Mcgeejustice9575

The economic loss and environmental damage caused by metal corrosion is irreversible. Thus, effective methods, such as coating technologies are used to protect metal surfaces from corrosion. In this work, cardanol-based benzoxazine (CB) was synthesized by a solvent-free method using cardanol, paraformaldehyde and n-octylamine. A cardanol-based benzoxazine copper polymer (CBCP) with good mechanical properties was then prepared by CuCl2 catalysis and can be cured at room temperature. Subsequently, polyimide corrosion inhibitors with a two-dimensional sheet structure (pyromellitic dianhydride polyimide (PDPI) and 1,4,5,8-naphthalene tetracarboxylic dianhydride polyimide (NDPI)) were designed and prepared. Lastly, PDPI or NDPI was mixed with CBCP to obtain two-dimensional lamellar polyimide/cardanol-based benzoxazine copper polymer composite coatings. The Tafel curves and electrochemical impedance spectroscopy (EIS) measurements showed composite coatings with good corrosion resistance in different corrosive media. Compared to CBCP coating, the anticorrosion performance of the composite coatings improved obviously, especially the coating obtained with 0.5 wt% PDPI. It exhibits a high polarization resistance (3.874 × 109 Ω), a high protection efficiency (99.99% and 97.98%) and low corrosion rate (3.376 × 10-6 mm year-1). This work suggested a facile and eco-friendly strategy for preparing bio-based anticorrosive composite coatings from low cost and abundant cardanol and polyimide corrosion inhibitors, which will significantly promote their application in metal anticorrosion.Ceramic materials such as metal oxides, mixed metal oxides and silicates, constitute a broadly-used, high-performance technology for electronic insulators. The introduction of metal cluster dopants and molecular-scale inclusions in a dielectric matrix provides an opportunity for manufacturing new high-κ solid-state dielectrics with tunable field-response properties. The quantum properties of these metallic nanoparticles depend strongly on their size and shape, a characteristic that can be exploited in changing the response properties of a material, whereas the small nanoparticle size can help limit the issues of conduction and current leakage. Here, we model the polarization of molecular-scale silver inclusions in a magnesium oxide matrix, using the Modern Theory of Polarization and Car-Parrinello Molecular Dynamics (CPMD). Details of the implementation are laid out, including handling of current jumps due to the distortion of the matrix during the simulation. Several trends in the dielectric response are considered in this work, including the effects of nanoparticle size, shape and orientation relative to the applied field. Dielectric permittivity enhancements of 30-100% are observed with inclusion sizes varying from 8 to 32 atoms, considering both rod-like and disk-like inclusions, with alignment either parallel or perpendicular to the external field.Thiophene derivatives, namely (E)-thiophene-2-carbaldehyde oxime (OXM) and (E)-5-(thiophen-2-yl)-1H-tetrazole (TET), were synthesized and characterized via 1H and 13C NMR. Furthermore, their inhibitory property for AA2024-T3 in 1 M HCl solution was investigated via electrochemical impedance spectroscopy and potentiodynamic polarization at 293 K, together with DFT/B3LYP-based calculations. Numerous global and local descriptors of reactivity such as EHOMO, ELUMO, energy gap, electronegativity (χ), hardness (η), and frontier molecular orbital repartitions were investigated to describe the reactivity of each molecule. Alternatively, Monte Carlo simulations were performed under the solvation condition on the Al (111) surface to understand the adsorption behavior of the as-studied inhibitors deeply. The inhibition efficiency increased with an increase in the inhibitor concentration, achieving maximum values of 94.0% and 96% at 10-3 M, respectively. The polarization curves showed that the examined compounds act as mixed-type inhibitors. In addition, the adsorption of these compounds obeyed the Al Awady, Flory-Huggins and Temkin isotherms. The surface characterization analysis via SEM/EDX confirmed the presence of a barrier layer covering the aluminum surface. The experimental inhibition efficiencies were correlated with global descriptors, which confirmed that this theoretical study is useful for the protection of aluminum alloy metal in an acidic medium.The conventional Pb-Ag alloy possesses a high oxygen evolution reaction overpotential, poor stability, and short service life in acidic solutions, making it an unsuitable sort of anode material for the zinc electrowinning process. Therefore, a layered carbon-covered cobalt tetroxide (Co3O4@C)-reinforced PbO2-coated electrode is fabricated via a facile two-step pyrolysis-oxidation and subsequent electrodeposition process. As a result, the reinforced PbO2-coated electrode exhibits a low OER overpotential of 517 mV at 500 A m-2 and a Tafel slope of 0.152 V per decade in a zinc electrowinning simulation solution (0.3 M ZnSO4 and 1.53 M H2SO4). The reduced overpotential of 431 mV at 500 A m-2 compared to traditional Pb-0.76%Ag alloy leads to improved energy savings, which is attributable to the presence of Co3O4@C to refine the grain size and thus increase the effective contact area. Moreover, the reinforced PbO2-coated electrode has a prolonged service life of 93 h at 20 000 A m-2 in 1.53 M H2SO4. Therefore, an accessible and efficient strategy for preparing a coated electrode to improve OER performance for zinc electrowinning is presented in this research.Seeds are vulnerable to physical and biological stresses during the germination process. Seed priming strategies can alleviate such stresses. Seed priming is a