Notes

Hydrogen relationship circle within the hydration covering in the normal water enclosed in nanotubes improving the dielectric constant similar across the nanotube axis.
Suramin was initially used to treat African sleeping sickness and has been clinically tested to treat human cancers and HIV infection in the recent years. However, the therapeutic index is low with numerous clinical side-effects, attributed to its diverse interactions with multiple biological macromolecules. Here, we report a novel binding target of suramin, human Raf1 kinase inhibitory protein (hRKIP), which is an important regulatory protein involved in the Ras/Raf1/MEK/ERK (MAPK) signal pathway. Biolayer interference technology showed that suramin had an intermediate affinity for binding hRKIP with a dissociation constant of 23.8 µM. Both nuclear magnetic resonance technology and molecular docking analysis revealed that suramin bound to the conserved ligand-binding pocket of hRKIP, and that residues K113, W173, and Y181 play crucial roles in hRKIP binding suramin. Furthermore, suramin treatment at 160 µM could profoundly increase the ERK phosphorylation level by around 3 times. Our results indicate that suramin binds to hRKIP and prevents hRKIP from binding with hRaf1, thus promoting the MAPK pathway. This work is beneficial to both mechanistically understanding the side-effects of suramin and efficiently improving the clinical applications of suramin.Multi-focus image fusion is the process of combining focused regions of two or more images to obtain a single all-in-focus image. It is an important research area because a fused image is of high quality and contains more details than the source images. This makes it useful for numerous applications in image enhancement, remote sensing, object recognition, medical imaging, etc. This paper presents a novel multi-focus image fusion algorithm that proposes to group the local connected pixels with similar colors and patterns, usually referred to as superpixels, and use them to separate the focused and de-focused regions of an image. We note that these superpixels are more expressive than individual pixels, and they carry more distinctive statistical properties when compared with other superpixels. The statistical properties of superpixels are analyzed to categorize the pixels as focused or de-focused and to estimate a focus map. A spatial consistency constraint is ensured on the initial focus map to obtain a refined map, which is used in the fusion rule to obtain a single all-in-focus image. Qualitative and quantitative evaluations are performed to assess the performance of the proposed method on a benchmark multi-focus image fusion dataset. The results show that our method produces better quality fused images than existing image fusion techniques.The high proportion of CO2/CH4 in low aggregated value natural gas compositions can be used strategically and intelligently to produce more hydrocarbons through oxidative methane coupling (OCM). The main goal of this study was to optimize direct low-value natural gas conversion via CO2-OCM on metal oxide catalysts using robust multi-objective optimization based on an entropic measure to choose the most preferred Pareto optimal point as the problem's final solution. The responses of CH4 conversion, C2 selectivity, and C2 yield are modeled using the response surface methodology. In this methodology, decision variables, e.g., the CO2/CH4 ratio, reactor temperature, wt.% CaO and wt.% MnO in ceria catalyst, are all employed. The Pareto optimal solution was obtained via the following combination of process parameters CO2/CH4 ratio = 2.50, reactor temperature = 1179.5 K, wt.% CaO in ceria catalyst = 17.2%, wt.% MnO in ceria catalyst = 6.0%. By using the optimal weighting strategy w1 = 0.2602, w2 = 0.3203, w3 = 0.4295, the simultaneous optimal values for the objective functions were CH4 conversion = 8.806%, C2 selectivity = 51.468%, C2 yield = 3.275%. Finally, an entropic measure used as a decision-making criterion was found to be useful in mapping the regions of minimal variation among the Pareto optimal responses and the results obtained, and this demonstrates that the optimization weights exert influence on the forecast variation of the obtained response.Atovaquone (ATQ) is a drug used to prevent and treat malaria that functions by targeting the Plasmodium falciparum cytochrome b (PfCytb) protein. PfCytb catalyzes the transmembrane electron transfer (ET) pathway which maintains the mitochondrial membrane potential. The ubiquinol substrate binding site of the protein has heme bL, heme bH and iron-sulphur [2FE-2S] cluster cofactors that act as redox centers to aid in ET. Recent studies investigating ATQ resistance mechanisms have shown that point mutations of PfCytb confer resistance. Thus, understanding the resistance mechanisms at the molecular level via computational approaches incorporating phospholipid bilayer would help in the design of new efficacious drugs that are also capable of bypassing parasite resistance. selleck chemicals llc With this knowledge gap, this article seeks to explore the effect of three drug resistant mutations Y268C, Y268N and Y268S on the PfCytb structure and function in the presence and absence of ATQ. To draw reliable conclusions, 350 ns all-atom membions on ATQ drug activity causing resistance and describes accurate MD simulations in the presence of the lipid bilayer prior to conducting inhibitory drug discovery for the PfCytb-iron sulphur protein (Cytb-ISP) complex.MgO-doped LiNbO3 (LNMg) is famous for its high resistance to optical damage, but this phenomenon only occurs in visible and infrared regions, and its photorefraction is not decreased but enhanced in ultraviolet region. Here we investigated a series of ZrO2 co-doped LNMg (LNMg,Zr) regarding their ultraviolet photorefractive properties. The optical damage resistance experiment indicated that the resistance against ultraviolet damage of LNMg was significantly enhanced with increased ZrO2 doping concentration. Moreover, first-principles calculations manifested that the enhancement of ultraviolet damage resistance for LNMg,Zr was mainly determined by both the increased band gap and the reduced ultraviolet photorefractive center O2-/-. So, LNMg,Zr crystals would become an excellent candidate for ultraviolet nonlinear optical material.
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