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Moreover, an exemplary magnetically active deferoxamine-modified material has been proven for competitive in vitro binding of ferric ions from the biological complex protoporphyrin IX-Fe(III), which may lead to a further examination of the materials' biological or medical applicability.It is a common sense that diesel engines produce worse soot emission than gasoline engines, even though gasoline direct injection also brings about terrible sooting tendency. However, reports showed that diesel emits less soot than gasoline in laminar diffusion flames, which implies that soot emission is a combined effect of multiple factors, such as the combustion mode, physical properties of the fuel, and also fuel chemistry. This work, thus, conducted numerical calculations in laminar co-flow diffusion flames of fuels with different negative temperature coefficient (NTC) behaviors in an order of n-heptane > iso-octane > toluene to solely evaluate the chemical effect, especially the role of low-temperature combustion on soot formation. 2-Dimensional simulations were carried out to obtain the soot distributions, and 0-dimensional simulations were performed to analyze the chemical kinetics of polycyclic aromatic hydrocarbon (PAH) formation and low-temperature reaction sensitivities. The grids of the 2-D model converged at 80(r) × 196(z), and the boundary conditions of both models were set to eliminate the influence of physical factors as much as possible. The results showed that there were three main reactions associated to the formation of aromatic hydrocarbons A1 at the first-stage combustion in the n-heptane flame and the iso-octane flame, in which the reaction of C7H15 + O2 = C7H15O2 enhances the NTC behavior. The first two reaction pathways generated larger molecular hydrocarbons and were unfavorable by A1 formation and therefore inhabit the PAH formation, and 49.8% of C7H16 reacted through the large molecular pathways, while the percentage for C8H18, with weaker NTC behavior, was only 37%. Toluene with even weaker NTC behavior showed no low-temperature oxidation. Therefore, in a more general case, fuels with stronger NTC behavior smoke less, and this conclusion could be promising potential to reduce soot emission in future.Graphene nanocomposites have gained significant interest in a variety of biological applications due to their unique properties. Herein, we have studied the apoptosis-inducing ability and anticancer properties of functionalized highly reduced graphene oxide (HRG) and gold nanoparticles (Au NPs)-based nanocomposites (AP-HRG-Au). Samples were prepared under facile conditions via simple stirring and ultrasonication. All the samples were tested for their anticancer properties against different human cancer cell lines including lung (A549), liver (HepG2), and breast (MCF-7) cancer cells using doxorubicin as a positive control. In order to enhance the solubility and bioavailability of the sample, HRG was functionalized with 1-aminopyrene (1-AP) as a stabilizing ligand. The ligand also facilitated the homogeneous growth of Au NPs on the surface of HRG by offering chemically specific binding sites. The synthesis of nanocomposites and the surface functionalization of HRG were confirmed by UV-Vis, powder X-ray diffracthese results suggest that AP-HRG-Au induces enhanced apoptosis in human breast cancer cells.The hydrate formation during the transportation and injection of carbon dioxide in pipelines always leads to the risk of plugging. The development of a cost-efficient CO2 sequestration method requires efficient hydrate inhibitors. In this research work, the synthesized carbon quantum dots (CQDs) of monoethylene glycol (MEG) were tested with CO2 hydrates for their hydrate inhibition efficiency. The hydrothermal method was used for the synthesis of CQDs. The synthesized CQDs were characterized using UV light (365 nm), UV-vis absorption, Fourier transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM), and photoluminescence (PL) spectroscopy. MEG CQDs were found to have very good water solubility and fluorescence properties. The MEG CQDs were tested for their CO2 hydrate inhibition efficiency using the sapphire rocking cell unit. Test results proved that MEG CQDs are much more effective as a CO2 hydrate inhibitor in comparison to MEG.To study the flame propagation characteristics of methane/air premixed gas in the pipeline with a sudden change of the pipe cross-sectional area, six kinds of customized pipes are used to study the methane/air premixed gas with a concentration of 9.5%. The results show that when the initial smooth flame front encounters an abrupt change in the cross-sectional area, the flame front becomes disordered and a turbulent flame is formed. A greater change in the cross-sectional area results in more severe flame turbulence. Compared with larger cross-section pipes set at the ignition end and downstream end, when the large cross-sectional area pipe is set in the middle of the pipe, the flame propagation process receives the secondary mutation induction effect of the abrupt cross section and the turbulence effect is stronger. The maximum propagation velocity and pressure are observed in configuration with the larger pipe in the middle of the pipe network. Moreover, when the cross-sectional area of this larger pipe increases, the flame is more substantially influenced by longitudinal expansion, the maximum propagation velocity and maximum overpressure increase accordingly, and the pressure oscillations are more obvious.To deeply explore the spontaneous combustion disaster of coal caused by air leakage