Fabrication, characterization, and measurement of viscosity of α-Fe2O3-glycerol nanofluids

Magnetic nanofluids, ferrofluids, are a special category of smart nanomaterials, consisting of stable dispersion of magnetic nanoparticles in different fluids. In this study, magnetic nanoparticles of hematite, α-Fe₂O₃, were prepared by solvothermal method using Fe(NO₃)₃ as a starting material. The nanoparticles were characterized by X-ray diffraction (XRD) and transmission electronic microscope (TEM).To the best of our knowledge, this is the first research on the rheological properties of nanofluids of α-Fe₂O₃ nanoparticles and glycerol. The experimental results showed that the viscosity of α-Fe₂O₃-glycerol nanofluids increases with increasing the particle volume fraction and decreases with increasing temperature. Our results clearly showed that the α-Fe₂O₃-glycerol nanofluids are non-Newtonian shear-thinning and their shear viscosity depends strongly on temperature. The experimental data were compared with some theoretical models. The measured values of the effective viscosity of nanofluids are underestimated by the theoretical models.     

Dust ion-acoustic shock waves due to dust charge fluctuation in a superthermal dusty plasma

The nonlinear propagation of dust ion-acoustic (DIA) shock waves is studied in a charge varying dusty plasma with electrons having kappa velocity distribution. We use hot ions with equilibrium streaming speed and a fast superthermal electron charging current derived from orbit limited motion (OLM) theory. It is found that the presence of superthermal electrons does not only significantly modify the basic properties of shock waves, but also causes the existence of shock profile with only positive potential in such plasma with parameter ranges corresponding to Saturn?s rings. It is also shown that the strength and steepness of the shock waves decrease with increase of the size of dust grains and ion temperature.     

A new multiobjective allocator of capacitor banks and distributed generations using a new investigated differential evolution

This article has investigated a new multiobjective allocation of optimal sizing and sitting of distributed generation (DG) units and capacitor banks in simultaneous mode to improve reliability and reduce energy losses. The proposed method consists of four objectives, that is, cost of energy not supplied, system average interruption duration index, costs of energy loss and investment. A novel structure differential evolution has been suggested to solve this nonlinear complex problem and its results are compared with related values of genetic algorithm and simple differential evolutionary algorithm. In addition to the novel objective function, the other contribution of this article is proposing a new model for load and energy cost. Three types of DGs, that is, wind turbine, solar cell, and diesel generator have been used in placement process. To verify the comprehensiveness of the proposed function, three scenarios have been introduced: scenario i: first, placement of DGs, then capacitor banks, scenario ii: first, placement of capacitor banks, and then DGs, and scenario iii: simultaneous placement of DGs and capacitor banks. Simulations have been carried out on one part of practical distribution network in Metropolitan Tabriz in North West of Iran. The results of simulations have been discussed and analyzed using the five novel indices. The obtained simulation results using proposed function shows that the simultaneous placement of DGs and capacitor banks results in more reduction of the energy losses and increase improvements of reliability indices as well as voltage profile. © 2013 Wiley Periodicals, Inc. Complexity 19: 40–54, 2014     

Estimation of mutual information by the fuzzy histogram

Mutual Information (MI) is an important dependency measure between random variables, due to its tight connection with information theory. It has numerous applications, both in theory and practice. However, when employed in practice, it is often necessary to estimate the MI from available data. There are several methods to approximate the MI, but arguably one of the simplest and most widespread techniques is the histogram-based approach. This paper suggests the use of fuzzy partitioning for the histogram-based MI estimation. It uses a general form of fuzzy membership functions, which includes the class of crisp membership functions as a special case. It is accordingly shown that the average absolute error of the fuzzy-histogram method is less than that of the naïve histogram method. Moreover, the accuracy of our technique is comparable, and in some cases superior to the accuracy of the Kernel density estimation (KDE) method, which is one of the best MI estimation methods. Furthermore, the computational cost of our technique is significantly less than that of the KDE. The new estimation method is investigated from different aspects, such as average error, bias and variance. Moreover, we explore the usefulness of the fuzzy-histogram MI estimator in a real-world bioinformatics application. Our experiments show that, in contrast to the naïve histogram MI estimator, the fuzzy-histogram MI estimator is able to reveal all dependencies between the gene-expression data.     

A joinings classification and a special case of Raghunathan’s conjecture in positive characteristic (with an appendix by Kevin Wortman)

We prove the classification of joinings for maximal horospherical subgroups acting on homogeneous spaces without any restriction on the characteristic. Using the linearization technique, we deduce a special case of Raghunathan’s orbit closure conjecture. In the appendix, quasi-isometries of higher rank lattices in semisimple algebraic groups over fields of positive characteristic are characterized.     

