Carbon dioxide capture from air leading to bis-[N-(5-methyl-1H-pyrazol-3-yl-κN2)carbamato-κO]copper(II) tetra-hydrate.

A mononuclear square-planar CuII complex of (5-methyl-1H-pyrazol-3-yl)carbamate, [Cu(C5H6N3O2)2]·4H2O, was synthesized using a one-pot reaction from 5-methyl-3-pyrazolamine and copper(II) acetate in water under ambient conditions. The adsorption of carbon dioxide from air was facilitated by the addition of di-ethano-lamine to the reaction mixture. While di-ethano-lamine is not a component of the final product, it plays a pivotal role in the reaction by creating an alkaline environment, thereby enabling the adsorption of atmos-pheric carbon dioxide. The central copper(II) atom is in an (N2O2) square-planar coordination environment formed by two N atoms and two O atoms of two equivalent (5-methyl-1H-pyrazol-3-yl)carbamate ligands. Additionally, there are co-crystallized water mol-ecules within the crystal structure of this compound. These co-crystallized water mol-ecules are linked to the CuII mononuclear complex by O-H⋯O hydrogen bonds. According to Hirshfeld surface analysis, the most frequently observed weak inter-molecular inter-actions are H⋯O/O⋯H (33.6%), H⋯C/C⋯H (11.3%) and H⋯N/N⋯H (9.0%) contacts.

Alcohol consumption and binge drinking among university students in a city in the state of Rondônia / Consumo de álcool e prática de binge drinkingentre universitários em uma cidade no interior de Rondônia

Objective: to verify the prevalence and pattern of alcohol consumption among the academics of a higher educa-tion institution located in the interior of the state of Rondônia. Methods: cross-sectional and observational study with all students enrolled in the institution in 2017. Were used the Alcohol, Smoking and Substance Involvement Screening Test to identify alcohol consumption and other classes of psychoactive substances. To characterize binge drinking was adopted the definition by the National Institute on Alcohol and Alcoholism and, and exclusion criteria was defined the questionnaire was not filled in completely and the request of the participant. The data were ana-lyzed with SPSS program 17. The univariate analysis was used to describe quantitative variables and the bivariate analysis to verify the association between the use of alcoholic beverages and the independent variables (sex, age) the level of significance was set at 5%. Results: 518 subjects participated in the study, with a mean age of 23.1 years, of which 355 (68.5%) were female and 163 (31.5%) were male. Among these, 385 (74.3%) stated that they consume alcoholic beverages, 282 (54.4%) started consuming less than 18 years and 239 (57%) reported practic-ing BD. Among BD practitioners, 48.9% do so at least once a month.Conclusion: there was a high prevalence of alcohol consumption and binge drinking among university students, which predisposes these individuals to physical, emotional, and social problems. Such findings should serve as a warning for the need for public policies aimed at preventing alcohol consumption that begins during adolescence (AU)

Objetivo: verificar a prevalência e o padrão de consumo de álcool entre acadêmicos de uma instituição de ensino superior do interior do estado de Rondônia. Método: estudo transversal e observacional com todos os estudantes matriculados no ano de 2017. Foi utilizado o Alcohol, Smoking and Substance Involvement Screening Test para identificar o consumo de álcool e outras classes de substâncias psicoativas. Para a caracterização de binge drinkingadotou-se a definição do National Institute on Alcohol and Alcoholism e, como critérios de exclusão, definiu-se o não preenchimento completo do questionário e solicitação do participante. Os dados foram analisados com o auxílio do programa SPSS 17. Procedeu-se à análise univariada para descrição das variáveis quantitativas e análise bivariada para verificar a associação entre o uso de bebidas alcoólicas e as variáveis independentes (sexo, idade), adotan-do-se o nível de significância de 5%. Resultados: participaram do estudo 518 indivíduos, com média de idade de 23,1 anos, sendo 355 (68,5%) do sexo feminino e 163 (31,5%) masculino. Dentre esses, 385 (74,3%) afirmaram que consomem bebidas alcoólicas, 282 (54,4%) iniciaram o consumo com menos de 18 anos e 239 (57%) referiram praticar o BD. Entre os praticantes de BD, 48,9% o fazem pelo menos uma vez ao mês.Conclusão: observou-se elevada prevalência de consumo de bebidas alcoólicas e de prática de binge drinking entre os universitários, o que predispõe esses indivíduos a problemas físicos, emocionais e sociais. Tais achados devem alertar para a necessidade de políticas públicas que visem a prevenção de consumo de álcool que se inicia durante a adolescência (AU)

Synthesis and crystal structure of a one-dimensional chain-like strontium(II) coordination polymer built of N-methyldi-ethano-lamine and isobutyrate ligands.

