Flow streamline based Navier-Stokes Characteristic Boundary Conditions: Modeling for transverse and corner outflows

Some limitations of three dimensional Navier-Stokes Characteristic Boundary Conditions (3D-NSCBC) are discussed for flows traveling in a direction that is oblique to the boundary. To limit errors generated at boundaries with flows having any arbitrary direction, it is proposed to organize the wave decomposition in a coordinate system that is attached to the local flow streamline crossing the boundary, because some modeled expressions are not frame independent. Compared to previous 3D-NSCBC, the modified strategy accounting for oblique waves is found to improve the outflow treatment for transverse outgoing vortices, up to vortices crossing an outflow corner. The method is also applied to an expanding laminar flame.     

N,N′-alkylated Imidazolium-Derivatives Act as Quorum-Sensing Inhibitors Targeting the Pectobacterium atrosepticum-Induced Symptoms on Potato Tubers

Bacteria belonging to the Pectobacterium genus are the causative agents of the blackleg and soft-rot diseases that affect potato plants and tubers worldwide. In Pectobacterium, the expression of the virulence genes is controlled by quorum-sensing (QS) and N-acylhomoserine lactones (AHLs). In this work, we screened a chemical library of QS-inhibitors (QSIs) and AHL-analogs to find novel QSIs targeting the virulence of Pectobacterium. Four N,N′-bisalkylated imidazolium salts were identified as QSIs; they were active at the μM range. In potato tuber assays, two of them were able to decrease the severity of the symptoms provoked by P. atrosepticum. This work extends the range of the QSIs acting on the Pectobacterium-induced soft-rot disease.     

Nanocomposite piezoelectric films of P(VDF‐TrFE)/LiNbO3

Piezoelectric films were prepared by incorporation of lithium niobate (LiNbO₃) nanoparticles into copolymer of vinylidene difluoride and trifluoroethylene. Nanoparticles of LiNbO₃ with ferroelectric phase were successfully synthesized and dispersed homogenously by ultrasonication in the copolymer matrix without any surfactant or surface functionalization. The nanocomposites were fully characterized by electronic microscopy, X‐ray diffraction, differential scanning calorimetry, dynamical mechanical analysis, and piezometer. Surprisingly, the copolymer matrix crystallinity and morphology were not affected by the incorporation of nanoparticles. Therefore the nanocomposites remained good mechanicals properties and high ferroelectricity coupled to nonlinear optical activity thanks to the noncentro symmetric space group of lithium niobate. This could be a novel approach to develop new multifunctional materials. © 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013     

Design of poly(N‐acryloylglycine) materials for incorporation of microorganisms

To incorporate microorganisms and to preserve their integrity, new matrices of poly(N‐acryloylglycine) have been designed under appropriate conditions. To understand the interactions between the microorganisms and the organic part of the matrices, different conetworks of poly(N‐acryloylglycine) have been synthesized and characterized. Copolymerization with two crosslinkers was performed with different compositions. The thermal and swelling properties of conetworks are specifically controlled and compared. These investigations show that the swelling ratio of these materials is compatible with the incorporation of biomolecules in these matrices. They successfully permit Pseudomonasspecies 1625 bacteria incorporation. The biological activity of bacteria is also preserved, allowing the use of these materials for innovative biological applications. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 130: 835‐841, 2013     

Discovery of an Acyclic Nucleoside Phosphonate that Inhibits Mycobacterium tuberculosis ThyX Based on the Binding Mode of a 5‐Alkynyl Substrate Analogue

