Clique-cutsets beyond chordal graphs

Truemper configurations (thetas, pyramids, prisms, and wheels) have played an important role in the study of complex hereditary graph classes (eg, the class of perfect graphs and the class of even-hole-free graphs), appearing both as excluded configurations, and as configurations around which graphs can be decomposed. In this paper, we study the structure of graphs that contain (as induced subgraphs) no Truemper configurations other than (possibly) universal wheels and twin wheels. We also study several subclasses of this class. We use our structural results to analyze the complexity of the recognition, maximum weight clique, maximum weight stable set, and optimal vertex coloring problems for these classes. Furthermore, we obtain polynomial -bounding functions for these classes.     

Law of the iterated logarithm for random graphs

A milestone in probability theory is the law of the iterated logarithm (LIL), proved by Khinchin and independently by Kolmogorov in the 1920s, which asserts that for iid random variables with mean 0 and variance 1 In this paper we prove that LIL holds for various functionals of random graphs and hypergraphs models. We first prove LIL for the number of copies of a fixed subgraph H. Two harder results concern the number of global objects: perfect matchings and Hamiltonian cycles. The main new ingredient in these results is a large deviation bound, which may be of independent interest. For random k‐uniform hypergraphs, we obtain the Central Limit Theorem and LIL for the number of Hamilton cycles.     

LIOUVILLE RESULTS FOR STABLE SOLUTIONS OF QUASILINEAR EQUATIONS WITH WEIGHTS

This paper is devoted to the quasilinear equation ■where p 2,Ω is a(bounded or unbounded) domain of R~N,w_1,w_2 are nonnegative continuous functions and f is an increasing function. We establish a Liouville type theorem for nontrivial stable solutions of the equation under some mild assumptions on Ω,w_1, w_2 and f, which extends and unifies several results on this topic.     

Determination of Sulfide by Hematoxylin Multiwalled Carbon Nanotubes Modified Carbon Paste Electrode

This study investigates a new approach for the amperometric determination of sulfide using a hematoxylin multiwalled carbon nanotubes modified carbon paste electrode (HM‐MWCNTs/CPE). The experimental results show that HM‐MWCNTs/CPE significantly enhances the electrocatalytic activity towards sulfide oxidation. Cyclic voltammetric studies show that the peak potential of sulfide shifted from +400 mV at unmodified CPE to +175 mV at HM‐MWCNTs/CPE. The currents obtained from amperometric measurements at optimum conditions were linearly correlated with the concentration of sulfide. The calibration curve was obtained for sulfide concentrations in the range of 0.5–150×10^?6 mol L^?1. The detection limit was found to be 0.2×10^?6 mol L^?1 for the amperometric method. The proposed method was successfully applied to a river water sample in Pardubice, Czech Republic.     

New Reactions of N‐tert‐Butylimines; Formation of N‐Heterocycles by Methyl Radical Elimination on Flash Vacuum Thermolysis of N‐Benzylidene‐ and N‐(2‐Pyridylmethylidene)‐tert‐butylamines

Thermal reactions of N‐benzylidene‐ and N‐(2‐pyridylmethylidene)‐tert‐butylamines ( 5 and 13 ) under FVT conditions have been investigated. Unexpectedly, at 800 °C, compound 5 yields 1,2‐dimethylindole and 3‐methylisoquinoline. In the reaction of 13 at 800 °C, 3‐methylimidazo[1,5‐a]pyridine was obtained as the major product. Mechanisms of these reactions have been proposed on the basis of DFT calculations. Furthermore, UV‐photoelectron spectroscopy combined with FVT has been applied for direct monitoring and characterization of the thermolysis products in situ.     

