Ottehuang6084

The experimental data are expected to contribute to a database for the validation of mechanisms under pyrolytic conditions for RP-3 jet fuel and should also be valuable to a better understanding of the combustion behavior of RP-3 jet fuel.Salt-inducible kinases (SIKs) are calcium/calmodulin-dependent protein kinase (CAMK)-like (CAMKL) family members implicated in insulin signal transduction, metabolic regulation, inflammatory response, and other processes. Here, we focused on SIK2, which is a target of the Food and Drug Administration (FDA)-approved pan inhibitor N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide (dasatinib), and constructed four representative SIK2 structures by homology modeling. We investigated the interactions between dasatinib and SIK2 via molecular docking, molecular dynamics simulation, and binding free energy calculation and found that dasatinib showed strong binding affinity for SIK2. Binding free energy calculations suggested that the modification of various dasatinib regions may provide useful information for drug design and to guide the discovery of novel dasatinib-based SIK2 inhibitors.This work combines guanidine dihydrogen phosphate (GDP) and zinc borate (ZB) to modify wood via microwave-ultrasonic impregnation for realizing favorable flame retardancy and thermal stability, which were investigated by the limiting oxygen index (LOI), thermogravimetric analysis (TGA), and cone calorimetry tests (CONE). The treated samples show better performance in fire retardancy with the LOI value increasing to 47.8%, and the results of TGA indicate the outstanding thermal stability of wood. In addition, the decline of heat release rate, total heat release, smoke production rate, and total smoke production examined by CONE further demonstrates the achievement of excellent flame retardancy and smoke suppression properties of the GDP/ZB-modified wood.Cell-based aptamer selection (Cell-SELEX) against predefined protein targets that benefits using the native form of the targets is the most promising approach to achieve aptamer probes capable of recognizing targets under both in vitro and in vivo conditions. The major disadvantages in Cell-SELEX are the imperfectness of the negative selection step and the lengthy procedure of selection. Here, we introduced the Counter-SELEX as part of our modified Cell-SELEX and implemented deep sequencing to overcome these shortcomings in developing aptamers against aspartate β-hydroxylase (ASPH) as a known tumor marker. In parallel with the conventional Cell-SELEX, five consecutive cycles of counter selection were accomplished using sequences bound to negative cells (the Counter-SELEX) to detect oligos that are not specific for ASPH. After high-throughput sequencing, the representative of each promising achieved family was subjected to further confirmatory analysis via flow cytometry, followed by the fluorescence immunostaining of histopathological sections. Implementing our innovative complementary method, annoying mis-selected sequences in Cell-SELEX enriched pools were effectively identified and removed. According to the affinity assay on the cells displaying ASPH, three aptamers, AP-Cell 1, AP-Cell 2, and AP-Cell 3, with K d values of 47.51, 39.38, and 65.23 nM, respectively, were obtained, while AP-Cell 1 and 3 could then successfully spot ASPH displayed on the tissues. Our study showed that the Counter-SELEX could be considered as a complementary method for Cell-SELEX to overcome the imperfectness of the negative selection step. Moreover, high-throughput nucleotide sequencing could help to shorten the overall process.The family of graphynes, novel two-dimensional semiconductors with various and fascinating chemical and physical properties, has attracted great interest from both scientific and industrial communities. Currently, the focus is on graphdiyne or graphyne-2. In this work, we systematically study the effect of acetylene, i.e., carbon-carbon triple bond, links on the electronic and optical properties of a series of graphynes (graphyne-n, where n = 1-5, the number of acetylene bonds) using ab initio calculations. We find an even-odd pattern, i.e., n = 1, 3, 5 and n = 2, 4 having different features, which has not been discovered in studying graphyne or graphdiyne alone. It is found that as the number of acetylene bonds increases, the electron effective mass increases continuously in the low-energy range because of the flatter conduction band induced by the longer acetylene links. Meanwhile, longer acetylene links result in a larger red shift of the imaginary part of the dielectric function, loss function, and extinction coefficient. In this work, we propose an effective method to tune and manipulate both the electronic and optical properties of graphynes for the applications in optoelectronic devices and photochemical catalysis.Cage-like metallo-borospherenes exhibit unique structures and bonding. Selleck RAD1901 Inspired by the newly reported smallest spherical trihedral metallo-borospherene D 3h Ta3B12 - (1), which contains two equivalent B3 triangles interconnected by three B2 units on the cage surface, we present herein a first-principles theory prediction of the perfect spherical tetrahedral metallo-borospherene T d Ta4B18 (2), which possesses four equivalent B3 triangles interconnected by six B atoms, with four equivalent nonacoordinate Ta centers in four η9-B9 rings as integrated parts of the cage surface. As the well-defined global minimum of the neutral, Ta4B18 (2) possesses four 10c-2e B9(π)-Ta(dσ) and eight 10c-2e B9(π)-Ta(dδ) coordination bonds evenly distributed over four Ta-centered Ta@B9 nonagons, with the remaining 18 valence electrons in nine 22c-2e totally delocalized bonds following the 18-electron principle (1S21P61D10) of a superatom. Such a bonding pattern renders spherical aromaticity to the tetrahedral complex, which can be used as building blocks to form the face-centered cubic crystal Ta4B15 (3). The IR, Raman, and UV-vis spectra of Ta4B18 (2) are theoretically simulated to facilitate its future experimental characterizations.