorganic layers constructed from ZnO3Cl and PO4 tetra­hedra are linked by O atoms: O—H⋯O hydrogen bonds occur within the layers. The organic cations occupy the interlayer regions and interact with the layers by way of N—H⋯O, N—H⋯Cl, and C—H⋯Cl hydrogen bonds

Bis[2-amino-6-methyl­pyrimidin-4(1H)-one-κ2 N 3,O]dichloridocadmium(II)

In the title compound, [CdCl2(C5H7N3O)2], the CdII atom is six-coordinated by two heterocyclic N atoms [Cd—N = 2.261 (2) and 2.286 (2) Å] and two O atoms [Cd—O = 2.624 (2) and 2.692 (2) Å] from two bidentate chelate 2-amino-6-methyl­pyrimidin-4(1H)-one ligands and two chloride ions [Cd—Cl = 2.4674 (6) and 2.4893 (7) Å]. The crystal packing is characterized by an open-framework architecture with the crystal packing stabilized by inter­molecular N—H⋯Cl and N—H⋯O hydrogen bonds

Crystal structure, Hirshfeld surface analysis, and physicochemical studies of a new Cu(II) complex with 2-amino-4-methylpyrimidine

International audienceThe chemical preparation, crystal structure, magnetic study and spectroscopic characterization of the new Cu(II) complex with the monodentate ligand 2-amino-4-methylpyrimidine [Cu2(CH3COO)4(C5N3H7)2] are reported. The copper atoms are surrounded by one nitrogen atom from one 2-amino-4-methylpyrimidine ligand and four oxygen atoms of CH3COO − groups yielding to a penta-coordination of the metal ion. In the structural arrangement, the amino group and the pyrimidine nitrogen atom of neighboring molecules are linked together through a pair of N-H…N hydrogen bonds forming a 1-D corrugated chain running along the [111] direction wherein the complex molecules are located parallel to the (a, c) plane at z = ½. Intermolecular interactions were investigated by Hirshfeld surfaces and contact enrichment tools. Mulliken charge distribution, molecular electrostatic potential (MEP) maps and HOMO and LUMO energy gaps have been computed. The vibrational absorption bands were identified by infrared spectroscopy. Magnetic properties were also studied to characterize the complex

1-Benzyl­piperazine-1,4-diium bis­(perchlorate) monohydrate

In the title compound, C11H18N2 2+·2ClO4 −·H2O, one perchlor­ate anion is disordered over two orientations in a 0.66 (3):0.34 (3) ratio. Inter­molecular O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the cations, anions and water mol­ecules into ribbons extending along [100]

Bis(2-amino-6-methyl­pyrimidin-1-ium-4-olate-κ2 N 3,O)bis­(nitrato-κ2 O,O′)cadmium(II)

In the title compound, [Cd(NO3)2(C5H7N3O)2], the CdII atom is eight-coordinated by two amine N atoms and two O atoms from two zwitterionic, biodentate 2-amino-6-methyl­pyrimidin-1-ium-4-olate ligands and by four O atoms from two nitrate groups. Intra­molecular N—H⋯O hydrogen bonds occur. The crystal packing is stabilized by inter­molecular N—H⋯O and C—H⋯O hydrogen bonds, two of which are bifurcated, between the nitrate anions and the organic groups

Chemical Composition, Antioxidant and Antimicrobial Activities of Thymus capitata

The chemical composition, antioxidant and antimicrobial activities, and the preservative effect of Thymus capitata essential oil against Listeria monocytogenes inoculated in minced beef meat were evaluated. The essential oil extracted was chemically analyzed by gas chromatography-mass spectrometry. Nineteen components were identified, of which carvacrol represented (88.89%) of the oil. The antioxidant activity was assessed in vitro by using both the DPPH and the ABTS assays. The findings showed that the essential oil exhibited high antioxidant activity, which was comparable to the reference standards (BHT and ascorbic acid) with IC50 values of 44.16 and 0.463 μg/mL determined by the free-radical scavenging DPPH and ABTS assays, respectively. Furthermore, the essential oil was evaluated for its antimicrobial activity using disc agar diffusion and microdilution methods. The results demonstrated that the zone of inhibition varied from moderate to strong (15–80 mm) and the minimum inhibition concentration values ranged from 0.32 to 20 mg/mL. In addition, essential oil evaluated in vivo against Listeria monocytogenes showed clear and strong inhibitory effect. The application of 0.25 or 1% (v/w) essential oil of T. capitata to minced beef significantly reduced the L. monocytogenes population when compared to those of control samples (P-value  <0.01)

Global prevalence and genotype distribution of hepatitis C virus infection in 2015 : A modelling study

Publisher Copyright: © 2017 Elsevier LtdBackground The 69th World Health Assembly approved the Global Health Sector Strategy to eliminate hepatitis C virus (HCV) infection by 2030, which can become a reality with the recent launch of direct acting antiviral therapies. Reliable disease burden estimates are required for national strategies. This analysis estimates the global prevalence of viraemic HCV at the end of 2015, an update of—and expansion on—the 2014 analysis, which reported 80 million (95% CI 64–103) viraemic infections in 2013. Methods We developed country-level disease burden models following a systematic review of HCV prevalence (number of studies, n=6754) and genotype (n=11 342) studies published after 2013. A Delphi process was used to gain country expert consensus and validate inputs. Published estimates alone were used for countries where expert panel meetings could not be scheduled. Global prevalence was estimated using regional averages for countries without data. Findings Models were built for 100 countries, 59 of which were approved by country experts, with the remaining 41 estimated using published data alone. The remaining countries had insufficient data to create a model. The global prevalence of viraemic HCV is estimated to be 1·0% (95% uncertainty interval 0·8–1·1) in 2015, corresponding to 71·1 million (62·5–79·4) viraemic infections. Genotypes 1 and 3 were the most common cause of infections (44% and 25%, respectively). Interpretation The global estimate of viraemic infections is lower than previous estimates, largely due to more recent (lower) prevalence estimates in Africa. Additionally, increased mortality due to liver-related causes and an ageing population may have contributed to a reduction in infections. Funding John C Martin Foundation.publishersversionPeer reviewe