The polyoxometallate [(CH3)4N]2[Mo4O10(OCH3)4Cl2]

The crystal and molecular structure of bis(tetra­methyl­ammonium) di­chloro­tetra‐μ₂‐methoxo‐di‐μ₂‐oxo‐octo­oxo­tetra­molybdate(VI), (C₄H₁₂N)₂[Mo₄O₁₀(OCH₃)₄Cl₂], has been determined from X‐ray diffraction data. The crystallographically centrosymmetric anion is built up of four edge‐sharing octahedra, two MoO₆ and two MoO₅Cl.     

A multiscale approach to thermoplastic deformation

The paper applies a multiscale formulation to thermoplasticity problems. The plasticity model is based on the variationally consistent formulation at the micro level. It is suitable for problems involving large strains. The temperature field is calculated at the macro level and is assumed to be homogeneous at the micro level. The proposed formulation is implemented in the Abaqus software by means of user subroutines. User subroutines are introduced both at the macro and at the micro level. The consistent tangent operator is calculated by the numerical differentiation procedure. Implementation details are briefly addressed. Finally, the methodology is verified on a representative example and relevant results are presented and discussed. (© 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Synthesis and Bioactivity of Benzothiazaphosphepines and Relevant Phosphonates as Antioxidant/Antidiabetic Agents

An efficient approach to a new series of benzothiazaphosphepines and their derived phosphonates in good yields (64–75%) was reported. The strategy relied on the reactions of the easily available 2-arylmethylene-aminobenzenethiols with different types of Wadsworth–Horner–Emmons (WHE) reagents in dimethylformamide (DMF)/lithium hydride (LiH) solution. All new compounds were bioscreened and showed, in vitro, moderate to good antioxidant and antidiabetic activities.     

A solution-processable electron acceptor based on diketopyrrolopyrrole and naphthalenediimide motifs for organic solar cells

A novel, solution-processable small molecular electron acceptor (HP1) based on diketopyrrolopyrrole and naphthalenediimide fragments was designed and synthesized via a Stille coupling reaction, characterized by spectroscopic means, and exhibited excellent solubility and thermal stability. HP1 exerted strong and very broad absorption tailing into the near infra-red region, with appropriate energy levels matching with the archetypal electron donor, poly(3-hexylthiophene) (P3HT), and afforded 1.02% power conversion efficiency with a high open-circuit voltage (1.05 V) when tested in solution-processable bulk-heterojunction devices.     

Two‐Dimensional Boron Hydride Sheets: High Stability,Massless Dirac Fermions,and Excellent Mechanical Properties

Two‐dimensional (2D) boron sheets have been successfully synthesized in recent experiments, however, some important issues remain, including the dynamical instability, high energy, and the active surface of the sheets. In an attempt to stabilize 2D boron layers, we have used density functional theory and global minimum search with the particle‐swarm optimization method to predict four stable 2D boron hydride layers, namely the C2/m, Pbcm, Cmmm, and Pmmn sheets. The vibrational normal mode calculations reveal all these structures are dynamically stable, indicating potential for successful experimental synthesis. The calculated Young's modulus indicates a high mechanical strength for the C2/m and Pbcm phases. Most importantly, the C2/m, Pbcm, and Pmmn structures exhibit Dirac cones with massless Dirac fermions and the Fermi velocities for the Pbcm and Cmmm structures are even higher than that of graphene. The Cmmm phase is reported as the first discovery of Dirac ring material among boron‐based 2D structures. The unique electronic structure of the 2D boron hydride sheets makes them ideal for nanoelectronics applications.     

Appell Polynomials and Asymptotic Expansions

Some properties of the Appell polynomials are studied and analyzed. Various formulas and expressions for the Appell quotient are derived and connection with asymptotic expansions is presented.     

Generalized Bernoulli Polynomials and Numbers,Revisited

We describe with some new details the connection between generalized Bernoulli polynomials, Bernoulli polynomials and generalized Bernoulli numbers (Norlund polynomials). A new recursive and explicit formulae for these polynomials are derived.     

The Onset of Systemic Oxidative Stress Associated with the Accumulation of Lipid Peroxidation Product Acrolein in the Skin of Patients with Small-Vessel Vasculitis

Small-vessel vasculitis (SVV) is the inflammation of the vessel wall that can result in hemorrhage and/or ischemia. Among the histological findings in SVV are increased infiltrating neutrophils, which, due to their oxidative burst and myeloperoxidase activity, release excessive reactive oxygen species, triggering a chain reaction of lipid peroxidation and yielding reactive aldehydes such as acrolein. The implication of oxidative stress in the pathogenesis of SVV was studied, focusing on acrolein immunohistochemistry in the affected skin vessels and systemic stress response. Samples from SVV patients and healthy subjects were collected and analyzed for total serum peroxides, total antioxidant capacity, inflammatory and immunological parameters, as well as for the presence of acrolein–protein adducts in the skin tissue specimens. The obtained data showed that systemic redox homeostasis and iron metabolism are altered in SVV patients. Possible biomarkers in the evaluation of oxidative status, disease activity and prevalence were indicated. Furthermore, a strong correlation between the accumulation of acrolein–protein adducts in the skin and the progression of the disease was revealed. Thus, the results of this study demonstrate that SVV is not only associated with systemic oxidative stress but also with tissue-specific oxidative stress that promotes acrolein formation and protein modification correlating with the severity of cutaneous vasculitis.     

Constraints on penguins from hadronic sum rules

We have derived an upper bound on the K-π transition amplitude of the penguin operator using hadronic sum rules. Combined with an anomalous-commutator contribution, this sets lower and upper limits on the physical K → 2π amplitude of the penguin operator. Applying this result to CP-violating effects, we find that the Gilman-Hagelin lower limit on ?′/? decreases by an order of magnitude.