Direct calculations of material parameters for gradient plasticity

Length scale parameters introduced in gradient theories of plasticity are calculated in closed form with a continuum dislocation based theory. The similarity of the governing equations in both models for the evolution of plastic deformation of a constrained thin film makes it possible to identify parameters of the gradient plasticity theory with the dislocation based model. A one-to-one identification is not possible given that gradient plasticity does not account for individual dislocations. However, by comparing the mean plastic deformation across the film thickness we find that the length scale parameter, l, introduced in the gradient plasticity theory depends on the geometry as well as material constants.     

Numerical stability of the method of Brownian configuration fields

We investigate numerical aspects of the Brownian configuration fields method, and in particular its numerical stability as the Weissenberg number increases. Our results show the method to be immune to the type of instability leading to numerical blowup in the simulation of macroscopic models. We discuss this finding in the light of the stability criterion proposed in Fattal et al. [R. Fattal, R. Kupferman, Time-dependent simulation of viscoelastic flows at high Weissenberg using the log-conformation representation, J. Non Newtonian Fluid Mech. 126 (2005) 23–37].     

Electroanalysis with a single microbead of phosphate binding resin (FerrIX™) mounted in epoxy film

Commercial resin microbeads are widely applied in ion exchange and extraction. Here, a single anion-selective and phosphate binding resin microbead (FerrIX™) is mounted into an epoxy membrane and investigated by 4-electrode membrane voltammetry and membrane impedance spectroscopy. Anion transport properties are observed to dominate associated with three distinct potential domains: (I) a low bias ohmic potential domain (dominant at high electrolyte concentration), (II) a concentration polarisation potential domain, and (III) an over-limiting potential domain. Voltammetric responses show transient diffusion-migration features at higher scan rates and quasi-steady state features at lower scan rates. Inherent microbead conductivity is shown to be linked to two resistive elements, electrolyte concentration dependent and independent, in series. The effects of phosphate binding are revealed as transient pattern in impedance spectroscopy data. Preliminary data suggest phosphate concentration-dependent peak features in the imaginary impedance versus frequency plot due to phosphate binding into the microbead.

Graphical abstract

     

Mild,Redox-Neutral Formylation of Aryl Chlorides through the Photocatalytic Generation of Chlorine Radicals

We report a redox-neutral formylation of aryl chlorides that proceeds through selective 2-functionalization of 1,3-dioxolane through nickel and photoredox catalysis. This scalable benchtop approach provides a distinct advantage over traditional reductive carbonylation in that no carbon monoxide, pressurized gas, or stoichiometric reductant is employed. The mild conditions give unprecedented scope from abundant and complex aryl chloride starting materials.     

Weighted covering numbers of convex sets

In this paper we define the notions of weighted covering number and weighted separation number for convex sets, and compare them to the classical covering and separation numbers. This sheds new light on the equivalence of classical covering and separation. We also provide a formula for computing these numbers via a limit of classical covering numbers in higher dimensions.     

New In Vitro-In Silico Approach for the Prediction of In Vivo Performance of Drug Combinations

Pharmacokinetic (PK) studies improve the design of dosing regimens in preclinical and clinical settings. In complex diseases like cancer, single-agent approaches are often insufficient for an effective treatment, and drug combination therapies can be implemented. In this work, in silico PK models were developed based on in vitro assays results, with the goal of predicting the in vivo performance of drug combinations in the context of cancer therapy. Combinations of reference drugs for cancer treatment, gemcitabine and 5-fluorouracil (5-FU), and repurposed drugs itraconazole, verapamil or tacrine, were evaluated in vitro. Then, two-compartment PK models were developed based on the previous in vitro studies and on the PK profile reported in the literature for human patients. Considering the quantification parameter area under the dose-response-time curve (AUC_effect) for the combinations effect, itraconazole was the most effective in combination with either reference anticancer drugs. In addition, cell growth inhibition was itraconazole-dose dependent and an increase in effect was predicted if itraconazole administration was continued (24-h dosing interval). This work demonstrates that in silico methods and AUC_effect are powerful tools to study relationships between tissue drug concentration and the percentage of cell growth inhibition over time.     

Constraining the phase of Bs-Bs mixing

New physics contributions to Bs-Bs mixing can be parametrized by the size (rs2) and the phase (2thetas) of the total mixing amplitude relative to the standard model amplitude. The phase has so far been unconstrained. We first use the D0 measurement of the semileptonic CP asymmetry ASL to obtain the first constraint on the semileptonic CP asymmetry in Bs decays, ASLs=-0.008+/-0.011. Then we combine recent measurements by the CDF and D0 Collaborations--the mass difference (DeltaMs), the width difference (DeltaGammas), and ASL;s--to constrain 2thetas. The errors on DeltaGammas and ASL;s should still be reduced to have a sensitive probe of the phase, yet the central values are such that the regions around 2thetas approximately 3pi/2 and, in particular, 2thetas approximately pi/2, are disfavored.