A non‐local continuum damage approach to model dynamic crack branching

Dynamic crack‐branching instabilities in a brittle material are studied numerically by using a non‐local damage model. PMMA is taken as our model brittle material. The simulated crack patterns, crack velocities, and dissipated energies compare favorably with experimental data gathered from the literature, as long as the critical strain for damage initiation as well as the parameters for a rate‐dependent damage law are carefully selected. Nonetheless, the transition from a straight crack propagation to the emergence of crack branches is very sensitive to the damage initiation threshold. The transition regime is thus a particularly interesting challenge for numerical approaches. We advocate using the present numerical study as a benchmark to test the robustness of alternative non‐local numerical approaches. Copyright © 2014 John Wiley & Sons, Ltd.     

4‐Biphenylalanine‐ and 3‐Phenyltyrosine‐Derived Hydroxamic Acids as Inhibitors of the JumonjiC‐Domain‐Containing Histone Demethylase KDM4A

Overexpression of the histone lysine demethylase KDM4A, which regulates H3K9 and H3K36 methylation states, has been related to the pathology of several human cancers. We found that a previously reported hydroxamate‐based histone deacetylase (HDAC) inhibitor (SW55) was also able to weakly inhibit this demethylase with an IC₅₀ value of 25.4 μm . Herein we report the synthesis and biochemical evaluations, with two orthogonal in vitro assays, of a series of derivatives of this lead structure. With extensive chemical modifications on the lead structure, also by exploiting the versatility of the radical arylation with aryldiazonium salts, we were able to increase the potency of the derivatives against KDM4A to the low‐micromolar range and, more importantly, to obtain demethylase selectivity with respect to HDACs. Cell‐permeable derivatives clearly showed a demethylase‐inhibition‐dependent antiproliferative effect against HL‐60 human promyelocytic leukemia cells.     

Treatment of Critical Size Femoral Bone Defects with Biomimetic Hybrid Scaffolds of 3D Plotted Calcium Phosphate Cement and Mineralized Collagen Matrix

To treat critical-size bone defects, composite materials and tissue-engineered bone grafts play important roles in bone repair materials. The purpose of this study was to investigate the bone regenerative potential of hybrid scaffolds consisting of macroporous calcium phosphate cement (CPC) and microporous mineralized collagen matrix (MCM). Hybrid scaffolds were synthetized by 3D plotting CPC and then filling with MCM (MCM-CPC group) and implanted into a 5 mm critical size femoral defect in rats. Defects left empty (control group) as well as defects treated with scaffolds made of CPC only (CPC group) and MCM only (MCM group) served as controls. Eight weeks after surgery, micro-computed tomography scans and histological analysis were performed to analyze the newly formed bone, the degree of defect healing and the activity of osteoclasts. Mechanical stability was tested by 3-point-bending of the explanted femora. Compared with the other groups, more newly formed bone was found within MCM-CPC scaffolds. The new bone tissue had a clamp-like structure which was fully connected to the hybrid scaffolds and thereby enhanced the biomechanical strength. Together, the biomimetic hybrid MCM-CPC scaffolds enhanced bone defect healing by improved osseointegration and their differentiated degradation provides spatial effects in the process of critical-bone defect healing.     

A Novel In Situ Method for Producing a Dispersion of a Ceramic Phase into Copper That Remains Stable at 0.9T M

We apply an in situ approach, whereby a polymer is incorporated into copper and evolves within the metal into the ceramic phase, to create a dispersion of hard particles in a metal. All constituents for the ceramic phase are contained within the organic polymer. The temperature for this polymer to ceramic conversion lies in the 1073 K to 1273 K (800 °C to 1000 °C) range. The process produces a nanoscale dispersion of the ceramic, which leads to high microhardness that remains unaltered at temperatures up to 1223 K (950 °C) (0.9T _M). Apparently, the introduction of the ceramic phase leads to the retention of copper crystallite size of a few hundred nm, despite exposure to heat treatments at these very high temperatures. We call these materials polymer-derived metal-matrix composites.     