The one-dimensional coordination polymer (I) [Sr(ib)2(H2mda)] n (Hib = isobutyric acid, C4H8O2, and H2mda = N-methyldi-ethano-lamine, C5H13NO2), namely, catena-poly[[(N-methyldi-ethano-lamine-κ3 O,N,O')strontium(II)]-di-µ2-isobutyrato-κ3 O,O':O;κ3 O:O,O'], was prepared by the one-pot aerobic reaction of [Zr6O4(OH)4(ib)12(H2O)]·3Hib with Sr(NO3)2 and H2mda in the presence of MnCl2 and Et3N in aceto-nitrile. The use of MnCl2 is key to the isolation of I as high-quality colorless crystals in good yield. The mol-ecular solid-state structure of I was determined by single-crystal X-ray diffraction. Compound I crystallizes in the monoclinic space group P21/c and shows a one-dimensional polymeric chain structure. Each monomeric unit of this coordination polymer consists of a central SrII ion in the NO8 coordination environment of two deprotonated ib- ligands and one fully protonated H2mda ligand. The C and O atoms of the H2mda ligand were refined as disordered over two sets of sites with site occupancies of 0.619 (3) and 0.381 (3). Compound I shows thermal stability up to 130°C in air.

Crystal structure of bis-{µ-2-[bis-(2-hy-droxy-eth-yl)amino]-ethano-lato}bis-(µ-3,5-di-methyl-pyrazolato)tricopper(II) dibromide sesquihydrate.

In the title bicyclic trinuclear pyrazolate amino-alcohol complex, [Cu3(C5H7N2)2(C6H14NO3)2]Br2·1.5H2O, the central Cu atom lies on a center of symmetry and is involved in the formation of two five-membered rings. It has a coordination number of 4, is in a distorted tetra-hedral environment and is connected by the bridging oxygen atoms of the deprotonated OH groups of different amino-alcohol groups, and by the N atoms of deprotonated di-methyl-pyrazole ligands. The peripheral Cu atom is in a trigonal-bipyramidal coordination environment formed by the nitro-gen atom of the deprotonated bridging di-methyl-pyrazole unit, the bridging oxygen atom of the deprotonated OH group, two oxygen atoms of the protonated hy-droxy groups and the nitro-gen atom of tri-ethano-lamine. One of the C atoms and the Br- anion were found to be disordered over two positions with occupancy factors of 0.808 (9):0.192 (9) and 0.922 (3):0.078 (3), respectively.

Crystal structure of di-chlorido-1κCl,2κCl-(µ2-3,5-dimethyl-1H-pyrazolato-1κN 2:2κN 1)(3,5-dimethyl-1H-pyrazole-2κN 2){µ-2-[(2-hy-droxy-eth-yl)amino-1κ2 N,O]ethano-lato-1:2κ2 O:O}dicopper(II).

The title compound, [Cu2(C5H7N2)(C4H10NO2)Cl2(C5H8N2)], is a pyrazolate amino-alcohol complex which contains two di-methyl-pyrazole mol-ecules in monodentate and bidentate-bridged coordination modes and a monodeproton-ated di-ethano-lamine mol-ecule. Both copper atoms are involved in the formation of non-planar five-membered chelate rings. One Cu atom is in a distorted tetra-hedral environment formed by the pyridine nitro-gen atom of the protonated di-methyl-pyrazole mol-ecule, the N atom of the deprotonated bridged di-methyl-pyrazole, the Cl atom and the bridged O atom of the monodeprotonated di-ethano-lamine. The second Cu atom has an inter-mediate environment between trigonal bipyramidal and square pyramidal, formed by the N atom of the deprotonated bridged di-methyl-pyrazole, the Cl atom and the N atom of the amino-alcohol, and two O atoms of the deprotonated and protonated OH groups. In the crystal, N-H⋯Cl hydrogen bonds link the molecules into anti-symmetric chains running along the a-axis direction. Adjacent chains are connected by O-H⋯O hydrogen bonds involving the hydroxyl group as donor.

