A Stochastic Subgradient Method for Distributionally Robust Non-convex and Non-smooth Learning

Journal of Optimization Theory and Applications - We consider a distributionally robust formulation of stochastic optimization problems arising in statistical learning, where robustness is with...     

Properties of the Reactants and Their Interactions within and with the Enzyme Binding Cavity Determine Reaction Selectivities. The Case of Fe(II)/2-Oxoglutarate Dependent Enzymes

Fe(II)/2-oxoglutarate dependent dioxygenases (ODDs) share a double stranded beta helix (DSBH) fold and utilise a common reactive intermediate, ferryl species, to catalyse oxidative transformations of substrates. Despite the structural similarities, ODDs accept a variety of substrates and facilitate a wide range of reactions, that is hydroxylations, desaturations, (oxa)cyclisations and ring rearrangements. In this review we present and discuss the factors contributing to the observed (regio)selectivities of ODDs. They span from inherent properties of the reactants, that is, substrate molecule and iron cofactor, to the interactions between the substrate and the enzyme's binding cavity; the latter can counterbalance the effect of the former. Based on results of both experimental and computational studies dedicated to ODDs, we also line out the properties of the reactants which promote reaction outcomes other than the “default” hydroxylation. It turns out that the reaction selectivity depends on a delicate balance of interactions between the components of the investigated system.     

Optimisation of parameters of complete nickel electrodeposition from acidic aqueous electrolytic baths prepared by dissolution of metal powder

Journal of Solid State Electrochemistry - A methodology for electrochemical preparation of nickel layers intended to be used as targets for charged particle accelerators is proposed. The goal is to...     

Quantifying nonlinear dynamics of a spring pendulum with two springs in series: an analytical approach

Nonlinear Dynamics -     

Comparison of human blood serum DSC profiles in aqueous and PBS buffer solutions

Journal of Thermal Analysis and Calorimetry - The results of studies of physiological fluids by differential scanning calorimetry (DSC) for the purpose of diagnosis and monitoring of diseases are...     

A variational characterization of contact metric structures

Annals of Global Analysis and Geometry - On a manifold with a given nowhere vanishing vector field, we examine the squared $$L^2$$ -norm of the integrability tensor of the orthogonal complement of...     

Photostability study of agomelatine using UHPLC-DAD-MS/MS method. Kinetics,identification of the transformation products and in silico evaluation of toxicity

Photostability of an antidepressant agomelatine under the simulated solar radiation was studied. Quantitative and qualitative analysis of this process was performed with the use of UHPLC-DAD system coupled with a high resolution hybrid ESI-Q-TOF mass spectrometer. In contrast to the foregoing studies agomelatine turned out to be relatively photolabile compound. During the experiment six transformation products were formed, and their structures were elucidated on the basis of MS/MS fragmentation spectra. Four of these photoproducts were found to be a result of aromatic and aliphatic hydroxylation. Additionally, identified products were submitted to the in silico toxicity evaluation, which showed that some of them could be more mutagenic or toxic to rodents than the parent compound.     

Special chaotic systems

The European Physical Journal Special Topics - This topical issue collects contributions related to recent achievements and scientific progress in special chaotic systems. The individual papers...     

Asymptotic analysis of the nonsteady micropolar fluid flow through a curved pipe

ABSTRACT

We consider the nonsteady flow of a micropolar fluid in a thin (or long) curved pipe via rigorous asymptotic analysis. Germano's reference system is employed to describe the pipe's geometry. After writing the governing equations in curvilinear coordinates, we construct the asymptotic expansion up to a second order. Obtained in the explicit form, the asymptotic approximation clearly demonstrates the effects of pipe's distortion, micropolarity and the time derivative. A detailed study of the boundary layers in space is provided as well as the construction of the divergence correction. Finally, a rigorous justification of the proposed effective model is given by proving the error estimates.