Improving Thompson's Conjecture for Suzuki Groups

Let G be a finite group and cs(G) be the set of conjugacy class sizes of G. In 1987, J. G. Thompson conjectured that, if G is a finite group with Z(G) = 1 and M is a nonabelian simple group satisfying that cs(G) = cs(M), then G ? M. This conjecture has been proved for Suzuki groups in [5 Guiyun, C. (1996). On Thompson's conjecture. J. Algebra 185(1):184–193.[Crossref], [Web of Science ®] , [Google Scholar]]. In this article, we improve this result by proving that, if G is a finite group such that cs(G) = cs(Sz(q)), for q = 2^2m+1, then G ? Sz(q) × A, where A is abelian. We avoid using classification of finite simple groups in our proofs.     

Bregman operator splitting with variable stepsize for total variation image reconstruction

This paper develops a Bregman operator splitting algorithm with variable stepsize (BOSVS) for solving problems of the form $\min\{\phi(Bu) +1/2\|Au-f\|_{2}^{2}\}$ , where ? may be nonsmooth. The original Bregman Operator Splitting (BOS) algorithm employed a fixed stepsize, while BOSVS uses a line search to achieve better efficiency. These schemes are applicable to total variation (TV)-based image reconstruction. The stepsize rule starts with a Barzilai-Borwein (BB) step, and increases the nominal step until a termination condition is satisfied. The stepsize rule is related to the scheme used in SpaRSA (Sparse Reconstruction by Separable Approximation). Global convergence of the proposed BOSVS algorithm to a solution of the optimization problem is established. BOSVS is compared with other operator splitting schemes using partially parallel magnetic resonance image reconstruction problems. The experimental results indicate that the proposed BOSVS algorithm is more efficient than the BOS algorithm and another split Bregman Barzilai-Borwein algorithm known as SBB.     

Atomistic investigation of phase transition in solid argon induced by shock wave transmission

A molecular dynamics (MD) simulation is employed to study the phase transition process in argon induced by shock wave transmission. Deriving the relation between the shock and piston velocities, the theoretical equation of state for argon is presented. Also, argon equation of state is obtained by measuring the quantities directly from simulations to be able to detect the phase transitions. The phase transition is also detected by using argon phase diagram and free energy calculations. A comparison shows good agreement between the theoretical and MD results for the phase transitions. Based on these simulations, it is concluded that under a shock wave transmission with suitable energy, the solid argon experiences a phase transition from solid to liquid and another from liquid to supercritical fluid. By reflecting the shock wave back at the end of its passage, the whole argon may reach the supercritical state.     

Methoxyflavone Inhibitors of Cytochrome P450

Abstract  Cytochrome P450 enzymes are a superfamily of enzymes involved in the metabolism of endogenous compounds as well as xenobiotics. Due to the large number of reactions catalyzed by these enzymes and their importance in drug metabolism and carcinogenesis, they have been the focus of many studies over the years. Based on the knowledge that flavones are natural substrates of certain P450 enzymes (such as P450 1A2) involved in carcinogenesis, we have synthesized and studied a number of flavonoids as potential inhibitors of these enzymes. These compounds are structurally very similar to the natural flavone substrates of these enzymes but have methoxy substituents at various positions. Here we are reporting the synthesis, structural analysis, X-ray crystal structures, and preliminary inhibition studies of four methoxyflavones from this series. Crystallographic data: 2′-methoxyflavone, P-1, a = 7.2994(8) ?, b = 8.3322(7) ?, c = 10.8240(10) ?, α = 97.905(8)°, β = 92.779(10)°, γ = 111.105(8)°, V = 604.9(1) ?³; 3′-methoxyflavone, P2₁/n, a = 15.1313(16) ?, b = 3.9699(4) ?, c = 19.9454(16) ?, β = 91.673(8)°, V = 1197.6(2) ?³; 4′-methoxyflavone, P2₁/n, a = 16.451(12) ?, b = 3.881(1) ?, c = 19.529(16) ?, β = 106.65(1)°, V = 1195.1(4) ?³; 3′,4′-dimethoxyflavone, C2/c, a = 30.819(5) ?, b = 4.0857(7) ?, c = 26.100(3) ?, β = 124.21(1)°, V = 2717.6(7) ?³. Index Abstract  Methoxyflavone Inhibitors of Cytochrome P450 Michael McKendall, Tasha Smith, Kien Anh, Jamie Ellis, Terri McGee, Maryam Foroozesh, Naijue Zhu and Cheryl L. Klein Stevens* This paper is a report of the synthesis, structural analysis, X-ray crystal structures, and preliminary inhibition studies of 2′-methoxyflavone, 3′-methoxyflavone, 4′-methoxyflavone, and 3′,4′-dimethoxyflavone.

Convenient Synthesis of New Boric Acid Catalyzed 1,2,4‐Triazolopyridinone Derivatives and an Investigation of their Optical Properties

Syntheses of fused heterobicyclic systems containing 1,2,4‐triazolopyridinone moieties were accomplished by heterocyclization of 1,6‐diamino‐2‐oxo‐4‐phenyl‐1,2‐dihydropyridine‐3,5‐dicarbonitriles and ninhydrin in ethanol and in the presence of boric acid as a catalyst in 30 min at room temperature. All compounds have been screened for their photophysical properties. Results showed that all compounds exhibit near infrared emissions at 876 nm.     

