Micromechanical deformation processes in PP/wood composites: Particle characteristics,adhesion, mechanisms

Polypropylene (PP) was reinforced with four natural fillers having different particle characteristics. Interfacial adhesion was changed by the introduction of maleated polypropylene (MAPP). The properties of the studied PP/wood composites depended strongly on interfacial adhesion and on the particle characteristics of the wood. Coupling with functionalized polymer is necessary for the preparation of composites with acceptable properties if the size of the particles is large and their aspect ratio is small. The effect of adhesion is smaller for particles with large aspect ratio. Several micromechanical deformation processes may occur in PP/wood composites including matrix yielding, debonding, fiber pull-out and fiber fracture both parallel and perpendicular to the fiber axis. The processes are competitive and may take place simultaneously and/or consecutively. The inherent properties of the reinforcement may limit the improvement of composite strength. Micromechanical deformation processes determine composite properties irrespectively of their mechanism.     

Binding Networks Identify Targetable Protein Pockets for Mechanism-Based Drug Design

The human genome codes only a few thousand druggable proteins, mainly receptors and enzymes. While this pool of available drug targets is limited, there is an untapped potential for discovering new drug-binding mechanisms and modes. For example, enzymes with long binding cavities offer numerous prerequisite binding sites that may be visited by an inhibitor during migration from a bulk solution to the destination site. Drug design can use these prerequisite sites as new structural targets. However, identifying these ephemeral sites is challenging. Here, we introduce a new method called NetBinder for the systematic identification and classification of prerequisite binding sites at atomic resolution. NetBinder is based on atomistic simulations of the full inhibitor binding process and provides a networking framework on which to select the most important binding modes and uncover the entire binding mechanism, including previously undiscovered events. NetBinder was validated by a study of the binding mechanism of blebbistatin (a potent inhibitor) to myosin 2 (a promising target for cancer chemotherapy). Myosin 2 is a good test enzyme because, like other potential targets, it has a long internal binding cavity that provides blebbistatin with numerous potential prerequisite binding sites. The mechanism proposed by NetBinder of myosin 2 structural changes during blebbistatin binding shows excellent agreement with experimentally determined binding sites and structural changes. While NetBinder was tested on myosin 2, it may easily be adopted to other proteins with long internal cavities, such as G-protein-coupled receptors or ion channels, the most popular current drug targets. NetBinder provides a new paradigm for drug design by a network-based elucidation of binding mechanisms at an atomic resolution.     

Bioavailability Improvement Strategies for Icariin and Its Derivates: A Review

In recent years, there has been considerable interest in icariin (ICA) and its derivates, icariside II (ICS) and icaritin (ICT), due to their wide range of potential applications in preventing cancer, cardiovascular disease, osteoporosis, delaying the effects of Alzheimer’s disease, treating erectile dysfunction, etc. However, their poor water solubility and membrane permeability, resulting in low bioavailability, dampens their potential beneficial effects. In this regard, several strategies have been developed, such as pharmaceutical technologies, structural transformations, and absorption enhancers. All these strategies manage to improve the bioavailability of the above-mentioned flavonoids, thus increasing their concentration in the desired places. This paper focuses on gathering the latest knowledge on strategies to improve bioavailability for enhancing the efficacy of icariin, icariside II, and icaritin. We conclude that there is an opportunity for many further improvements in this field. To the best of our knowledge, no such review articles scoping the bioavailability improvement of icariin and its derivates have been published to date. Therefore, this paper can be a good starting point for all those who want to deepen their understanding of the field.     

A Potential Involvement of Anandamide in the Modulation of HO/NOS Systems: Women,Menopause, and “Medical Cannabinoids”

Endocannabinoids and their receptors are present in the cardiovascular system; however, their actions under different pathological conditions remain controversial. The aim of our study was to examine the effects of anandamide (AEA) on heme oxygenase (HO) and nitric oxide synthase (NOS) systems in an estrogen-depleted rat model. Sham-operated (SO) and surgically induced estrogen-deficient (OVX) female Wistar rats were used. During a two-week period, a group of OVX rats received 0.1 mg/kg estrogen (E₂) per os, while AEA-induced alterations were analyzed after two weeks of AEA treatment at the dose of 1.0 mg/kg. At the end of the experiment, cardiac activity and expression of HO and NOS enzymes, content of cannabinoid 1 receptor, as well as concentrations of transient potential vanilloid 1 (TRPV1) and calcitonin gene-related peptide (CGRP) were measured. Our results show that estrogen withdrawal caused a significant decrease in both NOS and HO systems, and a similar tendency was observed regarding the TRPV1/CGRP pathway. Two weeks of either AEA or E₂ treatment restored the adverse changes; however, the combined administration of these two molecules did not result in a further improvement. In light of the potential relationship between AEA and HO/NOS systems, AEA-induced upregulation of HO/NOS enzymes may be a therapeutic strategy in estrogen-deficient conditions.     

