Radical Formation in the Gas‐Phase Ozonolysis of Deprotonated Cysteine

Although the deleterious effects of ozone on the human respiratory system are well‐known, many of the precise chemical mechanisms that both cause damage and afford protection in the pulmonary epithelial lining fluid are poorly understood. As a key first step to elucidating the intrinsic reactivity of ozone with proteins, its reactions with deprotonated cysteine [Cys?H]^? are examined in the gas phase. Reaction proceeds at near the collision limit to give a rich set of products including 1) sequential oxygen atom abstraction reactions to yield cysteine sulfenate, sulfinate and sulfonate anions, and significantly 2) sulfenate radical anions formed by ejection of a hydroperoxy radical. The free‐radical pathway occurs only when both thiol and carboxylate moieties are available, implicating electron‐transfer as a key step in this reaction. This novel and facile reaction is also observed in small cys‐containing peptides indicating a possible role for this chemistry in protein ozonolysis.     

Hydrogenated Graphene and Hydrogenated Silicene: Computational Insights

Density functional calculations are performed to study the energetic, structural, and electronic properties of graphene and silicene functionalized with hydrogen. Our calculations predict that H atoms bind much more strongly to silicene than to graphene. The adsorbed H atoms tend to cooperatively stabilize each other leading to a two‐dimensional nucleation and growth mechanism. The different structural and electronic modifications induced by H in fully functionalized graphene and silicene (known as graphane and silicane) are also explained. Finally, the electronic properties of defective graphane with multiple hydrogen vacancies are investigated. Engineering the vacancies in graphane offers a way to modify the electronic properties of this material.     

3D Study of the Morphology and Dynamics of Zeolite Nucleation

The principle aspects and constraints of the dynamics and kinetics of zeolite nucleation in hydrogel systems are analyzed on the basis of a model Na‐rich aluminosilicate system. A detailed time‐series EMT‐type zeolite crystallization study in the model hydrogel system was performed to elucidate the topological and temporal aspects of zeolite nucleation. A comprehensive set of analytical tools and methods was employed to analyze the gel evolution and complement the primary methods of transmission electron microscopy (TEM) and nuclear magnetic resonance (NMR) spectroscopy. TEM tomography reveals that the initial gel particles exhibit a core–shell structure. Zeolite nucleation is topologically limited to this shell structure and the kinetics of nucleation is controlled by the shell integrity. The induction period extends to the moment when the shell is consumed and the bulk solution can react with the core of the gel particles. These new findings, in particular the importance of the gel particle shell in zeolite nucleation, can be used to control the growth process and properties of zeolites formed in hydrogels.     

Value sharing problems for differential and difference polynomials of meromorphic functions in a non-Archimedean field

In this paper we discuss the uniqueness problem for differential and difference polynomials of the form (f ^nm (z)f ^nd (qz + c))^(k) for meromorphic functions in a non-Archimedean field.     

Splitting extragradient-like algorithms for strongly pseudomonotone equilibrium problems

In this paper, two splitting extragradient-like algorithms for solving strongly pseudomonotone equilibrium problems given by a sum of two bifunctions are proposed. The convergence of the proposed methods is analyzed and the R-linear rate of convergence under suitable assumptions on bifunctions is established. Moreover, a noisy data case, when a part of the bifunction is contaminated by errors, is studied. Finally, some numerical experiments are given to demonstrate the efficiency of our algorithms.     

On functional equations for meromorphic functions and applications

Donovan’s conjecture states that there exist only finitely many Morita equivalence classes of p-blocks with a given defect. This conjecture was shown by Radha Kessar to be equivalent to two other conjectures, one of which is that the basic algebras of p-blocks with a given defect can all be defined over a single finite field. We shall show that this latter conjecture is equivalent to the seemingly stronger statement that all p-blocks with a given defect can be defined over a single finite field.     

Existence and Exponential Decay of Solutions for a Wave Equation with Integral Nonlocal Boundary Conditions of Memory Type

In this paper, we consider a wave equation with integral nonlocal boundary conditions of memory type. First, we establish two local existence theorems by using Faedo–Galerkin method and standard arguments of density. Next, we give a su?cient condition to guarantee the global existence and exponential decay of weak solutions. Finally, we present numerical results.     

Bounds on the Elastic Moduli of Completely Random Two-Dimensional Polycrystals

Explicit bounds on the elastic moduli of completely random planar polycrystals, the shape and crystalline orientations of the constituent grains of which are uncorrelated, are derived and calculated for a number of crystals of general two-dimensional anisotropy. The bounds on the elastic two-dimensional bulk modulus happen to coincide with the simple third order (in anisotropy contrast) bounds for the subclass of idealistic circular cell polycrystals. The bounds on the shear modulus are close to the much simpler bounds for circular cell polycrystals, which approximate aggregates of equiaxed grains.