Multiscale dynamics in communities of phase oscillators

We investigate the dynamics of systems of many coupled phase oscillators with heterogeneous frequencies. We suppose that the oscillators occur in M groups. Each oscillator is connected to other oscillators in its group with "attractive" coupling, such that the coupling promotes synchronization within the group. The coupling between oscillators in different groups is "repulsive," i.e., their oscillation phases repel. To address this problem, we reduce the governing equations to a lower-dimensional form via the ansatz of Ott and Antonsen, Chaos 18, 037113 (2008). We first consider the symmetric case where all group parameters are the same, and the attractive and repulsive coupling are also the same for each of the M groups. We find a manifold L of neutrally stable equilibria, and we show that all other equilibria are unstable. For M?≥?3, L has dimension M?-?2, and for M?=?2, it has dimension 1. To address the general asymmetric case, we then introduce small deviations from symmetry in the group and coupling parameters. Doing a slow/fast timescale analysis, we obtain slow time evolution equations for the motion of the M groups on the manifold L. We use these equations to study the dynamics of the groups and compare the results with numerical simulations.     

Topology and material orientation optimization based on evolution equations

Many modern high-performance materials have inherent anisotropic elastic properties and its local material orientation can be considered to be an additional design variable for the topology optimization [1–3]. We extend our previous model for topology optimization with variational controlled growth [4–6] for linear elastic anisotropic materials, for which the material orientation is introduced as an additional design variable. We solve the optimization problem purely with the principles of thermodynamics by minimizing the Gibbs energy. (© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Tailored Solution-Based N-heterotriangulene Thin Films: Unravelling the Self-Assembly

The ability of a series of bridged triarylamines, so-called N-heterotriangulenes, to form multilayer-type 2D-extended films via a solution-based processing method was examined using complementary microscopic techniques. We found that the long-range order, crystallinity, and layer thickness decisively depend on the nature of the substituents attached to the polycyclic backbone. Owing to their flat core unit, compounds exhibiting a carbonyl unit at the bridge position provide a superior building block as compared to thioketone-bridged derivatives. In addition, nature and length of the peripheral substituents affect the orientation of the aromatic core unit within highly crystalline films. Hence, our results stress the significance of a suitable molecular framework and provide deeper understanding of structure formation in 2D-confined surroundings for such compounds.     

Easy-To-Access Quinolone Derivatives Exhibiting Antibacterial and Anti-Parasitic Activities

The cell wall of Mycobacterium tuberculosis (Mtb) has a unique structural organisation, comprising a high lipid content mixed with polysaccharides. This makes cell wall a formidable barrier impermeable to hydrophilic agents. In addition, during host infection, Mtb resides in macrophages within avascular necrotic granulomas and cavities, which shield the bacterium from the action of most antibiotics. To overcome these protective barriers, a new class of anti-TB agents exhibiting lipophilic character have been recommended by various reports in literature. Herein, a series of lipophilic heterocyclic quinolone compounds was synthesised and evaluated in vitro against pMSp12::GFP strain of Mtb, two protozoan parasites (Plasmodium falciparum and Trypanosoma brucei brucei) and against ESKAPE pathogens. The resultant compounds exhibited varied anti-Mtb activity with MIC₉₀ values in the range of 0.24–31 µM. Cross-screening against P. falciparum and T.b. brucei, identified several compounds with antiprotozoal activities in the range of 0.4–20 µM. Compounds were generally inactive against ESKAPE pathogens, with only compounds 8c, 8g and 13 exhibiting moderate to poor activity against S. aureus and A. baumannii.     

Boron trifluoride facilitated transesterification of dioxaborolanes

The direct transesterification of dioxaborolanes (alkane-1,2-diol based boronate esters) was explored. Using BF₃·OEt₂, alkane-1,2-diol based mono- and bis-boronate esters (i.e., pinacol and ethylene glycol) have been converted quantitatively to either benzene-1,2-diol or alkane-1,3-diol based boronate esters. In the case of pinacol esters, esterification is facilitated by the accompanying pinacol rearrangement, thus shifting the reaction equilibrium.     

An electronic Venturi-based pressure microregulator

Microfluidic systems often use pressure-driven flow to induce fluidic motion, but control of pumps and valves can necessitate numerous external connections or an extensive external control infrastructure. Here, we describe an electronically controlled pressure microregulator that can output pressures both greater and less than atmospheric pressure over a range of 2 kPa from a single pressurized air input of 110 kPa. Multiple independently controlled microregulators integrated in one device can potentially share the same air input. The microregulator operates by using embedded resistive heaters to vary the temperature of a gas flowing through a converging-diverging Venturi nozzle between 25 degrees C and 85 degrees C with a resolution of 33 Pa degrees C(-1). We established the switching speed of the microregulator by accurately moving 1 microL droplets of water in a microchannel via pneumatic propulsion. Droplet deceleration from approximately 1 cm s(-1) to zero velocity required less than 0.8 s. The component is readily integrable into most device designs containing fluidic channels and electronics without introducing additional fabrication complexity.     

Nickel-catalyzed arylative substitution of homoallylic alcohols

Direct coupling of unactivated alcohols remains a challenge in synthetic chemistry. Current approaches to cross-coupling of alcohol-derived electrophiles often involve activated alcohols such as tosylates or carbonates. We report the direct arylative substitution of homoallylic alcohols catalyzed by a nickel-bisphosphine complex as a facile method to generate allylic arenes. These reactions proceed via formation of an allylic alcohol intermediate. Subsequent allylic substitution with arylboroxine nucleophiles enables the formation of a variety of allylic arenes. The presence of p-methoxyphenylboronic acid is crucial to activate the allylic alcohol to achieve high product yields.

Arylative substitutions of homoallylic alcohols with arylboron nucleophiles demonstrate the utility of unactivated alcohols as coupling partners in transition metal-catalyzed cross-coupling chemistry.