Carob Seed Peels Effect on Cognitive Impairment and Oxidative Stress Status in Methionine-Induced Mice Models of Schizophrenia.

Background:Ceratonia siliqua L. (Carob tree) is a Mediterranean evergreen, well known for its medicinal properties. The different parts of Carob were proven to exert antidiabetic, antibacterial, antifungal, and antiproliferative effects. Hence, the present paper aims to validate the positive correlation between the high antioxidant activity of carob seed peels and the improvement of negative symptoms of schizophrenia. Materials & Methods: The antioxidant activity was carried out using the ß-carotene test. Methionine and carob seed peels (CSP) extracts (50 and 100 mg/kg) were orally administrated to mice for a week. After administration, behavioral tests were assessed using the Y-maze, elevated plus maze, and forced swimming tests, as well as the novel object recognition task. Furthermore, the oxidative stress status was evaluated by analyzing the levels of the antioxidant enzymes: Superoxide dismutase (SOD), glutathione peroxidase (GPx), and malondialdehyde levels (MDA). Results: Both extracts exhibited remarkable antioxidant activity and showed antibacterial effect against Gram-positive bacteria tested (Bacillus subtilis and Staphylococcus aureus) and against Pseudomonas aeruginosa (Gram-negative). Therefore, Escherichia coli was very resistant. The behavioral tests proved the efficacy of CSP in enhancing the cognitive impairment of animal models of schizophrenia. Hence, the stated correlation between oxidative stress and schizophrenia was confirmed by the increased SOD and GPx activities and the decreased MDA level. Conclusions: The present study gave further confirmation of the potential correlation between oxidative stress and the development of psychiatric disorders and highlighted the use of natural antioxidants, especially Ceratonia siliqua L. in the improvement of cognitive impairment in the dementia of schizophrenia.

Design new epoxy nanocomposite coatings based on metal vanadium oxy-phosphate M0.5VOPO4 for anti-corrosion applications.

Epoxy nanocomposite coatings are an essential way to protect petroleum storage tanks from corrosion. For this purpose, the new nanocomposite epoxy coatings (P-M/epoxy composites) have been successfully designed. The P-M/epoxy composites are based on the metal vanadium oxy-phosphate M0.5VOPO4 (where M = Mg, Ni, and Zn). The function of P-M/epoxy composites as anti-corrosion coatings was explored using electrochemical and mechanical tests. Using electrochemical impedance spectroscopy (EIS), it has been noticed that the pore resistance and polarization resistance of the P-M/epoxy composites remain higher as compared to the neat epoxy. The P-M/epoxy composites have the greatest impact on the cathodic dis-bonded area and water absorption. Besides, P-M/epoxy composites exhibit a very high order of mechanical properties. Further, Mg0.5VOPO4 has the greatest effect on the anti-corrosion properties of epoxy coating followed by Zn0.5VOPO4 and Ni0.5VOPO4. All these properties lead to developing effective anti-corrosion coatings. Thus, the net result from this research work is highly promising and provides a potential for future works on the anti-corrosion coating.

Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives.

Four novel TPDCA derivatives were prepared via a supersaturation method combining TPDCA with water, N-methyl-2-pyrrolidone (NMP), Na(PO2H2), and ammonia solution: 2(C9H7NO5S)H2O (1), (C9H7NO5S)C5H9NO (2), (C9H7NO5S)Na(PO2H2) (3), and (C9H5NO5S)(NH4)2(H2O) (4). Their crystal structures were determined by single-crystal X-ray diffraction. Compounds (1) and (2) crystallize in the monoclinic space groups P21 and P21/c, respectively, whereas compounds (3) and (4) crystallize in the triclinic space group P1̅. Weak and moderate hydrogen bonds were detected in the four compounds. In the biological tests, (1) and (3) exhibited significant antibacterial activity against Escherichia coli and Staphylococcus aureus; in addition, (1) was cytotoxic against leukemia HL-60 cells with the IC50 value of 158.5 ± 12.5 µM.

Single crystal structure, vibrational spectroscopy, gas sorption and antimicrobial properties of a new inorganic acidic diphosphates material (NH4)2Mg(H2P2O7)2•2H2O.

