Scanning Protein Surfaces with DNA-Encoded Libraries

Understanding the ligandability of a target protein, defined as the capability of a protein to bind drug-like compounds on any site, can give important stimuli to drug-development projects. For instance, inhibition of protein–protein interactions usually depends on the identification of protein surface binders. DNA-encoded chemical libraries (DELs) allow scanning of protein surfaces with large chemical space. Encoded library selection screens uncovered several protein–protein interaction inhibitors and compounds binding to the surface of G protein-coupled receptors (GPCRs) and kinases. The protein surface-binding chemotypes from DELs are predominantly chemically modified and cyclized peptides, and functional small-molecule peptidomimetics. Peptoid libraries and structural peptidomimetics have been less studied in the DEL field, hinting at hitherto less populated chemical space and suggesting alternative library designs. Roughly a third of bioactive molecules evolved from smaller, target-focused libraries. They showcase the potential of encoded libraries to identify more potent molecules from weak, for example, fragment-like, starting points.     

Nanolayer CrAlN/TiSiN coating designed for tribological applications

With the goal to produce a hard and tough coating intended for tribological applications, CrAlN/TiSiN nanolayer coating was prepared by alternative deposition of CrAlN and TiSiN layers. In the first part of the article, a detailed study of phase composition, microstructure, and layer structure of CrAlN/TiSiN coating is presented. In the second part, its mechanical properties, fracture and tribological behavior are compared to the nanocomposite TiSiN coating. An industrial magnetron sputtering unit was used for coating deposition. X-ray photoelectron spectroscopy, energy dispersive X-ray spectroscopy, X-ray diffraction, scanning electron microscopy, and transmission electron microscopy were used for compositional and microstructural analysis. Mechanical properties and fracture behavior were studied by instrumented indentation and focused ion beam techniques. Tribological properties were evaluated by ball-on-disk test in a linear reciprocal mode. A complex layer structure was found in the nanolayer coating. The TiSiN layers were epitaxially stabilized inside the coating which led to formation of dislocations at interfaces, to introduction of disturbances in the coating growth, and as a result, to development of fine-grained columnar microstructure. Indentation load required for the onset of fracture was twice lower for the nanolayer CrAlN/TiSiN, compared to the nanocomposite TiSiN coating. This agrees very well with their mechanical properties, with H³/E² being twice higher for the TiSiN coating. However, the nanolayer coating experienced less severe damage, which had a strong impact on tribological behavior. A magnitude of order lower wear rate and four times lower steady state friction coefficient were found for the nanolayer coating.     

Wire electrical discharge machinable SiC with GNPs and GO as the electrically conducting filler

SiC based composites filled with graphene nano-platelets (GNPs) or graphene oxide (GO) prepared by rapid hot-pressing exhibit sufficient electrical conductivity for their machinability by wire electro-discharge machining (WEDM). Composites microstructure anisotropy caused by graphene alignment as a consequence of rapid hot pressing was confirmed by measuring of electrical conductivity and thermal diffusivity. Electrical conductivity increased significantly with increased weight fraction of graphene in both measured directions. Highest value of 2031 S/m was obtained for composites with 15 wt. % of GNPs in parallel direction and only 1246 S/m in perpendicular direction to aligned GNPs. Thermal diffusivity is 63.3 mm²/s in parallel and only 23.3 mm²/s in perpendicular direction. The increase of the electrical conductivity has resulted in successful WEDM. The MRR was almost doubled when the filler concentration increased from 5 wt. % GNPs/GO to 15 wt. % GNPs. At the same time, the surface roughness decreased.     

Synthesis and characterization of Co5Cr2(P2O7)4 - New pyrophosphate as a colouring substance

A new pyrophosphate(V) of the formula Co₅Cr₂(P₂O₇)₄ was obtained in the system Co₂P₂O₇–Cr₄(P₂O₇)₃ as a result of solid-state reactions taking place between different reactants. The new compound crystallizes in the orthorhombic system and belongs to the family of pyrophosphates of the general formula M₅²⁺M₂³⁺(P₂O₇)₄ and is probably isostructural with Fe₅²⁺Fe₂³⁺(P₂O₇)₄. Powder diffraction pattern, infrared spectrum and SEM image of the new compound were presented. As a new potential inorganic pigment, Co₅Cr₂(P₂O₇)₄ was tested for its thermal stability, particle size distribution and colour properties, which were studied both for powder and after introduction into organic matrix and leadless ceramic glaze. The colour of Co₅Cr₂(P₂O₇)₄ powder was defined as deep grey with the colour coordinates L*/a*/b* = 60.63/-1.42/-3.41 and according to the hue angle (h° = 247.39°) it belongs to the blue region. Co₅Cr₂(P₂O₇)₄, with its relatively high thermal stability (t _m = 1230 ± 10 °C) and appropriate colour properties, is a good candidate to be used as inorganic pigment for colouring of acrylic paints. In the case of leadless glaze, the obtained compound acts as a dye.     