Extremal loading of soft fibrous tissues: multi-scale mechanics and constitutive modeling

In the current contribution, we present a multi-scale constitutive model capturing macroscopic inelastic effects (like stress softening and permanent set) in soft tissues under cyclic loading. Soft biological tissues can be described as a biological composite material. The extracellular matrix is hereby reinforced by collagen fibers which themself are an assembly of collagen fibrils embedded in a proteoglycan (PG) rich matrix. Micro-damage induced by cyclic loading is treated by an interaction scenario between the fibrils and the PGs. At the low strain regime PGs promote sliding between fibrils [1] which leads to the yielding of statistical distributed overlapping segments. The breakage of the PG-bridges is defined by a decreasing PG-density. Due to the accumulated damage of the PG connections at high tissue strains, the strains at the fibril level increases. This finally drives the over-stretching of the fibrils, which is associated with a permanent rupture of the hydrogen bonds inside of the tropocollagen molecules [2]. The so obtained model is in line with recent experimental findings [1, 2] and was additionally validated against experimental data available in literature. (© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

synthesis and properties of β-brominated metal complexes of meso-triphenylcorrole

Spectral properties and chemical stability of Mn(III), Mn(IV), Fe(III), Fe(IV), and Cu(III) complexes of β-octabromotriphenylcorrole [(β-Br)₈(ms-Ph)₃Cor], synthesized from β-unsubstituted compounds by their reaction with molecular bromine, were studied. Cyclic voltammetry, electron microscopy, and X-ray spectral microanalysis were used to obtain electrochemical characteristics of metal corroles M(β-Br)₈(ms-Ph)₃Cor and gain insight into the surface texture of active catalysts on the basis of metal corroles. The electron-acceptor β-bromine substitution in the MCor macrocycle shifts the equilibrium in electron-donor solvents to lower oxidation states of the metals and also stabilizes manganese and destabilizes copper complexes in the protondonor medium HOAc-H₂SO₄. The electrocatalytic activity of the complexes in the reduction of molecular oxygen depends on the nature of the ligand and increases in the order Mn ≤ Cu ? Fe in the case of β-octabrominated macrocycles. The character of distribution of active centers on the surface of the catalysts was established for the first time.     

Optimization of microfluidization for the homogeneous distribution of cellulose nanocrystals (CNCs) in biopolymeric matrix

Microfluidization, which is a high-pressure homogenization technique, was used to develop highly dispersed cellulose nanocrystal (CNC) reinforced chitosan based nanocomposite films. A three factor central composite design with five levels was designed to systematically optimize the microfluidization process. The three factors were the CNC content, the microfluidization pressure and the number of microfluidization cycles. Response surface methodology was used to obtain relationship between the mechanical properties of the nanocomposite films and the factors. Polynomial equations were generated based on the regression analysis of the factors and the predicted properties of the nanocomposite films were in good agreement with the experimental results. Microfluidization effectively reduced the CNC–chitosan aggregates and improved the mechanical properties of the nanocomposite films. Microscopic analysis of the microfluidized nanocomposite films revealed a 10–15 times reduction in the size of the aggregates compared to the non-microfluidized CNC/chitosan films and an increase in the root mean square surface roughness (Rq).     

Oversampling Free Energy Perturbation Simulation in Determination of the Ligand-Binding Free Energy

Determination of the ligand-binding affinity is an extremely interesting problem. Normally, the free energy perturbation (FEP) method provides an appropriate result. However, it is of great interest to improve the accuracy and precision of this method. In this context, temperature replica exchange molecular dynamics implementation of the FEP computational approach, which we call replica exchange free energy perturbation (REP) was proposed. In particular, during REP simulations, the system can easily escape from being trapped in local minima by exchanging configurations with high temperatures, resulting in significant improvement in the accuracy and precision of protein–ligand binding affinity calculations. The distribution of the decoupling free energy was enlarged, and its mean values were decreased. This results in changes in the magnitude of the calculated binding free energies as well as in alteration in the binding mechanism. Moreover, the REP correlation coefficient with respect to experiment ( R^REP = 0.85 ± 0.15 ) is significantly boosted in comparison with the FEP one ( R^FEP = 0.64 ± 0.30 ). Furthermore, the root-mean-square error (RMSE) of REP is also smaller than FEP, RMSE^REP = 4.28 ± 0.69 versus RMSE^FEP = 5.80 ± 1.11 kcal/mol, respectively. © 2019 Wiley Periodicals, Inc.