Currintownsend6540

Identification of PTMs in proteins with respect to the subcellular localization will help to characterize candidate proteins before developing novel drugs and vaccines rationally to combat leptospirosis.The polymers, chitosan, a polysaccharide, and gelatin, a protein, are crosslinked in different ratios without the aid of a crosslinking agent. Facile chemical reactions were followed to synthesize a chitosan/gelatin nanocomposite in three different ratios (11, 13, and 31). The solubility of chitosan and the stability of gelatin were improved due to the crosslinking. Both the polymers have excellent biodegradability, biocompatibility, adhesion, and absorption properties in a biological environment. The properties of the composite were favorable to be used in drug delivery applications, and the drug dopamine was encapsulated in the composite for all three ratios. The properties of the chitosan/gelatin nanocomposite and dopamine-loaded chitosan/gelatin nanocomposite were examined using XRD, FTIR, SEM, UV, TGA, TEM, and DLS techniques, and the crosslinking was confirmed. Higuchi kinetic release was seen with a cumulative release of 93% within 24 h for the 13 nanocomposite in a neutral medium. The peaks at 9 and 20° in the XRD spectrum confirmed the encapsulation of dopamine with the increase in the crystallinity of chitosan, which is also evident from the SAED image. Selleck E-616452 The dopamine functional groups were confirmed from the IR peaks between 500 and 1500 cm-1 and the wide UV absorption maxima between 250 and 290 nm. The particle size of the drug-loaded composite in the ratios 11, 13, and 31 were calculated to be 275, 405, and 355 nm, respectively. The nanocomposite also showed favorable DPPH antioxidant and antibacterial activity againstStaphylococcus aureus. Sustained release of dopamine in a neutral medium using crosslinked chitosan and gelatin without the presence of a crosslinker is the highlight of the work.Triboelectric nanogenerators (TENGs) have shown huge application potential in the fields of micro-nano energy harvesting and multifunctional sensing. However, the damage of triboelectric material is one of the challenges for their practical applications. Herein, we fabricated a flexible TENG employing self-healing hydrogel and fluorinated ethylene propylene film as triboelectric materials for mechanical energy harvesting and pressure monitoring. The prepared hydrogel not only has excellent flexibility, transparency, and self-healing property but also exhibits good mechanical property without plastic deformation and damage under a large stretchable strain of 200%. The output electric signals of TENGs are as high as 33.0 V and 3 μA under a contact frequency of 0.40 Hz and a pressure of 2.9 N, respectively, which can charge a capacitor of 0.22 μF to 24.3 V within 300 s. Note that the voltage retention rate of TENGs after self-healing is up to 88.0%. Moreover, hydrogel-based TENGs can act as a wearable pressure sensor for monitoring human motion, exhibiting a high sensitivity of 105.9 mV/N or 1.73 nA/N under a contact frequency of 0.40 Hz. This research provides a reference roadmap for designing TENGs and self-powered pressure sensors with flexibility, self-healing, and robustness.Colorectal carcinogenesis is a complex process, which is linked to dysregulation of human secretory phospholipases A2 (hsPLA2-G-IIA, hsPLA2-G-V, and hsPLA2-G-X), proteases (cathepsin-B, collagenase, thrombin, elastase, and trypsin), carbohydrate hydrolyzing enzymes (α-amylase and α-glucosidase), and free radical generating enzyme (xanthine oxidoreductase (XOR)). Therefore, some new quinazolinones were synthesized and evaluated as inhibitors against this array of enzymes as well as cytotoxic agents on LoVo and HCT-116 cells of colorectal cancer. Compounds 3g, 10, 8, 3c, and 1c exhibited promising cytotoxic effects with IC50 values ranging from 206.07 to 459.79 μM. Nine compounds showed promising enzymatic inhibitory effects, 3b, 3d, 3f, 5, 1a, and 12 (α-amylase), 8 (thrombin, elastase and trypsin), 10 (hsPLA2-G-IIA and hsPLA2-G-V), and 3f (α-glucosidase and XOR). Therefore, the most active inhibitors, were subjected to validated molecular docking studies to identify their affinities and binding modes. The expected physicochemical and pharmacokinetic features of the active candidates, 1a, 1c, 3b, 3c, 3d, 3f, 3g, 5, 8, 10, and 12 were predicted using bioavailability radar charts and boiled-egg graphical representations along with the Lipinski rule of five filter. Collectively, these studies showed the significance of derivatives 1c, 3b, 3c, 3d, 8, 10, and 12 as lead scaffolds for further optimization to develop enzymes inhibitors and anti-colorectal agents.Coal remains the largest contributor to the energy structure of China. However, coal production is frequently threatened by groundwater inrush accidents caused by hydraulically conductive faults. Despite the threat of such accidents, research on methods for evaluating fault hydraulic conductive property without hydraulic tests has seldom been conducted. Many faults exist in coal mines in Shandong, China. However, due to economic and technical limitations, hydrological tests are rarely performed and can be performed on only a few faults. The hydraulic conductive property of many faults is unknown, which has prevented serious groundwater inrush accidents and casualties from being avoided. Using accessible geological exploration data, we propose a method for evaluating fault hydraulic conductive property in the Jining coalfield, Shandong, China. Mudstone smearing, lithologic contact relations on the fault plane, geostress, water pressure, plastic deformation of mudstone, and the argillaceous content of the fault zone were selected as factors, and six quantitative indicators were proposed the shale gouge ratio (SGR), lithologic juxtaposition diagram (LJD), fault closure coefficient (FCC), water pressure coefficient (WPC), mudstone deformation coefficient (MDC), and