Evaluation of microbial toxins,trace elements and sensory properties of a high-theabrownins instant Pu-erh tea produced using Aspergillus tubingensis via submerged fermentation

Theabrownins (TB) are polymeric phenolic compounds associated with the multiple bioactivities of Pu-erh tea, a post-fermented Chinese dark tea. High-TB instant Pu-erh tea was produced via a novel submerged fermentation (SF) using Aspergillus tubingensis and compared with samples produced commercially via the conventional solid-state fermentation (SSF). Viable microorganisms and microbial toxins, especially aflatoxins B₁, G₁, B₂, G₂, cyclopiazonic acid, fumonisins B₁, B₂, B₃ and ochratoxin A, were below the detection limit in all samples. Fewer microbial metabolites were found in SF instant tea compared with the SSF teas. Based on an adult consuming 1 g of instant Pu-erh tea daily, the dietary intake of investigated elements was below the safe limits recommended by various authorities. Tasters viewed the instant tea infusions as very mild, smooth, mellow and full. This suggested that submerged fermentation using A. tubingensis offers a speedy and safe alternative to commercial production of instant Pu-erh tea.     

Beyond graph neural networks with lifted relational neural networks

Machine Learning - We introduce a declarative differentiable programming framework, based on the language of Lifted Relational Neural Networks, where small parameterized logic programs are used to...     

Importance of the color of light for the illumination of urban squares

The objective of this article was to establish the significance of parameters relevant for urban square illumination, particularly those related with the color of light. Performed using a questionnaire and with 154 architecture students as respondents, the survey showed that the 18 parameters can be divided into two groups. The first group of 13 parameters refers to the overall impression, influencing the basic and most important lighting aims like safety, security, orientation, visual comfort, and amenity, whereas the second group includes parameters related to lighting features which may negatively influence the overall impression. The four parameters directly linked to the color of light were evaluated lower than expected, indicating that architecture students were probably translating their attitude toward color in architecture to color of light, thus underestimating this lighting parameter. The survey results also showed that female respondents are more sensitive to parameters, which affect safety and security.     

The functionality of woven fabric from air-jet yarn from the mixture of CO/PA and CO/PES fibres in the weft direction

The purpose of presented research is to find out the influence of air-jet yarn from the mixture of CO/PA (50/50) and CO/PES (67/33) fibres on functionality of woven fabric in the plain weave.The first part of the study is directed to the mechanical and physical properties of air-jet yarns (16.7 tex) from CO/PA and CO/PES fibres, while the second part of the study focuses on permeability properties of fabrics with air-jet yarns in the weft. The results show that air-jet yarn in the weft direction influences on the water vapor transmission and thermal conduction increase and air permeability decrease.Incorporation of air-jet yarn in the weft direction also improves breaking extension level.The results of presented research also show that the incorporation of air-jet yarn in the weft has statistical important influence on thermal conduction, water-vapor and air permeability changes.     

Can video games change attitudes towards history? Results from a laboratory experiment measuring short- and long-term effects

This study investigates a video game's effects on implicit and explicit attitudes towards depicted historical events in the short- and long-term on a sample of 148 young adults. We used, as an intervention tool, a serious game Czechoslovakia 38–89: Borderlands that deals with the expulsion of the Sudeten Germans from the former Czechoslovakia after the WWII. Results showed more negative pretest-posttest explicit attitude changes towards the expulsion on a general level (d = −0.34) and a specific level (d = −0.53) compared to the control group. Over the long-term, group differences in attitude change remained significant for the specific level (d = −0.44), but not for general one (d = −0.16). Exploratory analysis on the item level indicated that especially attitudes towards the expulsion's (un)fairness were affected by the game. However, no significant changes were found in implicit attitudes in the experimental group. This study is the first of such scale to empirically investigate video games' effects on a society's historical awareness.