Direct Numerical Simulation of Statistically Stationary One- and Two-Phase Turbulent Combustion: A Turbulent Injection Procedure

A new turbulent injection procedure dedicated to fully compressible direct numerical simulation (DNS) or large eddy simulation (LES) solvers is proposed. To avoid the appearance of spurious acoustic waves, this method is based on an accurate tracking of the turbulent structures crossing the boundary at the inlet of the domain. A finite difference DNS solver has been coupled with a spectral simulation in which a statistically stationary homogeneous turbulence evolves to provide fluctuating boundary conditions.A new turbulence forcing method, dedicated to spectral solvers, has been developed as well to control the major properties of the injected flow (turbulent kinetic energy, dissipation rate and integral length scale). One-dimensional Navier–Stokes characteristic boundary conditions extended to non-stationary flows are coupled with the injection procedure to evaluate is potential in four various configurations: spatially decaying turbulence, dispersion of vaporizing sprays, propagation of one- and two-phase V-shape turbulent flames.     

α‐Peptide–Oligourea Chimeras: Stabilization of Short α‐Helices by Non‐Peptide Helical Foldamers

Short α‐peptides with less than 10 residues generally display a low propensity to nucleate stable helical conformations. While various strategies to stabilize peptide helices have been previously reported, the ability of non‐peptide helical foldamers to stabilize α‐helices when fused to short α‐peptide segments has not been investigated. Towards this end, structural investigations into a series of chimeric oligomers obtained by joining aliphatic oligoureas to the C‐ or N‐termini of α‐peptides are described. All chimeras were found to be fully helical, with as few as 2 (or 3) urea units sufficient to propagate an α‐helical conformation in the fused peptide segment. The remarkable compatibility of α‐peptides with oligoureas described here, along with the simplicity of the approach, highlights the potential of interfacing natural and non‐peptide backbones as a means to further control the behavior of α‐peptides.     

Direct functionalisation of group 10 N-heterocyclic carbene complexes for diversity enhancement

The synthesis of alkyne-substituted N-heterocyclic carbene complexes of Pd(II) and Pt(II) is reported. Catalyzed 1,3-dipolar cycloaddition with azides has been applied as a modular way of functionalisation of group 10 transition metal NHC complexes to generate potentially new metallodrugs.     

A study of π andK production in proton-uranium and oxygen-uranium interactions at 22 GeV/A using decay muons

The like-sign dimuons copiously recorded in the NA 38 experiment both inp-U and O?U reactions at 200 GeV/nucleon are interpreted as resulting from decays of π andK mesons in comparable proportions. The ++/?? ratio is large (?1.7) and ascribed to theK ⁺ being more copiously produced than theK ^?. Both the average transverse momentum and the ++/?? ratio are comparable forp-U and O?U reactions, and both increase only slightly with the transverse energyE _T .     

Porous 3-D honeycomb architecture by self-assembly of helical H-bonded molecular tapes

Enantiopure dipeptide-derived 1,3,5-triazepan-2,6-diones and form H-bonded 3(1) helical molecular tapes with P chirality in the solid state; in the case of , these columnar tapes self-assemble through aromatic-aromatic interactions to give hollow tubular structures.     

A Trait‐based framework for mutation bias as a driver of long‐term evolutionary trends

Previous work has shown that mutation bias can direct evolutionary trends in genotypic space under strong selection and rare mutation. We present an extension of this work to general traits of the organism. We do this by allowing many different genotypes, with different fitnesses, to have the same trait value. This approach makes novel predictions and shows that the outcome of evolution for a trait is influenced by mutation bias as well as the fitness distribution of the genotypes that have the same trait value. This distribution can alter evolution in interesting ways, depending on the likelihood of generating high fitness mutants. We also show that mutation bias can direct evolution when many mutants are present at any one time. We demonstrate that mutation bias can drive long‐term evolutionary trends when the environment is constantly changing. Under biologically realistic conditions, we show that mutation bias can counter strong gradients of environmental selection over time. We conclude that evolutionary trends can be quite independent of the environment, even when they depress population fitness. Finally, we show that entropy can be a powerful source of mutation bias and can drive evolutionary trends. © 2015 Wiley Periodicals, Inc. Complexity 21: 331–345, 2016     

Small multivalent architectures mimicking homotrimers of the TNF superfamily member CD40L: delineating the relationship between structure and effector function

Synthetic multivalent ligands, owing to the presence of multiple copies of a recognition motif attached to a central scaffold, can mediate clustering of cell surface receptors and thereby function as effector molecules. This paper dissects the relationship between structure and effector function of synthetic multivalent ligands targeting CD40, a cell surface receptor of the tumor necrosis factor receptor (TNF-R) superfamily. Triggering CD40 signaling in vivo can be used to enhance immunity against intracellular pathogens or tumors. A series of multimeric molecules has been prepared by systematically varying the shape and the valency of the central scaffold, the nature and the length of the linker as well as the sequence of the receptor binding motif. The data reported here (i) suggest that radial distribution of CD40-binding units and C3-symmetry are preferred for optimal binding to CD40 and signaling, (ii) underscore the importance of choosing an appropriate linker to connect the receptor binding motif to the central scaffold, and (iii) show the versatility of planar cyclic alpha- and beta-peptides as templates for the design of CD40L mimetics. In particular, the (Ahx)3-B trimeric scaffold-linker combination equally accommodated binding elements derived from distinct CD40L hot-spot regions including AA" loop and beta-strand E. The use of miniCD40Ls such as those reported here is complementary to other approaches (recombinant ligands, agonistic anti-receptor antibodies) and may find interesting therapeutic applications. Furthermore, the results disclosed in this paper provide the basis for future design of other TNF family member mimetics.