technique of treating and drying seeds prior to germination in order to accelerate the metabolic process of germination. Multiple benefits are offered by seed priming techniques, such as reducing fertilizer use, accelerating seed germination, and inducing systemic resistance in plants, which are both cost-effective and eco-friendly. For seed priming, cold plasma (CP)-mediated priming could be an innovative alternative to synthetic chemical treatments. CP priming is an eco-friendly, safe and economical, yet relatively less explored technique towards the development of seed priming. In this review, we discussed in detail the application of CP technology for seed priming to enhance germination, the quality of seeds, and the production of crops in a sustainable manner. Additionally, the combination treatment of CP with nanoparticle (NP) priming is also discussed. The large numbers of parameters need to be monitored and optimized during CP treatment to achieve the desired priming results. Here, we discussed a new perspective of machine learning for modeling plasma treatment parameters in agriculture for the development of synergistic protocols for different types of seed priming.A novel power-to-X system, coupling electricity and gas grid in a building, is presented. This system operates a retrofit of the existing photovoltaic system, consuming the electricity overproduction in the local synthesis of methane instead of injecting it into the electricity grid. Methane can be stored in the gas grid and used in winter in the existing gas burners, providing the required heat to keep the building at a comfortable temperature. Additionally, the methanation system provides waste heat that is used to warm up the sanitary water, eliminating the need for an electric boiler. The system, fed by 800 m2 of solar panels, was optimized according to the weather conditions and the dimensions of the main pieces of equipment were determined. This allows the production of ca. 17 MW h of methane for seasonal storage. By retrofitting the building with the power-to-X unit, the energetic independence of the house is maximized, thanks to the synchronous production of electricity, gas, and heat, including energy storage. Therefore, the profitability of the photovoltaic system is ensured independently from the electricity feed-in tariffs. The system performance was evaluated in a case study in the north of Switzerland. When considering the purchase of renewable natural gas (i.e., from biogas), it was calculated that the system would be profitable for an electricity price below 0.05 € per kW h.The conformational and structural stability of n-propanethiol (nP) is revisited owing to the prevailing ambiguity in the literature reported hitherto, and the rationale for 2-propanethiol's (2P) most stable conformers is analyzed. Based on the rotation around the C-C and C-S bonds, four conformers for nP and two conformers for 2-propanethiol (2P) were found to have the lowest energies at the CCSD/cc-pVDZ level of theory. The two conformers of 2P are anti (T), and gauche (G), and those of nP are T-G, G-G, T-T, and G-T. Rotational barriers, geometrical parameters, fundamental vibrational modes, and energy parameters reported herein agree exceedingly well with the reported experimental values for nP and 2P molecules. Furthermore, natural bond orbital (NBO), frontier molecular orbital (FMO), Mulliken charge (MC), electrostatic potential charge (ESP), and vibrational mode analyses were carried out to get a better understanding of both the thiols.Multimodal imaging is a recent idea of combining two or more imaging methods synergistically to overcome the weakness of individual imaging modalities and utilizing complementary benefits. Ultrasound (US) and magnetic resonance imaging (MRI) are widely used imaging techniques in healthcare and to fully utilize the potential of fusion imaging, dual-modal contrast agents are necessary to improve disease diagnosis by enhancing contrast resolution and reducing health risks associated with the dual dosage of contrast agents. In this study, magnetic microbubbles were synthesized by incorporating oleic acid stabilized superparamagnetic iron oxide nanoparticles (OA-SPIONs) into lecithin microbubbles, encapsulating the perfluoropentane (PFP) core. The magnetic microbubbles were characterized by FTIR, SEM, MFM, zeta potential, in vitro MRI, and ultrasound. Upon in vitro MRI, magnetic microbubbles showed a negative contrast effect by producing darker T2 weighted images. Magnetic microbubbles showed concentration-dependent response with a decrease in signal intensity with an increase in the concentration of OA-IONP in microbubbles. However, a decrease in acoustic enhancement was also observed with an increase in OA-IONP concentration, therefore concentration was optimized to achieve the best effect on both modalities. The magnetic lecithin microbubble with 10 mg SPIONs provided the best contrast on both US and MR imaging. The hemocompatibility testing resulted in hemolysis less than 7% with plasma recalcification time and thrombin time of 240 s and 6 s corresponding to excellent hemocompatibility. Thus the magnetic microbubbles with a phase convertible PFP core encapsulated by a lecithin shell loaded with OA-SPIONs can serve as a potential bimodal contrast agent for both US and MRI imaging.Mycobacterium tuberculosis ketol-acid reductoisomerases have been widely studied due to their metabolic importance towards development of drug-resistant bacteria treatment. We here report the biochemical characterization of a new KARI (MtKARI-II) from a Mycobacterium tuberculosis variant with a similar kinetic profile to class I KARIs. Phylogenetic analysis suggested that MtKARI-II is clustered into a class II KARI superfamily.