[Morphological markers of liver function in alcohol intoxication]. / Morfologicheskie markery funktsional'noi aktivnosti pecheni pri alkogol'noi intoksikatsii.

The aim of this study was to find additional diagnostic markers characterizing the functional state of the liver to substantiate the cause of death from ethanol poisoning. A total of 95 deaths from acute ethanol poisoning and 15 deaths from craniocerebral injury were studied. Signs of steatosis, chronic hepatitis or cirrhosis were taken into account in histological examination of the liver. The histochemical activity of ethano-locking enzymes was determined in structurally functional zones of the acini: portal pathways (Zone 1), liver beams (Zone 2) and central veins (Zone 3). Quantitative indices characterizing functional-metabolic activity of the liver during acute ethanol poisoning were obtained.

Crystal structure of trans-bis-[2-(1H-benzotriazol-1-yl)acetato-κO]bis-(ethano-lamine-κ2 N,O)copper(II).

The reaction of 2-(1H-benzotriazol-1-yl)acetic acid (HBTA; C8H7N3O2) and mono-ethano-lamine (MEA; C2H7NO) with CuCl2·2H2O resulted in the formation of the title complex, [Cu(C8H6N3O2)2(C2H7NO)2] or [Cu(BTA)2(MEA)2]. Its asymmetric unit comprises one BTA anion coordin-ating to the Cu2+ cation (site symmetry ) through the carboxyl O atom, and one MEA ligand chelating the metal cation by two heteroatoms (O and N). The equatorial Cu-O and Cu-N bond lengths are similar at 2.029 (1) and 1.980 (2) Å, respectively, while the length of the axial Cu-O bond is considerably greater [2.492 (2) Å], as is typical for Jahn-Teller-distorted systems. An intra-molecular hydrogen bond is present between the hy-droxy group of the MEA ligand and the non-coordinating O atom of the carboxyl-ate group. Inter-molecular hydrogen bonding involving the amino function of the MEA ligand and the carboxyl-ate group results in eight-membered rings with an R 2 2(8) graph-set motif. The mol-ecules are further linked by C-H⋯π inter-actions involving the triazole rings and methyl-ene groups of MEA, thus generating an overall three-dimensional supra-molecular framework.

Lamotrigine ethanol monosolvate.

Lamotrigine is an active pharmaceutical ingredient used as a treatment for epilepsy and psychiatric disorders. Single crystals of an ethano-late solvate, C9H7Cl2N5·C2H5OH, were produced by slow evaporation of a saturated solution from anhydrous ethanol. Within the crystal structure, the lamotrigine mol-ecules form dimers through N-H⋯N hydrogen bonds involving the amine N atoms in the ortho position of the triazine group. These dimers are linked into a tape motif through hydrogen bonds involving the amine N atoms in the para position. The ethanol and lamotrigine are present in a 1:1 ratio in the lattice with the ethyl group of the ethanol mol-ecule exhibiting disorder with an occupancy ratio of 0.516 (14):0.484 (14).

Crystal structure of tetra-kis-[µ2-2-(di-methyl-amino)-ethano-lato-κ(3) N,O:O]di-µ3-hydroxido-di-thio-cyanato-κ(2) N-dichromium(III)dilead(II) di-thio-cyanate aceto-nitrile monosolvate.

The tetra-nuclear complex cation of the title compound, [Cr2Pb2(NCS)2(OH)2(C4H10NO)4](SCN)2·CH3CN, lies on an inversion centre. The main structural feature of the cation is a distorted seco-norcubane Pb2Cr2O6 cage with a central four-membered Cr2O2 ring. The Cr(III) ion is coordinated in a distorted octa-hedron, which involves two N atoms of one bidentate ligand and one thio-cyanate anion, two µ2-O atoms of 2-(di-methyl-amino)-ethano-late ligands and two µ3-O atoms of hydroxide ions. The coordination geometry of the Pb(II) ion is a distorted disphenoid, which involves one N atom, two µ2-O atoms and one µ3-O atom. In addition, weak Pb⋯S inter-actions involving the coordinating and non-coordinating thio-cyanate anions are observed. In the crystal, the complex cations are linked through the thio-cyanate anions via the Pb⋯S inter-actions and O-H⋯N hydrogen bonds into chains along the c axis. The chains are further linked together via S⋯S contacts. The contribution of the disordered solvent aceto-nitrile mol-ecule was removed with the SQUEEZE [Spek (2015 ▸). Acta Cryst. C71, 9-18] procedure in PLATON. The solvent is included in the reported mol-ecular formula, weight and density.