Ethynyl and Propynylpyrene Inhibitors of Cytochrome P450

Abstract  

The single-crystal X-ray structures and in vivo activities of three aryl acetylenic inhibitors of cytochromes P450 1A1, 1A2, 2A6, and 2B1 have been determined and are reported herein. These are 1-ethynylpyrene, 1-propynylpyrene, and 4-propynylpyrene. To investigate electronic influences on the mechanism of enzyme inhibition, the experimental electron density distribution of 1-ethynylpyrene has been determined using low-temperature X-ray diffraction measurements, and the resulting net atomic charges compared with various theoretical calculations. A total of 82,390 reflections were measured with Mo Kα radiation to a (sinθ/λ)_max = 0.985 Å⁻¹. Averaging symmetry equivalent reflections yielded 8,889 unique reflections. A least squares refinement procedure was used in which multipole parameters were added to describe the distortions of the atomic electron distributions from spherical symmetry. A map of the model electron density distribution of 1-ethynylpyrene was obtained. Net atomic charges calculated from refined monopole population parameters yielded charges that showed that the terminal acetylenic carbon atom (C18) is more negative than the internal carbon (C17). Net atomic charges calculated by ab initio, density functional theory, and semi-empirical methods are consistent with this trend suggesting that the terminal acetylenic carbon atom is more likely to be the site of oxidation. This is consistent with the inhibition mechanism pathway that results in the formation of a reactive ketene intermediate. This is also consistent with assay results that determined that 1-ethynylpyrene acts as a mechanism-based inhibitor of P450s 1A1 and 1A2 and as a reversible inhibitor of P450 2B1. Crystallographic data: 1-ethynylpyrene, C₁₈H₁₀, P2₁/c, a = 14.571(2) Å, b = 3.9094(5) Å, c = 20.242(3) Å, β = 105.042(2)°, V = 1,113.5(2) Å³; 1-propynylpyrene, C₁₉H₁₂, P2₁/n, a = 8.970(2) Å, b = 10.136(1) Å, c = 14.080(3) Å, β = 99.77(2)°, V = 1,261.5(4) Å³; 4-propynylpyrene, C₁₉H₁₂, Pbca, a = 9.904(1) Å, b = 13.174(2) Å, c = 19.401(1) Å, V = 2,531.4(5) Å³.     

On presentations of integer polynomial points of simple groups over number fields

Let K be a number field and let A be its ring of integers. Let G be a connected, noncommutative, absolutely almost simple algebraic K-group. If the K-rank of G equals 2, then G(A[t]) is not finitely presented.     

Role of the n+1 amino acid residue on the deamidation of asparagine in pentapeptides

Deamidation plays an important role in biochemical phenomena such as aging. The role of the n + 1 residue on the deamidation of asparagine (asparagine being the nth residue) in three pentapeptide chains (GGNGG, GGNMG and GGNIG) has been analysed with hybrid computational tools. Potentials of mean force at 300 K were calculated from the MD/replica exchange simulations using weighted histogram analysis (WHAM) in explicit water. The snapshots were clustered taking into account the requirements of the plausible deamidation mechanisms, as such the tautomerisation of the asparagine side chain as initial step has been confirmed, based on the proximity of water to the deamidation site. The ultimate goal being to gain an insight on the peptide backbone N-H acidity, quantum mechanical calculations have been carried out. For this purpose, the distribution of Φ/Ψ, Φ₂/Ψ and end-to-end distances deduced from the WHAM diagrams have been considered and a total of 110 structures have been sampled. These neutral pentapeptides as well as their corresponding anions have been optimised (B3LYP/6-31++G(d,p)) in implicit water in order to gain an insight on the peptide backbone N-H acidity. In this study, we have shown that the open conformations of the neutrals and the anions, which display a β sheet like structure are well populated and their pK_as rank in the same order as the deamidating half-lives, that is the peptides that deaminate fastest can more readily access conformations that are more acidic.     

Palladium nanoparticles immobilized on sepiolite–cyclodextrin nanosponge hybrid: Efficient heterogeneous catalyst for ligand‐ and copper‐free C─C coupling reactions

A novel hybrid system composed of sepiolite clay and cyclodextrin nanosponge (CDNS) was prepared via reaction of Cl‐functionalized sepiolite with amine‐functionalized CDNS. CDNS–sepiolite was then applied for immobilization of Pd(0) nanoparticles. The resulting hybrid system, Pd@CDNS‐sepiolite, was characterized using various techniques and successfully used as an efficient and heterogeneous catalyst for ligand‐ and copper‐free Sonogashira and Heck coupling reactions under mild reaction conditions. Recycling experiments confirmed that Pd@CDNS‐sepiolite was recyclable and could be used for several consecutive reaction runs with slight Pd leaching and loss of catalytic activity.