We report on the successful synthesis of diammonium magnesium dihydrogendiphosphate (V) dihydrate compound (NH4)2Mg(H2P2O7)2•2H2O using a wet chemical route. Single crystal X-ray diffraction analysis and micro Raman spectroscopy are employed to characterize the compound. We demonstrate, using a multidisciplinary approach, that this compound is ideal for carbon dioxide (CO2) capture in addition to other anthropogenic gasses. We show here -from both an experimental as well as from a density functional theory (DFT) calculations routes- the potential for adopting this compound into domestic air-conditioning units (ACUs). From these experiments, the resistance to bacterial growth is also investigated, which is critical for the adoption of this compound in ACUs. Our  compound exhibits a higher methane (CH4) sorptivity as compared to CO2 at 25 °C and 45 °C under pressures up to 50 bars. Furthermore, DFT electronic structure calculations are used to compute the main structural and electronic properties of the compound, taking into consideration the characteristics of the identified pores as a function of the progressive CO2 vs. CH4 loadings. Finally, the antibacterial assay reveals a strong antibacterial activity against the tested Gram-positive and Gram-negative bacteria, with a large zone of inhibition against the tested E. Coli, S. Aureus and K. Pneumonia.

Dinuclear Cyclam Complex as a Non-Cytotoxic, Anti-Hyperurecemic Lead: In vitro to In vivo Studies.

BACKGROUND: Uric acid is the end product of purine metabolism in humans and its increased level in serum leads to hyperuricemia. Among the different regulatory factors to control the level of uric acid in humans, xanthine oxidase (XO) is a well-established pharmacological target, as it is directly involved in uric acid production. METHODS: The aim of the study was to present a systematic approach to analyze the xanthine oxidase inhibition studies from in vitro leading to in vivo. RESULTS: Initially, dinuclear cyclam complex 1 was evaluated for in-vitro XO inhibitory activity using a spectrophotometric assay. Significant results were obtained in XO inhibition assay (IC50 = 3.70 ± 0.07 µM), in comparison to the standard drug, allopurinol (IC50 = 2.00 ± 0.01 µM). Complex 1 showed a non-competitive type of inhibition in kinetic studies. Complex 1 was also found to be non-cytotoxic in MTT assay, as it did not affect the viability of 3T3-cell line. Based on these results, compound 1 was further evaluated for the in-vivo xanthine oxidase inhibitory activity. An in-vivo model was used to evaluate the XO inhibitory activity in plasma samples of male Wistar rats. Complex 1 showed a significant inhibition of xanthine oxidase activity (50%), in comparison to the standard inhibitor allopurinol (100%). Therefore, non-cytotoxic compound 1 could be considered as an anti-hyperurecemic lead for further studies. CONCLUSION: Our studies concluded that complex 1 is a non-cytotoxic inhibitor that decreases the activity of XO in a non-competitive manner. It can serve as a potential anti-hyperurecemic lead after further pre-clinical and clinical studies.

Di-hydro-cyclam dimaleate [H2(cyclam)(maleate)2].

The asymmetric unit of the title mol-ecular salt [systematic name: 1,4,8,11-tetraazacyclotetradecane-1,8-diium bis(3-carboxy-prop-2-enoate)], C10H26N4 (2+)·2C4H3O4 (-), contains two half-cations (both completed by crystallographic inversion symmetry) and two maleate anions. The cyclam macrocycles adopt trans-III conformations, supported by two intra-molecular N-H⋯O hydrogen bonds. The O-bonded H atom of each maleate ion is disordered over two positions with an occupancy ratio of 0.61 (5):0.39 (5): each one generates an intra-molecular O-H⋯O hydrogen bond. In the crystal, the cations are linked to the anions by N-H⋯O hydrogen bonds, generating [001] chains.

Ortho-rhom-bic polymorph of (6,7-dimeth-oxy-1,2,3,4-tetra-hydro-isoquinolin-1-yl)methanol.

The asymmetric unit of the title compound, C(12)H(17)NO(3), contains two mol-ecules with different conformations. It is a polymorph of the monoclinic form [El Antri et al. (2004 ▶). Mol-ecules, 9, 650-657]; the samples were crystallized at different temperatures from the same solvent. In both structures, mol-ecules are linked by O-H⋯N hydrogen bonds, forming chains. The conformations of the chains and their packing differ markedly in the two polymorphs.

The triclinic form of dipotassium cobalt(II) bis-(dihydrogendiphosphate) dihydrate.

In the title compound, K(2)Co(H(2)P(2)O(7))(2)·2H(2)O, the octa-hedrally coordinated Co(2+) ion lies on an inversion centre. Two bidentate dihydrogendiphosphate anions form the equatorial plane of the [CoO(6)] octa-hedron which is completed by two water mol-ecules in axial positions. This results in isolated {Co(H(2)O)(2)[H(2)P(2)O(7)](2)}(4-) entities linked into a three-dimensional network through K-O bonds and O-H⋯O hydrogen-bonding inter-actions involving the dihydrogendiphosphate anions and water mol-ecules. The dihydrogendiphosphate anion, (H(2)P(2)O(7))(2-), is bent and shows an almost eclipsed conformation.