Crystal structure of the salt bis-(tri-ethano-lamine-κ(4) N,O,O',O'')cadmium bis[2-(2-oxo-2,3-di-hydro-1,3-benzo-thia-zol-3-yl)acetate].

The reaction of 2-(2-oxo-2,3-di-hydro-1,3-benzo-thia-zol-3-yl)acetic acid (NBTA) and tri-ethano-lamine (TEA) with Cd(CH3OO)2 resulted in the formation of the title salt, [Cd(C6H15NO3)2](C9H6NO3S)2. In its crystal structure, the complex cation [Cd(TEA)2](2+) and two independent NBTA(-) units with essentially similar geometries and conformations are present. In the complex cation, each TEA mol-ecule behaves as an N,O,O',O''-tetra-dentate ligand, giving rise to an eight-coordinate Cd(II) ion with a bicapped trigonal-prismatic configuration. All ethanol groups of each TEA mol-ecule form three five-membered chelate rings around the Cd(II) ion. The Cd-O and Cd-N distances are in the ranges 2.392 (2)-2.478 (2) and 2.465 (2)-2.475 (3) Å, respectively. O-H⋯O hydrogen bonds between the TEA hy-droxy groups and carboxyl-ate O atoms connect cationic and anionic moieties into chains parallel to [110]. Each NBTA(-) anion is additionally linked to a symmetry-related anion through π-π stacking inter-actions between the benzene and thia-zoline rings [minimum centroid-to-centroid separation = 3.604 (2) Å]. Together with additional C-H⋯O inter-actions, these establish a double-layer polymeric network parallel to (001).

Crystal structure of bis-(tri-ethano-lamine-κ(3) N,O,O')nickel(II) bis-(3-hy-droxy-benzoate) tetra-hydrate.

The reaction of 3-hy-droxy-benzoic (m-hy-droxy-benzoic) acid (MHBA), tri-ethano-lamine (TEA) and Ni(NO3)2 in aqueous solution led to formation of the hydrated title salt, [Ni(C6H15NO3)2](C7H5O3)·4H2O. In the complex cation, the Ni(2+) ion is located on an inversion centre. Two symmetry-related TEA ligands occupy all coordination sites in an N,O,O'-tridentate coordination, leading to a slightly distorted NiN2O4 octa-hedron. Two ethanol groups of each TEA ligand form two five-membered chelate rings around Ni(2+), while the third ethanol group does not coordinate to the metal atom. Two MHBA(-) anions in the benzoate form are situated in the outer coordination sphere for charge compensation. An intricate network of hydrogen bonds between the free and coordinating hy-droxy groups of the TEA ligands, the O atoms of the MHBA(-) anions and the water mol-ecules leads to the formation of a two-dimensional structure extending parallel to (010).

Crystal structure of the salt bis-(tri-ethano-lamine-κ(3) N,O,O')cobalt(II) bis-[2-(2-oxo-2,3-di-hydro-1,3-benzo-thia-zol-3-yl)acetate].

The reaction of 2-(2-oxo-2,3-di-hydro-1,3-benzo-thia-zol-3-yl)acetic acid (NBTA) and tri-ethano-lamine (TEA) with Co(NO3)2 results in the formation of the title complex, [Co(C6H15NO3)2](C9H6NO3S)2, which is formed as a result of the association of bis-(tri-ethano-lamine)-cobalt(II) and 2-(2-oxo-2,3-di-hydro-1,3-benzo-thia-zol-3-yl)acetate units. It crystallizes in the monoclinic centrosymmetric space group P21/c, with the Co(II) ion situated on an inversion centre. In the complex cation, the Co(II) ion is octa-hedrally coordinated by two N,O,O'-tridentate TEA mol-ecules with a facial distribution and the N atoms in a trans arrangement. Two ethanol groups of each TEA mol-ecule form two five-membered chelate rings around the Co(II) ion, while the third ethanol group does not coordinate to the metal. The free and coordinating hy-droxy groups of the TEA mol-ecules are involved in hydrogen bonding with the O atoms of NBTA anions, forming an infinite two-dimensional network extending parallel to the bc plane.

Synthesis of Ethano-Bridged Diazapolycenes as Potential Precursors for Diazapolycenes and Their Properties.