Dual Escherichia coli DNA Gyrase A and B Inhibitors with Antibacterial Activity

The emergence of multidrug-resistant bacteria is a global health threat necessitating the discovery of new antibacterials and novel strategies for fighting bacterial infections. We report first-in-class DNA gyrase B (GyrB) inhibitor/ciprofloxacin hybrids that display antibacterial activity against Escherichia coli. Whereas DNA gyrase ATPase inhibition experiments, DNA gyrase supercoiling assays, and in vitro antibacterial assays suggest binding of the hybrids to the E. coli GyrA and GyrB subunits, an interaction with the GyrA fluoroquinolone-binding site seems to be solely responsible for their antibacterial activity. Our results provide a foundation for a new concept of facilitating entry of nonpermeating GyrB inhibitors into bacteria by conjugation with ciprofloxacin, a highly permeable GyrA inhibitor. A hybrid molecule containing GyrA and GyrB inhibitor parts entering the bacterial cell would then elicit a strong antibacterial effect by inhibition of both the GyrA and GyrB subunits of DNA gyrase and potentially slow bacterial resistance development.     

An analytical method to design annular microfilaments with uniform temperature

Microsystem Technologies - Due to their complex electro-thermal characteristics microhotplates used in environmental gas sensors require careful design to exhibit uniform temperature and low power...     

Flux-Closure Magnetic States in Triangular Cobalt Ring Elements

Ferromagnetic ring elements on the micrometer and submicrometer scale exhibit flux-closure magnetic vortex states in an intermediate step of their magnetization reversal. These clockwise or counterclockwise flux-closure states are of interest for applications that encode binary information in magnetic elements. Here, we study the magnetization reversal process of triangular cobalt rings made by e-beam lithography and lift-off. We demonstrate that full control over the direction of flux-closure magnetic states can be achieved solely by homogeneous external magnetic fields applied in particular directions. We have extracted statistical experimental data pertaining to the range of critical field values that trigger magnetization reversal from magnetic force microscopy images, and we explain the results on the basis of micromagnetic simulations     

Co‐immobilized Whole Cells with ω‐Transaminase and Ketoreductase Activities for Continuous‐Flow Cascade Reactions

An improved sol–gel process involving the use of hollow silica microspheres as a supporting additive was applied for the co‐immobilization of whole cells of Escherichia coli with Chromobacterium violaceum ω‐transaminase activity and Lodderomyces elongisporus with ketoreductase activity. The co‐immobilized cells with two different biocatalytic activities could perform a cascade of reactions to convert racemic 4‐phenylbutan‐2‐amine or heptan‐2‐amine into a nearly equimolar mixture of the corresponding enantiomerically pure R amine and S alcohol even in continuous‐flow mode. The novel co‐immobilized whole‐cell system proved to be an easy‐to‐store and durable biocatalyst.     

Key role of the desolvation in the achievement of the quasi-metallic state of electronically conducting polymers

Redox transformation of electronically conducting polymers was studied by different in situ combined electrochemical techniques. Results obtained with polypyrrole/dodecyl sulfate film in aqueous solution and with polythiophene/hexafluorophosphate films in acetonitrile by in situ ac conductance and EQCM support the assumption of the key role of the desolvation in the achievement of the so-called quasi-metallic state of electronically conducting polymers. The desolvation considered as a phase transition is the chemical background of the capacitive behaviour, and it causes the structural changes, which lead to a film in which the interchain interactions may form the large-scale conducting polymer matrix.     

The density matrix renormalization group algorithm on kilo-processor architectures: Implementation and trade-offs

In the numerical analysis of strongly correlated quantum lattice models one of the leading algorithms developed to balance the size of the effective Hilbert space and the accuracy of the simulation is the density matrix renormalization group (DMRG) algorithm, in which the run-time is dominated by the iterative diagonalization of the Hamilton operator. As the most time-dominant step of the diagonalization can be expressed as a list of dense matrix operations, the DMRG is an appealing candidate to fully utilize the computing power residing in novel kilo-processor architectures.