Photocatalytic Performance of H6P2W18O62/TiO2 Nanocomposite Encapsulated into Beta Zeolite under UV Irradiation in the Degradation of Methyl Orange

In this work, neat and supported H₆P₂W₁₈O₆₂ into nanocage of β‐zeolite were synthesized. However, H₆P₂W₁₈O₆₂ into nanocage of β‐zeolite was synthesized via template synthesis method. In addition, TiO₂ was supported on H₆P₂W₁₈O₆₂/β zeolite by impregnation method. The obtained materials were characterized by XRD, FT‐IR, UV‐Vis, FESEM and EDS techniques. Also, W and Ti contents of the catalyst were determined by ICP and EDS technique. The results reveal that the photocatalyst performance depends on catalyst loading, pH effect, and methyl orange concentration. Photocatalytic degradation of methyl orange follows a pseudo‐first order kinetic. The chemical oxygen demand (COD) experimental proved mineralization of methyl orange. Another reason for degradation and mineralization of methyl orange is the absence of hydrazine at the end of reaction which is one of the photodecolorization products. The plausible mechanism for photodegradation of MO was proposed.     

Evolution of Oxygen–Metal Electron Transfer and Metal Electronic States During Manganese Oxide Catalyzed Water Oxidation Revealed with In Situ Soft X‐Ray Spectroscopy

Manganese oxide (MnO_x) electrocatalysts are examined herein by in situ soft X‐ray absorption spectroscopy (XAS) and resonant inelastic X‐ray scattering (RIXS) during the oxidation of water buffered by borate (pH 9.2) at potentials from 0.75 to 2.25 V vs. the reversible hydrogen electrode. Correlation of L‐edge XAS data with previous mechanistic studies indicates Mn^IV is the highest oxidation state involved in the catalytic mechanism. MnO_x is transformed into birnessite at 1.45 V and does not undergo further structural phase changes. At potentials beyond this transformation, RIXS spectra show progressive enhancement of charge transfer transitions from oxygen to manganese. Theoretical analysis of these data indicates increased hybridization of the Mn?O orbitals and withdrawal of electron density from the O ligand shell. In situ XAS experiments at the O K‐edge provide complementary evidence for such a transition. This step is crucial for the formation of O₂ from water.     

Tannic acid-coated zeolite Y nanoparticles as novel drug nanocarrier with controlled release behavior and anti-protozoan activity against Trichomonas gallinae

In this study, a pH-sensitive drug release system was prepared by zeolite Y nanoparticles and tannic acid. Zeolite Y nanoparticles were synthesized via hydrothermal synthesis of colloidal suspensions and after that, were coated with tannic acid. In order to evaluate its performance, metronidazole as an anti-protozoan drug was loaded into nanocarriers via immersing method to study the in-vitro drug delivery behavior. This nanocomposite carriers represented pH-sensitive behavior and had more and faster release in acidic medium. In-vitro effects of metronidazole-loaded nanoparticles was measured against Trichomonas gallinae trophozoites in Trypticase Yeast extract Maltose medium. The results suggested that metronidazole-loaded and tannic acid-modified zeolite Y nanoparticles could be a potential anti-trichomonal agent.     

Fabrication and characterization of low-cost freeze-gelated chitosan/collagen/hydroxyapatite hydrogel nanocomposite scaffold

In the present research, chitosan/collagen and chitosan/collagen/nano-hydroxyapatite (nHAP) hydrogel nanocomposites were prepared using naturally extracted chitosan from Persian Gulf shrimp wastes and rat tail-tendon collagen. Freeze-gelation method was used to prepare highly porous scaffolds. The morphology, chemical structure, water retainability, and thermal properties were characterized using SEM, FTIR, water content experiment, simultaneous thermal analysis (STA), respectively. Atomic force microscopy (AFM) nanoindentation and unconfined compression test were used to assess different feature of the mechanical properties of the hydrogels. The obtained results were so promising that the prepared nanocomposites can be considered as a potential candidate for cartilage tissue engineering.     

The first X-ray crystal structure of a mercury(II) complex with an SP(N)3-based ligand: Synthesis and crystal structure of SP(NC5H10)3 and [Hg{SP(NC5H10)3}Cl2]2

The synthesis, spectral characteristics (IR and NMR), elemental analysis and X-ray crystal structure of phosphorothioic triamide SP(NC₅H₁₀)₃ (1) and its dinuclear mercury(II) complex [Hg₂(μ-Cl)₂(Cl)₂{SP(NC₅H₁₀)₃}₂] (2) were investigated. A survey using the Cambridge Structural Database (CSD, version 5.38, May 2017) shows structures of coordination compounds of Au, Ag, Cd, Cu, Li, Mo, Ni, Pd, Te, Ti, Zn, and Zr with sulfur-donor SP(N)₃-based ligands; the complex 2 is the first example of a mercury complex with the SP(N)₃-based ligand studied by X-ray crystallography. Valence bond calculation was performed for the Hg–S bond in 2 and compared with the Hg–O bond in the only structure with a Cl₂Hg–OP(N)₃ structural motive in the CSD. The calculation confirms a more covalent nature of the Hg–S bond with respect to the Hg–O bond made by the EP(N)₃-based ligands (E?=?S, O). The supramolecular structures based on C–H···S?=?P contacts in 1 and C–H···S═P and C–H···Cl–Hg assemblies in 2 are discussed.