Taxonomy of correlations of wind velocity — an application to the Sicilian area

We present an algorithm that allows us to analyze the cross-correlation of wind velocity measured in different locations; this algorithm is applied to 29 recording stations in Sicily. The results show that such correlations present a significant and persistent ultrametric structure that is influenced by the geographical neighborhood as well as by the presence of mountain and the sea. The algorithm presented, that is also able to reveal weak correlations, can be used as a starting point for the development of multivariate models of wind.     

Unravelling the Phytochemical Composition and the Pharmacological Properties of an Optimized Extract from the Fruit from Prunus mahaleb L.: From Traditional Liqueur Market to the Pharmacy Shelf

Prunus mahaleb L. fruit has long been used in the production of traditional liqueurs. The fruit also displayed scavenging and reducing activity, in vitro. The present study focused on unravelling peripheral and central protective effects, antimicrobial but also anti-COVID-19 properties exerted by the water extract of P. mahaleb. Anti-inflammatory effects were studied in isolated mouse colons exposed to lipopolysaccharide. Neuroprotection, measured as a blunting effect on hydrogen-peroxide-induced dopamine turnover, was investigated in hypothalamic HypoE22 cells. Antimicrobial effects were tested against different Gram+ and Gram- bacterial strains. Whereas anti-COVID-19 activity was studied in lung adenocarcinoma H1299 cells, where the gene expression of ACE2 and TMPRSS2 was measured after extract treatment. The bacteriostatic effects induced on Gram+ and Gram- strains, together with the inhibition of COX-2, TNFα, HIF1α, and VEGFA in the colon, suggest the potential of P. mahaleb water extract in contrasting the clinical symptoms related to ulcerative colitis. The inhibition of the hydrogen peroxide-induced DOPAC/DA ratio indicates promising neuroprotective effects. Finally, the downregulation of the gene expression of ACE2 and TMPRSS2 in H1299 cells, suggests the potential to inhibit SARS-CoV-2 virus entry in the human host. Overall, the results support the valorization of the local cultivation of P. mahaleb.     

Structural and spectroscopic properties of 2-thiophenecarboxaldehyde 2-thienylhydrazone

In this paper the crystal and molecular structure of the title compound is reported. The crystals are monoclinic, P2₁/c,Z=4,a=13.406(4),b=5.367(1),c=15.545(6)Å,=110.00(5)°. The structure was solved by direct and Fourier methods and refined by full-matrix least squares toR=0.0497 andRw=0.0537 for 1094 unique reflections. The molecule shows an E-conflguration with respect to the C=N double bond. Mass and IR spectra are also discussed.     

Crystal and molecular structures of 1-phenyl-4,6-dimethylpyrimidine-2-thionetetraaquacobalt(II) dinitrate complex and of two pyrimidine thiones

The crystal structures of 1-phenyl-4,6-dimethylpyrimidine-2-thionetetraaquacobalt(II) dinitrate (I)a=9.032(2),b=12.458(2),c=18.067(3)Å,=103.25(3)°,Z=4;P2₁/c,R=0.049; 1-phenyl-4,6-dimethylpyrimidine-2-thione (II)a=12.005(3),b=10.090(2),c=9.649(2)Å,=104.4(1)°,Z=4;P2₁/n,R=0.038; and 4,6-dimethylpyrimidine-2-thione (III)a=15.485(3),b=13.255(3),c=7.127(2)Å,=104.3(1)°,Z=8,C2/c,R=0.041 are reported. In (I) the coordination around the cobalt(II) is distorted octahedral involving one ligand moleculevia sulphur and nitrogen atoms and four water molecules. It is relevant that the parameters in the complexed ligand are not different from those found in the uncomplexed one (II), excepting the distances on the nitrogen atom directly involved in the coordination. Bond distances and angles in compound (III) agree with those found in (II).     

Synthesis and X-ray structure of tetrakis[μ-(3,4-dimethoxy-α-β-dihydrocinnamato)] dimethanoldicopper(II)

The synthesis, magnetic, and structural properties of the title compound are reported. The crystals are triclinic, space groupP¯1, witha=15.084(2),b=11.820(1),c=7.5253(7) Å, =71.50(1),=77.61(1), =68.68(1)° andZ=1; the structure was solved by Patterson and Fourier methods and refined toR 0.0351 for 4147 observed reflections. The content of the unit cell consists of a centrosymmetrical copper acetate-like molecule in which each copper can be described as square-pyramidally surrounded by four carboxylic oxygens in the basal plane [1.955(2)–1.970(2) Å], one methanolic oxygen in the apical site [2.206(2) Å] and a CuCu interaction of 2.612(5) Å at a sixth position of a distorted octahedron. The dimers are packed by means of hydrogen bonds formed between the methanolic OH group and the carboxylic O(2) atom of one adjacent complex and by normal Van der Waals contacts. The subnormal magnetic moment, characteristic of exchange interactions between the two copper(II) ions, and the energy of the d-d band observed are consistent with the reported dinuclear copper(II) acetate-like structure.     

Clustering dynamics in water/methanol mixtures: a nuclear magnetic resonance study at 205 k<T<295 k

Proton nuclear magnetic resonance (1H NMR) experiments have been performed to measure the spin-lattice, T1, and spin-spin, T2, relaxation times of the three functional groups in water/methanol mixtures at different methanol molar fractions (XMeOH=0, 0.04, 0.1, 0.24, 0.5, 1) as a function of temperature in the range 205 K相似文献   

Thioflavin T hydroxylation at basic pH and its effect on amyloid fibril detection

The fluorescent dye thioflavin T (ThT) is commonly used for in situ amyloid fibril detection. In this work, we focused on the spectroscopic properties and chemical stability of ThT in aqueous solution as a function of pH, temperature, and dye concentration. A reversible hydroxylation process occurs in alkaline solutions, which was characterized using a combination of UV-vis absorption spectroscopy, proton NMR, and density functional theory (DFT). On the basis of these studies, we propose a chemical structure for the hydroxylated form. Finally, by means of fluorescence spectroscopy, ThT hydroxylation effects on in situ amyloid detection have been investigated, providing new insights on the efficiency of the ThT assay for quantitative fibril evaluation at basic pH.     

Semisynthesis of new D-seco-C-nor-taxane derivatives containing a polyfunctionalized furanosyl or cyclopentenyl or cyclopentyl C-ring

The synthesis of new D-seco-C-nor-taxane derivatives in which the D-ring has been deleted and the C-ring has been transformed into a new pentatomic ring, i.e., the polyfunctionalized tetrahydrofuranosyl and cyclopentenyl or cyclopentyl ring, was performed starting from baccatin III derivatives. The synthetic strategy adopted took advantage of the oxetane ring opening and disconnection of the C4-C5 bond, followed by an intramolecular condensation. The formation of furanosyl or cyclopentyl rings is strictly dependent on the presence of unprotected or protected oxygen at C-7 in the starting material. The reactions proceeded with good diastereoselectivity with control of the stereochemistry of one or two stereocenters.