Single-step preparation of rutile-type CrNbO4 and CrTaO4 oxides from oxalate precursors–characterization and properties

Chromium niobate and tantalate (CrNbO₄ and CrTaO₄) were synthesized by pyrolysis of the oxalate-based heterometallic complexes [Cr₂(bpy)₄(μ-O)₄Nb₂(C₂O₄)₄]·3H₂O (Cr-Nb) and [Cr(bpy)₂(H₂O)(μ-O)Ta(C₂O₄)₃]₂·3.5H₂O (Cr-Ta) (bpy = 2,2'-bipyridine). Compared to conventional solid-state synthesis, herein studied oxides are prepared at lower temperatures, in one step without repeating grinding procedures. The structure, morphology, and optical properties of the as-synthesized oxides were characterized using powder X-ray diffraction (PXRD), field emission scanning electron microscopy (SEM), the thermogravimetric and differential thermal analysis (TG/DTA) and UV-vis diffuse reflectance spectroscopy (UV-vis DRS). The determined band gap energies of CrNbO₄ and CrTaO₄ are 2.39 and 2.82 eV, respectively, which prompted us to investigate photocatalytic activity of these oxides in degradation of dyes. Microscopy studies show that the particles of both oxides began to aggregate into bigger particles, leading to an increase in grain size. Additionally, magnetization measurements on both oxides revealed spin-glass behavior at low temperatures.     

Quantitative Assessment of Affinity Selection Performance by Using DNA-Encoded Chemical Libraries

DNA-encoded chemical libraries are often used for the discovery of ligands against protein targets of interest. These large collections of DNA-barcoded chemical compounds are typically screened by using affinity capture methodologies followed by PCR amplification and DNA sequencing procedures. However, the performance of individual steps in the selection procedures has been scarcely investigated, so far. Herein, the quantitative analysis of selection experiments, by using three ligands with different affinity to carbonic anhydrase IX as model compounds, is described. In the first set of experiments, quantitative PCR (qPCR) procedures are used to evaluate the recovery and selectivity for affinity capture procedures performed on different solid-phase supports, which are commonly used for library screening. In the second step, both qPCR and analysis of DNA sequencing results are used to assess the recovery and selectivity of individual carbonic anhydrase IX ligands in a library, containing 360 000 compounds. Collectively, this study reveals that selection procedures can be efficient for ligands with sub-micromolar dissociation constants to the target protein of interest, but also that selection performance dramatically drops if 10⁴ copies per library member are used as the input.     

Toward the discovery of novel anti-HIV drugs. Second-generation inhibitors of the cellular ATPase DDX3 with improved anti-HIV activity: synthesis, structure-activity relationship analysis, cytotoxicity studies, and target validation

A hit optimization protocol applied to the first nonnucleoside inhibitor of the ATPase activity of human DEAD-box RNA helicase DDX3 led to the design and synthesis of second-generation rhodanine derivatives with better inhibitory activity toward cellular DDX3 and HIV-1 replication. Additional DDX3 inhibitors were identified among triazine compounds. Biological data were rationalized in terms of structure-activity relationships and docking simulations. Antiviral activity and cytotoxicity of selected DDX3 inhibitors are reported and discussed. A thorough analysis confirmed human DDX3 as a valid anti-HIV target. The compounds described herein represent a significant advance in the pursuit of novel drugs that target HIV-1 host cofactors.     

Application of empirical modelling in multi-layers membrane manufacturing

Multistructured membranes based on ultrafine fibers of polymethylmethacrylate-co-methacrylic acid (PMMA-co-MAA) and TiO₂ nanoparticles have been obtained by electrohydrodynamic (EHD) technologies, for active filter media manufacturing. Process optimization of the nanofibers based layers has been investigated by response surface methodology (RSM) in order to predict the domain of the parameters where the smallest fiber diameter can be achieved. A quantitative relationship between electrospinning parameters and the responses (mean diameter and standard deviation) was established and then the final multi-layers structure of nanofibers and nanoparticles has been achieved for a controlled and robust process. The nanostructured membranes have been characterized by SEM imaging, EDAX, TGA analysis and water vapour permeability and their photocatalytic activity has been tested on VOCs degradation.     