shale smear factor (SSF). The fuzzy analytic hierarchy process (FAHP) was applied to calculate the weights and establish lateral and vertical hydraulic conductive property (L and V) evaluation models for faults. The fault hydraulic conductivities were then classified as weak, medium, or strong. The hydrochemical experiments and the limited number of exposed faults were used for validation. Hence, the evaluation models were considered effective at determining the hydraulic conductive property of faults in the Jining coalfield, China.A three-tank process has difficulty in controller design because of nonlinear flow and interactions between tanks. This paper addresses the design methodology of the model-predictive controller (MPC) for the three-tank system. The control performance of the proposed MPC controller is compared with the proportional plus integral (PI) controller by both simulations and experiments on the real three-tank pilot with the industrial ABB 800xA automation system. The MPC controller shows a faster response for the two tanks In the simulation, the settling times are about 120 s for both tanks of the MPC controller. On the other hand, the settling times for the PI controller are about 200 s for the first tank and 150 s for the second tank. The experiments confirm these results.The histone acetylation-deacetylation at lysine regulates the functions of many cellular proteins. An increased expression of HDAC6 can cause an increased amount of deacetylated histones, which leads to an inhibition of gene expression and has been associated with cancer cell proliferation. The present study screened the ZINC database to find novel HDAC6 inhibitors using virtual high-throughput screening techniques. The docking score, free energy, and binding pattern of the complexes were used to select a best ligand for further study. Molecular dynamic simulations, binding interactions, and the stability of docked conformations were investigated. Several parameters that determine protein-ligand interactions, such as root-mean-square deviation (RMSD), root-mean-square fluctuation (RMSF), radius of gyration (Rg), and binding pattern, were observed. Hydrogen bonds were observed at His 573 and Gly 582 after a 150 ns simulation with identified compound ZINC000002845205, and they were similar to known inhibitor Panobinostat. The molecular mechanics with generalised Born and surface area solvation (MM/GBSA) free energy was comparable to known inhibitor Panobinostat. ZINC000002845205 qualifies drug-likeness according to Lipinski's rule-of-five, rule-of-three, and the World Drug Index (WDI)-like rule, but there is one violation in the lead-like rule.One of the main approaches for compositional analysis of crude oils is SARA fractionation in which the sample is separated into saturate, aromatic, resin, and asphaltene fractions based on their polarity. A fully automated standardized SARA analysis for bitumen and heavy crudes has been developed and optimized using three commercial columns packed with different stationary phases based on the combination of adsorption and partition chromatography. The system is equipped with automated six-, eight-, and ten-port switching valves that control the flow direction. In this analytical technique, a bitumen (or heavy oil) sample diluted in toluene is swept through the column by pentane as the primary carrier phase. The sample is separated into four fractions by selective retention through interactions with the solvent mobile phases and the column stationary phases. The poly(tetrafluoroethylene) (PTFE) column filters asphaltenes, ZORBAX CN absorbs resins, and ZORBAX RX-SIL retains aromatics. Three samples of bitumen and heavy oils were fractionated to their SARA fractions by the developed method. Consistent results were obtained, proving the applicability of the new analytical technique to a wide range of crude oil samples. In addition, the performance of the developed SARA high-performance liquid chromatography (HPLC) method was compared with the conventional method, which demonstrates that it is more efficient, cost-effective, and consistent.Nowadays, biomolecular motor-based miniaturized lab-on-a-chip devices have been attracting much attention for their wide range of nanotechnological applications. Most of the applications are dependent on the motor-driven active transportation of their associated filamentous proteins as shuttles. Fluctuation in the movement of the shuttles is a major contributor to the dispersion in motor-driven active transportation, which limits the efficiency of the miniaturized devices. In this work, by employing the biomolecular motor kinesin and its associated protein filament microtubule as a model active transport system, we demonstrate that the deep-sea osmolyte trimethylamine N-oxide (TMAO) is useful in regulating the fluctuation in the motility of microtubule shuttles. We show that the motional diffusion coefficient, a measure of the fluctuation in the movement of the kinesin-propelled microtubules, gradually decreases upon increasing the concentration of TMAO in the transportation system. We have been able to reduce the motional diffusion coefficient of microtubules more than 200 times by employing TMAO at a concentration of 2 M. We also show that upon elimination of TMAO, the motional diffusion coefficient of microtubules can be restored, which confirms that TMAO can be used as a tool to reversibly regulate the fluctuation in the sliding movement of kinesin-propelled microtubule shuttles. Such reversible regulation of the dynamic behavior of the shuttles does not require sacrificing the concentration of fuel used for transportation. Our results confirm the ability to manipulate the nanoscale motion of biomolecular motor-driven active transporters in an artificial environment. This work is expected to further enhance the tunability of biomolecular motor functions, which, in turn, will foster their nanotechnological applications based on active transportation.