A series of ethanodiazapolycenes were prepared in 87%-89% yields by Friedländer reactions of three o-aminoarenecarbaldehydes with bicyclo[2.2.2]octane-2,5-dione and their spectral, thermal, and structural properties were studied. Subsequent attempts to convert them to diazapolycenes have proved unsuccessful.

Crystal structure of aqua-1κO-{µ-2-[(2-hydroxy-ethyl)methylamino]ethanolato-2:1κ(4) O (1),N,O (2):O (1)}[µ-2,2'-(methylimino)diethanolato-1:2κ(4) O,N,O':O]dithiocyanato-1κN,2κN-chromium(III)copper(II).

The title compound, [CrCu(C5H11NO2)(C5H12NO2)(NCS)2(H2O)] or [Cr(µ-mdea)Cu(µ-Hmdea)(NCS)2H2O], (where mdeaH2 is N-methylethanolamine, C5H13NO2) is formed as a neutral heterometal Cu(II)/Cr(III) complex. The mol-ecular structure of the complex is based on a binuclear {CuCr(µ-O)2} core. The coordination environment of each metal atom involves the N,O,O atoms of the tridentate ligand, one bridging O atom of the ligand and the N atom of the thio-cyanato ligands. The Cu(II) ion adopts a distorted square-pyramidal coordination while the Cr(III) ion has a distorted octa-hedral coordination geometry completed by the aqua ligand. In the crystal, the binuclear complexes are linked via two pairs of O-H⋯O hydrogen bonds to form inversion dimers, which are arranged in columns parallel to the a axis. In the µ-mdea ligand two -CH2 groups and the methyl group were refined as disordered over two sets of sites with equal occupancies. The structure was refined as a two-component twin with a twin scale factor of 0.242 (1).

Reprint of: Enantiomeric separation of functionalized ethano-bridged Tröger bases using macrocyclic cyclofructan and cyclodextrin chiral selectors in high-performance liquid chromatography and capillary electrophoresis with application of principal component analysis.

The enantiomeric separation of a series of racemic functionalized ethano-bridged Tröger base compounds was examined by high performance liquid chromatography (HPLC) and capillary electrophoresis (CE). Using HPLC and CE the entire set of 14 derivatives was separated by chiral stationary phases (CSPs) and chiral additives composed of cyclodextrin (native and derivatized) and cyclofructan (derivatized). Baseline separations (Rs ≥ 1.5) in HPLC were achieved for 13 of the 14 compounds with resolution values as high as 5.0. CE produced 2 baseline separations. The separations on the cyclodextrin CSPs showed optimum results in the reversed phase mode, and the LARIHC cyclofructan CSPs separations showed optimum results in the normal phase mode. HPLC separation data of the compounds was analyzed using principal component analysis (PCA). The PCA biplot analysis showed that retention is governed by the size of the R1 substituent in the case of derivatized cyclofructan and cyclodextrin CSPs, and enantiomeric resolution closely correlated with the size of the R2 group in the case of non-derivatized γ-cyclodextrin CSP. It is clearly shown that chromatographic retention is necessary but not sufficient for the enantiomeric separations of these compounds.

Enantiomeric separation of functionalized ethano-bridged Tröger bases using macrocyclic cyclofructan and cyclodextrin chiral selectors in high-performance liquid chromatography and capillary electrophoresis with application of principal component analysis.

The enantiomeric separation of a series of racemic functionalized ethano-bridged Tröger base compounds was examined by high performance liquid chromatography (HPLC) and capillary electrophoresis (CE). Using HPLC and CE the entire set of 14 derivatives was separated by chiral stationary phases (CSPs) and chiral additives composed of cyclodextrin (native and derivatized) and cyclofructan (derivatized). Baseline separations (Rs≥1.5) in HPLC were achieved for 13 of the 14 compounds with resolution values as high as 5.0. CE produced 2 baseline separations. The separations on the cyclodextrin CSPs showed optimum results in the reversed phase mode, and the LARIHC™ cyclofructan CSPs separations showed optimum results in the normal phase mode. HPLC separation data of the compounds was analyzed using principal component analysis (PCA). The PCA biplot analysis showed that retention is governed by the size of the R1 substituent in the case of derivatized cyclofructan and cyclodextrin CSPs, and enantiomeric resolution closely correlated with the size of the R2 group in the case of non-derivatized γ-cyclodextrin CSP. It is clearly shown that chromatographic retention is necessary but not sufficient for the enantiomeric separations of these compounds.