Bis-amino methylation for the synthesis of spiro-fused piperidines using iron(III) trifluroacetate in aqueous micellar medium

An environmentally benign, multicomponent integrated chemical process has been developed for the synthesis of 3,5-dispirosubstituted piperidines by cyclo-condensation reaction of amines, formaldehyde, and dimedone using iron(III) trifluroacetate [Fe(F₃CCO₂)₃] Lewis acid in aqueous micellar medium at ambient temperature (25–30 °C). The heterogeneous solid acid catalyst conveniently promotes this double amino methylation reaction in which six molecules condense in one pot to form six new covalent bonds. The synthesized 3,5-dispirosubstituted piperidines have been screened for their in vitro antibacterial activity using agar well method. Many of these compounds showed satisfactory antibacterial activity as compared to standard drugs against all the bacteria tested.     

Design of a tripartite network for the prediction of drug targets

Drug-target networks have aided in many target prediction studies aiming at drug repurposing or the analysis of side effects. Conventional drug-target networks are bipartite. They contain two different types of nodes representing drugs and targets, respectively, and edges indicating pairwise drug-target interactions. In this work, we introduce a tripartite network consisting of drugs, other bioactive compounds, and targets from different sources. On the basis of analog relationships captured in the network and so-called neighbor targets of drugs, new drug targets can be inferred. The tripartite network was found to have a stable structure and simulated network growth was accompanied by a steady increase in assortativity, reflecting increasing correlation between degrees of connected nodes leading to even network connectivity. Local drug environments in the tripartite network typically contained neighbor targets and revealed interesting drug-compound-target relationships for further analysis. Candidate targets were prioritized. The tripartite network design extends standard drug-target networks and provides additional opportunities for drug target prediction.     

Uniqueness for Quasi-variational Inequalities

This paper presents a uniqueness result for a quasi-variational inequality QVI(1) that, in contrast to existing results, does not require the projection mapping on a variable closed and convex set to be a contraction. Our basic idea is to find a simple QVI(0), for example a variational inequality, for which we can show the existence of a unique solution. Further, exploiting some nonsingularity condition, we will guarantee the existence of a continuous solution path from the unique solution of QVI(0) to a solution of QVI(1). Finally, we can show that the existence of a second different solution of QVI(1) contradicts the nonsingularity condition. Moreover, we present some matrix-based sufficient conditions for our nonsingularity assumption, and we discuss these assumptions in the context of generalized Nash equilibrium problems with quadratic cost and affine linear constraint functions.     

Complete Duality for Quasiconvex and Convex Set-Valued Functions

This paper provides a unique dual representation of set-valued lower semi-continuous quasiconvex and convex functions. The results are based on a duality result for increasing set-valued functions.     

Acetone and perdeuterated acetone in UV-IMS

Measuring a mixture of acetone and perdeuterated acetone (acetone-d6) with an ultra-high resolution drift time ion mobility spectrometer (resolving power of R_p?=?235) and ultraviolet ionization (10.6 eV) at ambient pressure reveals three separated peaks. Two of the peaks can easily be associated with acetone and perdeuterated acetone. In a former publication several findings indicated an exchange of a methyl group and the formation of a H₃COCD₃ related peak. In this work the formed ion species were analyzed with a high resolution drift time ion mobility time of flight mass spectrometer. The mass spectra clearly show the formation of three proton-bound dimer peaks whereas the peak between acetone and acetone-d6 is a proton-bound mixed dimer consisting of one acetone and one acetone-d6 molecule.     

The dynamics of vortex sources in a deformation flow

This paper is concerned with the dynamics of vortex sources in a deformation flow. The case of two vortex sources is shown to be integrable by quadratures. In addition, the relative equilibria (of the reduced system) are examined in detail and it is shown that in this case the trajectory of vortex sources is an ellipse.