Ligand Binding Promiscuity of Human Liver Fatty Acid Binding Protein: Structural and Dynamic Insights from an Interaction Study with Glycocholate and Oleate

Human liver fatty acid binding protein (hL‐FABP) has been reported to act as an intracellular shuttle of lipid molecules, thus playing a central role in systemic metabolic homeostasis. The involvement of hL‐FABP in the transport of bile salts has been postulated but scarcely investigated. Here we describe a thorough NMR investigation of glycocholate (GCA) binding to hL‐FABP. The protein molecule bound a single molecule of GCA, in contrast to the 1:2 stoichiometry observed with fatty acids. GCA was found to occupy the large internal cavity of hL‐FABP, without requiring major conformational rearrangement of the protein backbone; rather, this led to increased stability, similar to that estimated for the hL‐FABP:oleate complex. Fast‐timescale dynamics appeared not to be significantly perturbed in the presence of ligands. Slow motions (unlike for other proteins of the family) were retained or enhanced upon binding, consistent with a requirement for structural plasticity for promiscuous recognition.     

Effective strain rate sensitivity of two phase materials

Analytical expressions are derived for the effective strain rate sensitivity exponent of a two phase material when the behavior of both phases and of the composite itself can be described by power law relations between the stress and strain rates. The material is assumed to be plastically isotropic and obey to von-Mises type creep behavior. Two types of boundary conditions are considered: strain or stress-controlled. The obtained formulas are applied to a geological composite material (mixture of camphor and octachloropropane) with the help of different simple models of two phase composites.     

Adsorption kinetics and mechanical properties of thiol-modified DNA-oligos on gold investigated by microcantilever sensors

Immobilised DNA-oligo layers are scientifically and technologically appealing for a wide range of sensor applications such as DNA chips. Using microcantilever-based sensors with integrated readout, we demonstrate in situ quantitative studies of surface-stress formation during self-assembly of a 25-mer thiol-modified DNA-oligo layer. The self-assembly induces a surface-stress change, which closely follows Langmuir adsorption model. The adsorption results in compressive surface-stress formation, which might be due to intermolecular repulsive forces in the oligo layer. The rate constant of the adsorption depends on the concentration of the oligo solution. Based on the calculated rate constants a surface free energy of the thiol-modified DNA-oligo adsorption on gold is found to be -32.4 kJ mol(-1). The adsorption experiments also indicate that first a single layer of DNA-oligos is assembled on the gold surface after which a significant unspecific adsorption takes place on top of the first DNA-oligo layer. The cantilever-based sensor principle has a wide range of applications in real-time local monitoring of chemical and biological interactions as well as in the detection of specific DNA sequences, proteins and particles.     

Membrane treatment by nanofiltration of exhausted vegetable tannin liquors from the leather industry

A rational use of water in the leather industry is described by applying the criteria of "clean technologies" by means of membrane processes. A nanofiltration (NF) process was used for recovering tannins and water from exhausted baths and reusing them as tanning agents and washings. Results of experiments performed on laboratory and semi-industrial pilot scale plants, operating and fluid-dynamic conditions and mass balance of the NF process are reported and discussed. Chemical and physical analytical values measured on skins treated with the recovered solutions were very similar to those measured on control skins tanned with standard solutions. According to the obtained results, a process scheme is suggested. It permits both to recover water and to increase the tannin/non tannin (T/NT) ratio in the retentate solution, starting from exhausted tanning baths and by using a NF membrane purification/concentration. The final volume reduction factor of tested exhausted baths was 5.25, the increase of T/NT ratio was from 1.1 to 2.3 and the average permeate flux was 12.5l/m(2)h. Advantages are in terms of: reduction of environmental impact (up to 75% of COD reduction of the global effluent), simplification of cleaning-up processes of wastewaters, decrease of disposal costs, saving of chemicals and water.     

Characterization of a Completely User-Independent Algorithm for Carotid Artery Segmentation in 2-D Ultrasound Images

The analysis of the carotid artery wall is crucial for the diagnosis of serious cardiovascular pathologies or for the assessment of a subject's cardiovascular risk. Several algorithms have been proposed for the segmentation of ultrasound carotid artery images, but almost all require a certain degree of user interaction. We recently developed a completely user-independent algorithm for the segmentation of the common-carotid-artery wall; specifically, the algorithm traces the contour of the interfaces between the lumen and the intima layer and between the media and adventitia layers. In this paper, we show the characterization of the algorithm in terms of segmentation error. Moreover, we compare the output of the algorithm with the segmentations manually traced by four experts, using the percent statistics test and testing the automatically generated segmentation against the average human segmentations. We show that our algorithm's segmentation is not statistically different from that of a trained operator and that the segmentation error is lower than 1 pixel for both the lumen-intima interface and for the media-adventitia interface.