Synthesis of novel tetra-substituted benzimidazole compounds containing certain heterostructures with antioxidant and anti-urease activities

A new series of 5,6-dimethyl-2-phenyl-1H-benzimidazole derivatives was synthesized. The antioxidant activities of the synthesized compounds were determined according to the cupric reducing antioxidant capacity (CUPRAC), ABTS, and DPPH assays. Many of the target compounds showed good antioxidant activity. Among these compounds, it has been determined that the carbothioamide and 1,2,4-triazole derivatives had a very good antioxidant capacity. Also, all compounds were screened for in vitro inhibitory activity against Jack bean urease. Among the synthesized molecules, the starting compound, acetate, and acetohydrazide derivatives (with IC₅₀ values 12.02, 11.40, and 8.04 μg/mL, respectively) had a higher inhibitory effect on urease and exhibited a lower IC₅₀ values than acetohydroxamic acid (IC₅₀: 20.50 μg/mL) and thiourea (IC₅₀: 14.04 μg/mL) as a reference inhibitors.     

Synthesis and Assembly of Zinc Oxide Microcrystals by a Low-Temperature Dissolution–Reprecipitation Process: Lessons Learned About Twin Formation in Heterogeneous Reactions

Cobalt-doped zinc oxide single crystals with the shape of hexagonal platelets were synthesized by thermohydrolysis of zinc acetate, cobalt acetate, and hexamethylenetetramine (HMTA) in mixtures of ethanol and water. The mineralization proceeds by a low-temperature dissolution–reprecipitation process from the liquid phase by the formation of basic cobalt zinc salts as intermediates. The crystal shape as well as twin formation of the resulting oxide phase can be influenced by careful choice of the solvent mixture and the amount of doping. An understanding of the course of the reaction was achieved by comprehensive employment of analytical techniques (i.e., SEM, XRD, IR) including an in-depth HRTEM study of precipitates from various reaction stages. In addition, EPR as well as UV/Vis spectroscopic measurements provide information about the insertion of the cobalt dopant into the zincite lattice. The Langmuir–Blodgett (LB) technique is shown to be suitable for depositing coatings of the platelets on glass substrates functionalized with polyelectrolyte multilayers and hence is applied for the formation of monolayers containing domains with ordered tessellation. No major differences are found between deposits on substrates with anionic or cationic surface modification. The adherence to the substrates is sufficient to determine the absolute orientation of the deposited polar single crystals by piezoresponse force microscopy (PFM) and Kelvin probe force microscopy (KPFM) studies.     

Nuclear-Electron Overhauser Effect in MC800 Liquid Asphalt Solutions

Experimental results on the extrapolated ultimate enhancement factors of o-, m-, and p-xylene protons at 1.53 mT are obtained for MC800 asphalt solutions. The ultimate enhancement factors are found such as ?26.9, ?25.7, and ?11.7 for o-, m-, and p-xylene, respectively. These results show that the solvent proton Overhauser effect cannot reach the extrapolated enhancement of ?330 in the extreme narrowing case because of occurrence of small scalar interactions in addition to the dipole–dipole interactions between solvent protons and asphalt electrons. The ortho, meta, and para positions of the –CH₃ group change the nature of the interactions. The nuclear magnetic resonance (NMR) signal enhancements exhibit a sensitive behavior depending on the chemical environment differing from isomer to isomer. The solvation or association of asphalt in xylene isomers at room temperature is revealed. Quantum chemical calculations for the xylene isomers with the electronic and optical properties; absorption wavelengths, excitation energy, atomic charges, dipole moment and frontier molecular orbital energies, molecular electrostatic potential; are carried out using the density functional theory (DFT) method (B3LYP) with the 6-311G(d,p) basis set by the standard Gaussian 09 software package program. The relative importance of scalar and translational dipolar interaction parameters determined in dynamic nuclear polarization experiments is explained by the electronic structure of HOMO–LUMO of the xylene isomers.     