Reinvestigation of 4-methyl-anilinium dihydrogen phosphite.

The crystal structure of the title compound, C(7)H(10)N(+)·H(2)PO(3) (-), has been reported previously by Sabounchei & Naghipour [Asian J. Chem. (2003) ▶, 15, 1677-1686]. A new look at this compound has revealed doubling of the unit cell. The asymmetric unit consists of two 4-methyl-anilinium cations and two dihydrogen phosphite anions. The crystal structure is built upon alternating layers of organic cations and dihydrogen phosphite anions stacked along c. The organic layer is stabilized by C-H⋯π interactions. Weak aromatic π-π stacking interactions with centroid-centroid distances of 4.6147 (12), 4.6917 (12), 4.6932 (13) and 4.8366 (13) Šare also observed in the structure. The dihydrogen phosphite anions are linked by O-H⋯O hydrogen bonds into chains running parallel to the a-axis direction. These chains are connected to the cation layer by N-H⋯O hydrogen bonds.

1,4,8,11-Tetra-azoniacyclo-tetradecane diaqua-tetra-chloridomanganese(II) dichloride dihydrate.

The title compound, (C(10)H(28)N(4))[MnCl(4)(H(2)O)(2)]Cl(2)·2H(2)O, consists of isolated octa-hedral [MnCl(4)(H(2)O)(2)](2-) anions, tetra-protonated 1,4,8,11-tetra-azoniacyclo-tetradecane cations, chloride anions and water mol-ecules connected by a network of hydrogen bonds. The Mn(II) atom is situated on an inversion centre, and the 1,4,8,11-tetra-azoniacyclo-tetradecane cation is located on a mirror plane.

Poly[ethane-1,2-diammonium tetra-µ-chlorido-cadmate(II)].

The framework of the title compound, {(NH(3)CH(2)CH(2)NH(3))[CdCl(4)]}(n), is built upon layers parallel to (100) made up from corner-sharing [CdCl(6)] octa-hedra. NH(3)CH(2)CH(2)NH(3) (2+) cations are situated between the layers and are linked to the layers via an N-H⋯Cl hydrogen-bonding network. The Cd atom is located on an inversion centre and the coordination environment is described as highly distorted octa-hedral.

Ni(2)Si(P(2)O(7))(2).

Dinickel(II) silicon bis-[diphosphate(4-)], Ni(2)Si(P(2)O(7))(2), is isotypic with other phosphates of the formula M(2)Si(P(2)O(7))(2) (M = Co, Cd). All atoms except Si (site symmetry 2) are found in general positions. Ni(2)O(10) dimers formed from edge-sharing NiO(6) octa-hedra are linked by corners and O-P-O bridges, forming slabs parallel to (100), which are in turn inter-connected by O-Si-O contacts.

Dilead(II) hydrogen-phosphite dinitrate.

In the title compound, Pb(2)(HPO(3))(NO(3))(2), the two distinct Pb(2+) ions (both with site symmetry m) adopt irregular PbO(10) coordination polyhedra. The structure is completed by two distinct nitrate groups (in which one O atom and the N atom have m site symmetry for both ions) and an HPO(3) (2-) anion (in which one O atom and the P and H atoms have m site symmetry). The connectivity of the PbO(10), NO(3) and HPO(3) units in the crystal structure results in a three-dimensional network.

Chemical-genetic profiling of imidazo[1,2-a]pyridines and -pyrimidines reveals target pathways conserved between yeast and human cells.

Small molecules have been shown to be potent and selective probes to understand cell physiology. Here, we show that imidazo[1,2-a]pyridines and imidazo[1,2-a]pyrimidines compose a class of compounds that target essential, conserved cellular processes. Using validated chemogenomic assays in Saccharomyces cerevisiae, we discovered that two closely related compounds, an imidazo[1,2-a]pyridine and -pyrimidine that differ by a single atom, have distinctly different mechanisms of action in vivo. 2-phenyl-3-nitroso-imidazo[1,2-a]pyridine was toxic to yeast strains with defects in electron transport and mitochondrial functions and caused mitochondrial fragmentation, suggesting that compound 13 acts by disrupting mitochondria. By contrast, 2-phenyl-3-nitroso-imidazo[1,2-a]pyrimidine acted as a DNA poison, causing damage to the nuclear DNA and inducing mutagenesis. We compared compound 15 to known chemotherapeutics and found resistance required intact DNA repair pathways. Thus, subtle changes in the structure of imidazo-pyridines and -pyrimidines dramatically alter both the intracellular targeting of these compounds and their effects in vivo. Of particular interest, these different modes of action were evident in experiments on human cells, suggesting that chemical-genetic profiles obtained in yeast are recapitulated in cultured cells, indicating that our observations in yeast can: (1) be leveraged to determine mechanism of action in mammalian cells and (2) suggest novel structure-activity relationships.

