Computational Investigation Identified Potential Chemical Scaffolds for Heparanase as Anticancer Therapeutics

Heparanase (Hpse) is an endo-β-D-glucuronidase capable of cleaving heparan sulfate side chains. Its upregulated expression is implicated in tumor growth, metastasis and angiogenesis, thus making it an attractive target in cancer therapeutics. Currently, a few small molecule inhibitors have been reported to inhibit Hpse, with promising oral administration and pharmacokinetic (PK) properties. In the present study, a ligand-based pharmacophore model was generated from a dataset of well-known active small molecule Hpse inhibitors which were observed to display favorable PK properties. The compounds from the InterBioScreen database of natural (69,034) and synthetic (195,469) molecules were first filtered for their drug-likeness and the pharmacophore model was used to screen the drug-like database. The compounds acquired from screening were subjected to molecular docking with Heparanase, where two molecules used in pharmacophore generation were used as reference. From the docking analysis, 33 compounds displayed higher docking scores than the reference and favorable interactions with the catalytic residues. Complex interactions were further evaluated by molecular dynamics simulations to assess their stability over a period of 50 ns. Furthermore, the binding free energies of the 33 compounds revealed 2 natural and 2 synthetic compounds, with better binding affinities than reference molecules, and were, therefore, deemed as hits. The hit compounds presented from this in silico investigation could act as potent Heparanase inhibitors and further serve as lead scaffolds to develop compounds targeting Heparanase upregulation in cancer.     

Self-healing capacity of Mullite-Yb2SiO5 environmental barrier coating material with embedded Ti2AlC MAX phase particles

Repetitive heating and cooling cycles inevitably cause crack damage of hot gas components of gas turbine engines, such as blades and vanes. In this study the self-healing capacity is investigated of mullite + ytterbium monosilicate (Yb₂SiO₅) as EBC material with Ti₂AlC MAX phase particles embedded as a crack-healing agent. The effect of Ti₂AlC in the EBC was compared with the self-healing ability of the mullite + Yb₂SiO₅ material. After introducing cracks by Vickers indentation on the surface of each sample, crack healing was realized by controlling the temperature and time during the post-heat-treatment process. For the mullite + Yb₂SiO₅ composite with Ti₂AlC particles, crack healing occurred at 1000 °C, while in the case of the mullite + Yb₂SiO₅ composite without Ti₂AlC, a sustained temperature of 1300 °C or higher was required. Compared with the healing of the mullite + Yb₂SiO₅ composite by the formation of a eutectic phase, the addition of Ti₂AlC promoted healing via the oxidation of Ti and Al. Notably, the surface formation of a ternary oxide of Ti–Yb–O was confirmed, which completely covered the damage area. Consequently, the addition of a Ti₂AlC MAX phase to the EBC composite resulted in a complete strength recovery, while the mullite + Yb₂SiO₅ composite without Ti₂AlC showed a strength recovery of about 80%. Furthermore, by analyzing the indentation load–displacement curve to indicate the role of Ti₂AlC, the addition of Ti₂AlC improved both the hardness and stiffness of the composite.     

Packet Squeezing of Random Access with 5G Real-Time Services for Internet of Things

Wireless Personal Communications - Random Access techniques are many, most of which are designed for a limited number of mobile nodes. However, in a 5G Internet of Things environment, the design of...     

Investigation of bacterial and fungal communities in indoor and outdoor air of elementary school classrooms by 16S rRNA gene and ITS region sequencing

The advent of high-throughput sequencing methods allowed researchers to fully characterize microbial community in environmental samples, which is crucial to better understand their health effects upon exposures. In our study, we investigated bacterial and fungal community in indoor and outdoor air of nine classrooms in three elementary schools in Seoul, Korea. The extracted bacterial 16S rRNA gene and fungal ITS regions were sequenced, and their taxa were identified. Quantitative polymerase chain reaction for total bacteria DNA was also performed. The bacterial community was richer in outdoor air than classroom air, whereas fungal diversity was similar indoors and outdoors. Bacteria such as Enhydrobacter, Micrococcus, and Staphylococcus that are generally found in human skin, mucous membrane, and intestine were found in great abundance. For fungi, Cladosporium, Clitocybe, and Daedaleopsis were the most abundant genera in classroom air and mostly related to outdoor plants. Bacterial community composition in classroom air was similar among all classrooms but differed from that in outdoor air. However, indoor and outdoor fungal community compositions were similar for the same school but different among schools. Our study indicated the main source of airborne bacteria in classrooms was likely human occupants; however, classroom airborne fungi most likely originated from outdoors.     

Aqueous dispersion of 1D van der Waals Mo6S3I6 crystal using biocompatible tri-block copolymer

To achieve the stable dispersion of 1D van der Waals crystal Mo₆S₃I₆ in aqueous media, the tri-block copolymer (Poloxamer) is used as dispersant. The head group of Poloxamer, hydrophobic polypropylene oxide parts can be adsorbed to Mo₆S₃I₆ surface by hydrophobic interaction and the tail group with hydrophilic polyethylene oxide exposed to the outside of the Mo₆S₃I₆ is soluble in water and can form sufficient steric hindrance, resulting in stable aqueous dispersion in nm scale. The excellent biocompatibility of aqueous dispersed nm scale 1D Mo₆S₃I₆ was demonstrated by effective proliferation of C2C12 cells.     

Approaching Ultrastable High‐Rate Li–S Batteries through Hierarchically Porous Titanium Nitride Synthesized by Multiscale Phase Separation

Porous architectures are important in determining the performance of lithium–sulfur batteries (LSBs). Among them, multiscale porous architecutures are highly desired to tackle the limitations of single‐sized porous architectures, and to combine the advantages of different pore scales. Although a few carbonaceous materials with multiscale porosity are employed in LSBs, their nonpolar surface properties cause the severe dissolution of lithium polysulfides (LiPSs). In this context, multiscale porous structure design of noncarbonaceous materials is highly required, but has not been exploited in LSBs yet because of the absence of a facile method to control the multiscale porous inorganic materials. Here, a hierarchically porous titanium nitride (h‐TiN) is reported as a multifunctional sulfur host, integrating the advantages of multiscale porous architectures with intrinsic surface properties of TiN to achieve high‐rate and long‐life LSBs. The macropores accommodate the high amount of sulfur, facilitate the electrolyte penetration and transportation of Li⁺ ions, while the mesopores effectively prevent the LiPS dissolution. TiN strongly adsorbs LiPS, mitigates the shuttle effect, and promotes the redox kinetics. Therefore, h‐TiN/S shows a reversible capacity of 557 mA h g^?1 even after 1000 cycles at 5 C rate with only 0.016% of capacity decay per cycle.     

Contents-aware partitioning algorithm for parallel high efficiency video coding

Multimedia Tools and Applications - We introduce a new parallelization method for high-efficiency video coding (HEVC), which resolves the shortcomings of the existing tile-based parallel processing...     

Properties of recombinant 4-α-glucanotransferase from Bifidobacterium longum subsp. longum JCM 1217 and its application

Food Science and Biotechnology - To determine the physiochemical properties of the 4-α-glucanotransferase from Bifidobacterium sp., the bllj_0114 gene encoding 4-α-glucanotransferase was...