Temperature‐dependent coefficient of thermal expansion (CTE) of injection molded,short‐glass‐fiber‐reinforced polymers

A deep understanding of the anisotropic, composite‐, geometry‐, and temperature‐dependent coefficient of thermal expansion (CTE) of short‐fiber‐reinforced polymers is often needed in material development and at early stages of the design process of injection molded parts. Usually, the data available does not reflect the complex behavior and the knowledge about the influences and interactions are missing. This paper deals with a method for calculating the composite‐, geometry‐, and temperature‐dependent anisotropic CTE of parts made from short‐fiber reinforced polymers without respectively low preload to create an understanding of its origins and influential factors. Here, a good accordance between the measurements and calculations was achieved. POLYM. ENG. SCI., 55:2661–2668, 2015. © 2015 Society of Plastics Engineers     

Generation of Rho Zero Cells: Visualization and Quantification of the mtDNA Depletion Process

Human mitochondrial DNA (mtDNA) is located in discrete DNA-protein complexes, so called nucleoids. These structures can be easily visualized in living cells by utilizing the fluorescent stain PicoGreen^®. In contrary, cells devoid of endogenous mitochondrial genomes (ρ⁰ cells) display no mitochondrial staining in the cytoplasm. A modified restriction enzyme can be targeted to mitochondria to cleave the mtDNA molecules in more than two fragments, thereby activating endogenous nucleases. By applying this novel enzymatic approach to generate mtDNA-depleted cells the destruction of mitochondrial nucleoids in cultured cells could be detected in a time course. It is clear from these experiments that mtDNA-depleted cells can be seen as early as 48 h post-transfection using the depletion system. To prove that mtDNA is degraded during this process, mtDNA of transfected cells was quantified by real-time PCR. A significant decline could be observed 24 h post-transfection. Combination of both results showed that mtDNA of transfected cells is completely degraded and, therefore, ρ⁰ cells were generated within 48 h. Thus, the application of a mitochondrially-targeted restriction endonuclease proves to be a first and fast, but essential step towards a therapy for mtDNA disorders.     

Konformation und Rotationsbarrieren substituierter Glyoxylsäureamide

Conformation and Rotation Barriers of Substituted Glyoxylic Acid Amides Semiempirical calculations predict an orthogonal orientation of the carbonyl groups in tertiary glyoxylic acid amides, which is in good agreement with an X-ray structure analysis of 5 . Due to the influence of the α-carbonyl group, the rotation barrier in the substituted glyoxylic acid amides 2a–d, 3a, 3b , and 4–6 (ΔG^#_c = 84–92 kJ mol⁻¹) is about 10 kJ/mol higher than in simple acid amides, as was found by dynamic NMR line shape analysis.     

Mechanical response of novel SiOC glasses to high temperature exposition

The presented work describes mechanical properties of materials prepared by the pyrolysis of polysiloxane resins. The polymeric precursors have different chemical composition. Materials under investigation are predetermined for high temperature resistant applications usually in composite form, i.e. accompanied by some reinforcement. Instrumented hardness tests were employed for material characterisation. The Vickers hardness, Martens hardness and indentation elastic modulus were the key parameters, determined either from the standard optical technique or load–indentation depth curves. The influence of mechanical properties on the monomers ratio was established. The exposition to the temperature between 1200 °C and 1500 °C in air was applied to observe damage caused by these severe conditions.     

Lignin from Annual Plants as Raw Material Source for Flavors and Basic Chemicals

The enzymatic conversion of lignins, possibly in combination with electrochemical oxidation, makes aromatics such as syringol, guaiacol, vanillin and catechol available in the qualities required by the fragrance industry. The lignins were obtained by soda digestion from wheat straw and Miscanthus, characterized and then converted with laccases. The overall yield amounted up to 9 wt % with a product spectrum confined to four substances. Catechol was the major product, with a fraction of ≈75 %. It can easily be isolated by extraction with acetone.