Terbium(III) hydrogendiphosphate(V) tetra-hydrate.

The Tb atom of the title compound, TbHP(2)O(7)·4H(2)O, is coordinated by the O atoms of three symmetrically independent water mol-ecules and by five O atoms belonging to HP(2)O(7) (-) groups. The TbO(8) polyhedra are inter-connected by the diphospate anions, forming a three-dimensional network which is additionally stabilized by O-H⋯O hydrogen bonding between water mol-ecules and O atoms of the HP(2)O(7) (-) anions. Uncoordinated water mol-ecules are situated in channels and are connected via hydrogen bonds with the framework.

N-(2-Phenyl-imidazo[1,2-a]pyridin-3-yl)acetamide.

The crystal structure of the title compound, C(15)H(13)N(3)O, consists of columns of mol-ecules that are inter-connected by N-H⋯N hydrogen bonds in the direction of the b axis. The torsion angle between the imidazo[1,2-a]pyridine ring system and the phenyl ring is 9.04 (5)°.

2-Phenyl-imidazo[1,2-a]pyridine-3-carbaldehyde.

In the title compound, C(14)H(10)N(2)O, the dihedral angle between the imidazo[1,2-a]pyridine and phenyl rings is 28.61 (4)° The mol-ecules are connected into broad chains parallel to the a axis by weak C-H⋯O and C-H⋯N hydrogen bonds. The linking of the ribbons is provided by π-π stacking inter-actions between neighbouring pyridine rings, with a centroid-centroid distance of 3.7187 (7) Å.

Ammonium ytterbium(III) diphosphate(V).

The title compound, NH(4)YbP(2)O(7), crystallizes in the KAlP(2)O(7) structure type and consists of distorted YbO(6) octa-hedra and bent P(2)O(7) (4-) diphosphate units forming together a three-dimensional network. There are channels in the structure running along the c axis, where the NH(4) (+) cations are located. They are connected via N-H⋯O hydrogen bonds to the terminal O atoms of the diphosphate anions.

Dicaesium magnesium bis-(dihydrogen phosphate(V)) dihydrate.

The title compound, Cs(2)Mg(H(2)P(2)O(7))(2)·2H(2)O, is isostructural with the related known isoformular phosphates. The crystal framework consists of corner-sharing MgO(6) and H(2)P(2)O(7) polyhedra, leading to tunnels parallel to the b-axis direction in which Cs(+) ions are located. The H(2)P(2)O(7) unit shows a bent eclipsed conformation. The Mg(2+) ion lies on an inversion center. The water molecules form hydrogen bonds to O atoms of two different dihydrogenphosphate ions, which are further hydrogen bonded to symmetry-equivalent dihydrogenphosphate ions.

The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate.

Chromium(II) diphosphate, Cr(2)P(2)O(7), has an incommensurately modulated structure at ambient conditions with a = 7.05, b = 8.41, c = 4.63 A, beta = 108.71 degrees and q = (-0.361, 0, 0.471). It undergoes a phase transition towards a commensurate structure with a commensurate q vector, q = (-1/3, 0, 1/2), at T(c) = 285 K. The incommensurate structure has been solved by the charge-flipping method, which yielded both the basic positions of the atoms and the shapes of their modulation functions. The structure model for the commensurate structure was derived directly from the incommensurate structure. The structure analysis shows that the modulation leads to a change of the coordination of the Cr(2+) ions from distorted octahedra in the average structure towards a sixfold coordination in the form of a more regular octahedron and a fivefold coordination in the form of a square pyramid. The fivefold and sixfold coordination polyhedra alternate along the lattice direction a with the pattern 5-6-5 5-6-5 in the commensurate structure. In the incommensurate structure this pattern is occasionally disturbed by a 5-6-5-5 motif. Both structures can be described in superspace using the same superspace group and a similar modulated structure model. The same superspace model can also be used for the low-temperature phases of other metal diphosphates with the thortveitite stucture type at high temperature. Their low-temperature structures can be obtained from the superspace model by varying the q vector and the origin in the internal dimension t(0).