and oxygen supply, low-temperature coal oxidation experiments under different oxygen concentrations (DOC) were carried out. Within the coal spontaneous combustion characteristic measurement system, a synchronous thermal analyzer (STA) and a Fourier transform infrared spectrometer (FTIR), the macro laws of gas and heat generation under DOC are analyzed, and the mechanism of the development of coal spontaneous combustion restricted by the lean-oxygen environment is also revealed. The results show that the change of oxygen concentration (OC) does not affect the critical temperature value and gas index change trend, but the lean-oxygen environment reduces the gas concentration and heat production rate very obviously. According to the temperature of the intersection, OC needs to be lowered to less than 5% when preventing spontaneous combustion of coal. The chain thermal reaction lags in the lean-oxygen environment, and the pyrolysion and control on coal mines.Peroxisome proliferator receptor gamma (PPARγ), a type II nuclear receptor, fundamental in the regulation of genes, glucose metabolism, and insulin sensitization has been shown to be impacted by per- and poly-fluoroalkyl substances (PFASs). To consider the influence of PFASs upon PPARγ, the molecular interactions of 27 PFASs have been investigated. Two binding sites have been identified on the PPARγ homodimer structure the dimer pocket and the ligand binding pocket, the former has never been studied prior. Molecular dynamics calculations were performed to gain insights about PFASs-PPARγ binding and the role of acidic and basic residues. The electrostatic interactions for acidic and basic residues far from the binding site were probed, together with their effect on PPARγ recognition. Short-range electrostatic and van der Waals interactions with nearby residues and their influence on binding energies were investigated. As the negative effects of perfluorooctane sulfonate acid were previously shown to be alleviated by one of its natural ligands, l-carnitine, here, the utility of l-carnitine as a possible inhibitor for other PFASs has been considered. A comparison of the binding patterns of l-carnitine and PFASs provides insights toward mitigation strategies for PFASs.Metal corrosion is an important economic problem globally. One of the best ways to protect metal surfaces from corrosion is by the use of corrosion inhibitors, especially surfactants. This study assesses anticorrosion properties of three inhibitor compounds (S1, S2, and S3) of ethoxylate sulfanilamide containing 2, 10, and 20 units of ethylene oxide on carbon steel in 1 M HCl solution. The anticorrosive performance of S1, S2, and S3 was studied using potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), adsorption isotherm, surface tests (scanning electron microscopy (SEM), energy-dispersive X-ray (EDX) spectroscopy, and X-ray diffraction (XRD) analysis), and computational studies (density functional theory (DFT) and molecular dynamics (MD) simulations) within the concentration range of 10-6 to 10-2 M at 30 ± 2 °C. The results of the methods used indicate that increasing the concentration of the inhibitor compounds improves the effectiveness of inhibition (from 50.9 to 98%), whereas the inhibition efficiency order for ethoxylated sulfanilamide compounds is S2 > S3 > S1 with the highest inhibiting efficiency, respectively, of 98.0, 95.0, and 90.0% for 10-2 M. Also, PDP indicated that S1, S2, and S3 inhibitors act as mixed-type inhibitors and their adsorption obeys the Langmuir adsorption isotherm model. Surface tests show that the studied compounds can significantly inhibit acid attack via chemical adsorption on the metal. Furthermore, all of the chemical descriptors derived from DFT indicate that the three inhibitors are quite well adsorbed by the adhesion centers on the CS surface. The three compounds' molecular geometries and electronic structures were calculated using quantum chemical calculations. Using theoretical computations, the energy difference between the highest occupied molecular orbital and the lowest occupied molecular orbital has been determined to represent chemical reactivity and kinetic stability of a composition.The low-percolation-threshold conductive networking structure is indispensable for the high performance and functionalization of conductive polymer composites (CPCs). In this work, conductive carbon black (CCB)-reinforced ultrahigh-molecular-weight polyethylene (UHMWPE)/polypropylene (PP) blend with tunable electrical conductivity and good mechanical properties was prepared using a high-speed mechanical mixing method and a compression-molded process. An interconnecting segregated hybrid CCB-polymer network is formed in electrically conductive UHMWPE/PP/CCB (UPC) composites. The UPC composites possess a dense conductive pathway at a low percolation threshold of 0.48 phr. learn more The composite with 3 phr CCB gives an electrical conductivity value of 1.67 × 10-3 S/cm, 12 orders of magnitude higher than that of the polymeric matrix, suggesting that CCB improves both the electrical conductivity and electromagnetic interference shielding effectiveness (EMI SE) of the composite at the loading fraction over its percolation threshold. The composite with 15 phr CCB presents an absorption-dominated electromagnetic interference shielding effectiveness (EMI SE) as high as 27.29 dB at the X-band. The composite also presents higher tribological properties, mechanical properties, and thermal stability compared to the UP blend. This effort provides a simple and effective way for the mass fabrication of CPC materials with excellent performance.