The urgent need for new antibiotics poses a challenge to target un(der)exploited vital cellular processes. Thymidylate biosynthesis is one such process due to its crucial role in DNA replication and repair. Thymidylate synthases (TS) catalyze a crucial step in the biosynthesis of thymidine 5‐triphosphate (TTP), an elementary building block required for DNA synthesis and repair. To date, TS inhibitors have only been successfully applied in anticancer therapy due to their lack of specificity for antimicrobial versus human enzymes. However, the discovery of a new family of TS enzymes (ThyX) in a range of pathogenic bacteria that is structurally and biochemically different from the “classic” TS (ThyA) has opened the possibility to develop selective ThyX inhibitors as potent antimicrobial drugs. Here, the interaction of the known inhibitor 5‐(3‐octanamidoprop‐1yn‐1yl)‐2′‐deoxyuridine‐5′‐monophosphate ( 1 ) with Mycobacterium tuberculosis ThyX enzyme is explored using molecular modeling starting from published crystal structures, with further confirmation through NMR experiments. While the deoxyuridylate (dUMP) moiety of compound 1 occupies the cavity of the natural substrate in ThyX, the rest of the ligand (the “5‐alkynyl tail”) extends to the outside of the enzyme between two of its four subunits. The hydrophobic pocket that accommodates the alkyl part of the tail is formed by displacement of Tyr 44.C, Tyr 108.A and Lys 165.A. Changes to the resonance of the Lys 165 NH₃ group upon ligand binding were monitored in a titration experiment by 2D HISQC NMR. Guided by the results of the modeling and NMR studies, and inspired by the success of acyclic antiviral nucleosides, compounds where a 5‐alkynyl uracyl moiety is coupled to an acyclic nucleoside phosphonate (ANP) were synthesized and evaluated. Of the compounds evaluated, sodium (6‐(5‐(3‐octanamidoprop‐1‐yn‐1‐yl)‐2,4‐dioxo‐3,4‐dihydropyrimidin‐1(2H)‐yl)hexyl)phosphonate ( 3 e ) exhibited 43 % of inhibitory effect on ThyX at 50 μM . While only modest activity was achieved, this is the first example of an ANP inhibiting ThyX, and these results can be used to further guide structural modifications to this class to develop more potent compounds with potential application as antibacterial agents acting through a novel mechanism of action.     

Implication of scavenger receptors in the interactions between diesel exhaust particles and immature or mature dendritic cells

Background  

The exposure to pollutants such as diesel exhaust particles (DEP) is associated with an increased incidence of respiratory diseases. However, the mechanisms by which DEP have an effect on human health are not completely understood. In addition to their action on macrophages and airway epithelial cells, DEP also modulate the functions of dendritic cells (DC). These professional antigen-presenting cells are able to discriminate unmodified self from non-self thanks to pattern recognition receptors such as the Toll like Receptors (TLR) and Scavenger Receptors (SR). SR were originally identified by their ability to bind and internalize modified lipoproteins and microorganisms but also particles and TLR agonists. In this study, we assessed the implication of SR in the effects of DEP associated or not with TLR agonists on monocyte-derived DC (MDDC). For this, we studied the regulation of CD36, CXCL16, LOX-1, SR-A1 and SR-B1 expression on MDDC treated with DEP associated or not with TLR2, 3 and 4 ligands. Then, the capacity of SR ligands (dextran sulfate and maleylated-ovalbumin) to block the effects of DEP on the function of lipopolysaccharide (LPS)-activated DC has been evaluated.     

Synthesis and characterization of high molecular weight poly(tert.butyl acrylate)

High molecular weight poly(tert. butyl acrylate) s have been synthesized anionically using a technique derived from that of Teyssié et al. It was established that under proper conditions the sites remained living, allowing proper control of the molecular weight and yielding samples with narrow molecular weight distributions.     

Direct Ni Electroless Metallization of Poly(etherimide) without Using Palladium as a Catalyst

ELECTROLESS METALLIZATION of insulatingmaterials is currently used in industry since severaldecades.In its most common applications it consists ina redox reaction between Ni(+2)or Cu(+2)ions and astrong reducer(respectively hypophosphite,H2PO2,forNi(+2)and formaldehyde,HCHO,for Cu(+2))bothcontained in the same solution.The reaction initiationis generally catalyzed by palladium,then the redoxreaction goes on thanks to the remarkable property ofNi and Cu in their metallic state to …     

Supplementation of the diet with the functional fiber PolyGlycoplex? is well tolerated by healthy subjects in a clinical trial

Background  

The relationship of dietary fiber to overall health is of great importance, as beneficial effects have been demonstrated with the use of fiber from diverse sources, some traditional, other novel. PolyGlycopleX^? (PGX^?) is a unique proprietary product composed of three water-soluble polysaccharides, that when processed using novel technology give rise to a final product – a soluble, highly viscous functional fiber.