The <Emphasis Type="Italic">recombination activation gene 1</Emphasis> (<Emphasis Type="Italic">Rag1</Emphasis>) is expressed in a subset of zebrafish olfactory neurons but is not essential for axon targeting or amino acid detection

Background  

Rag1 (Recombination activation gene-1) mediates genomic rearrangement and is essential for adaptive immunity in vertebrates. This gene is also expressed in the olfactory epithelium, but its function there is unknown.     

Positive almost periodic solutions for a delay logarithmic population model

By utilizing the continuation theorem of coincidence degree theory, we shall prove that a delay logarithmic population model has at least one positive almost periodic solution. An example is provided to illustrate the effectiveness of the proposed result.     

Building an Iron Chromophore Incorporating Prussian Blue Analogue for Photoelectrochemical Water Oxidation

The replacement of traditional ruthenium-based photosensitizers with low-cost and abundant iron analogs is a key step for the advancement of scalable and sustainable dye-sensitized water splitting cells. In this proof-of-concept study, a pyridinium ligand coordinated pentacyanoferrate(II) chromophore is used to construct a cyanide-based CoFe extended bulk framework, in which the iron photosensitizer units are connected to cobalt water oxidation catalytic sites through cyanide linkers. The iron-sensitized photoanode exhibits exceptional stability for at least 5 h at pH 7 and features its photosensitizing ability with an incident photon-to-current conversion capacity up to 500 nm with nanosecond scale excited state lifetime. Ultrafast transient absorption and computational studies reveal that iron and cobalt sites mutually support each other for charge separation via short bridging cyanide groups and for injection to the semiconductor in our proof-of-concept photoelectrochemical device. The reorganization of the excited states due to the mixing of electronic states of metal-based orbitals subsequently tailor the electron transfer cascade during the photoelectrochemical process. This breakthrough in chromophore-catalyst assemblies will spark interest in dye-sensitization with robust bulk systems for photoconversion applications.     

Radiation effect studies in single crystal of Trifluoroacetyl-α-Aminoisobutyric acid

In this study, electron paramagnetic resonance of γ-irradiated single crystals of N-Trifluoroacetyl-α-amino isobutyric acid (F₃Ac-Aib-OH) was investigated at room temperature and analyzed for different orientations of the crystal in the magnetic field. The paramagnetic species in N-Trifluoroacetyl-α-aminoisobutyric acid was attributed to the ?F₂-R radical (R= CONHC(CH₃)COOH). Hyperfine coupling constants and g value were also determined. In addition, the single crystal of F₃Ac-Aib-OH was UV-irradiated and paramagnetic species formed was studied at room temperature. The effects of gamma irradiation on fluoroamino acid and stability were discussed.     

Supplier diversification under binomial yield

We consider supplier diversification in an EOQ type inventory setting with multiple suppliers and binomial yields. We characterize the optimal policy for the model and show that, in this case, it does not pay to diversify, in contrast to previous results in the random yield literature.     

Synthesis of water-soluble Mo(0) tetracarbonyl complexes containing nitrogen donor ligands and polymerization of methyl methacrylate

Water-soluble Mo(0) tetracarbonyl complexes containing a α-diimine ligand have been prepared. All the complexes were characterized by elemental, LC-MS (APCI), FT-IR, ¹H-NMR, and ¹³C-NMR spectroscopy. The pH dependent phase transfer of these complexes was investigated. This pH dependent phase transfer was accomplished over 10 times with no evidence of complex decomposition. Their catalytic activities on methyl methacrylate polymerization were determined.     

On the Possible Automorphism Groups of a Steiner Quintuple System of Order 21

A Steiner system is called a Steiner quintuple systems of order v. The smallest order for which the existence, or otherwise, of a Steiner quintuple system is unknown is 21. In this article, we prove that, if an S(4, 5, 21) exists, the order of its full automorphism group is 1, 2, 3, 4, 5, 6, 7, or 10.