Optimization of wear parameters for ECAP-processed ZK30 alloy using response surface and machine learning approaches: a comparative study.

The present research applies different statistical analysis and machine learning (ML) approaches to predict and optimize the processing parameters on the wear behavior of ZK30 alloy processed through equal channel angular pressing (ECAP) technique. Firstly, The ECAPed ZK30 billets have been examined at as-annealed (AA), 1-pass, and 4-passes of route Bc (4Bc). Then, the wear output responses in terms of volume loss (VL) and coefficient of friction (COF) have been experimentally investigated by varying load pressure (P) and speed (V) using design of experiments (DOE). In the second step, statistical analysis of variance (ANOVA), 3D response surface plots, and ML have been employed to predict the output responses. Subsequently, genetic algorithm (GA), hybrid DOE-GA, and multi-objective genetic algorithm techniques have been used to optimize the input variables. The experimental results of ECAP process reveal a significant reduction in the average grain size by 92.7% as it processed through 4Bc compared to AA counterpart. Furthermore, 4Bc exhibited a significant improvement in the VL by 99.8% compared to AA counterpart. Both regression and ML prediction models establish a significant correlation between the projected and the actual data, indicating that the experimental and predicted values agreed exceptionally well. The minimal VL at different ECAP passes was obtained at the highest condition of the wear test. Also, the minimal COF for all ECAP passes was obtained at maximum wear load. However, the optimal speed in the wear process decreased with the number of billets passes for minimum COF. The validation of predicted ML models and VL regression under different wear conditions have an accuracy range of 70-99.7%, respectively.

Improved corrosion resistance and mechanical properties of severely deformed ZM31 alloy.

The hexagonal close-packed (HCP) crystal structure of Mg alloys lead to poor formability as well as other undesirable mechanical behaviors in an otherwise highly sought-after alloy for commercial use. This study investigates the evolution of microstructure, texture, corrosion and mechanical behaviors in Mg-Zn-Mn (ZM31) alloy after processing using Equal Channel Angular Pressing (ECAP). Dynamic recrystallization was evident in the ECAP-processed samples, correlated with a substantial fiber structure, and resulted in the attainment of notable grain refinement and high lattice strain. Average grain sizes of 2.2 and 2 µm were achieved via 2 and 4-Pass Bc processing, respectively. This significant refinement yielded lower corrosion rates through enhancement of the thickness, coherency, and stability of formed protective oxide layers. The corrosion rate in the NaCl medium was substantially enhanced by 99.5% after four passes via route Bc. The recrystallized fine structure was found to have contributed to yield strength, ultimate strength, and microhardness improvements. Deformation enhanced yield and ultimate strengths by 132% and 64%, respectively. The distinctive grain refinement mechanism exhibited through the current ECAP procedure has potential to pave the way for novel and impactful utilizations of ZM31 in industries that demand exceptional mechanical and corrosion performance.

Synthesis and Characterization of a New Class of Chromene-Azo Sulfonamide Hybrids as Promising Anticancer Candidates with the Exploration of Their EGFR, hCAII, and MMP-2 Inhibitors Based on Molecular Docking Assays.

In this study, novel selective antitumor compounds were synthesized based on their fundamental pharmacophoric prerequisites associated with EGFR inhibitors. A molecular hybridization approach was employed to design and prepare a range of 4H-chromene-3-carboxylates 7a-g, 8, and 11a-e derivatives, each incorporating a sulfonamide moiety. The structures of these hybrid molecules were verified using comprehensive analytical and spectroscopic techniques. During the assessment of the newly synthesized compounds for their anticancer properties against three tumor cell lines (HepG-2, MCF-7, and HCT-116), compounds 7f and 7g displayed remarkable antitumor activity against all tested cell lines, outperforming the reference drug Cisplatin in terms of efficacy. Consequently, these promising candidates were selected for further investigation of their anti-EGFR, hCAII, and MMP-2 potential, which exhibited remarkable effectiveness against EGFR and MMP2 when compared to Sorafenib. Additionally, docking investigations regarding the EGFR binding site were implemented for the targeted derivatives in order to attain better comprehension with respect to the pattern in which binding mechanics occur between the investigated molecules and the active site, which illustrated a higher binding efficacy in comparison with Sorafenib.

Investigation of the Effect of ECAP Parameters on Hardness, Tensile Properties, Impact Toughness, and Electrical Conductivity of Pure Cu through Machine Learning Predictive Models.

Copper and its related alloys are frequently adopted in contemporary industry due to their outstanding properties, which include mechanical, electrical, and electronic applications. Equal channel angular pressing (ECAP) is a novel method for producing ultrafine-grained or nanomaterials. Modeling material design processes provides exceptionally efficient techniques for minimizing the efforts and time spent on experimental work to manufacture Cu or its associated alloys through the ECAP process. Although there have been various physical-based models, they are frequently coupled with several restrictions and still require significant time and effort to calibrate and enhance their accuracies. Machine learning (ML) techniques that rely primarily on data-driven models are a viable alternative modeling approach that has recently achieved breakthrough achievements. Several ML algorithms were used in the modeling training and testing phases of this work to imitate the influence of ECAP processing parameters on the mechanical and electrical characteristics of pure Cu, including the number of passes (N), ECAP die angle (φ), processing temperature, and route type. Several experiments were conducted on pure commercial Cu while altering the ECAP processing parameters settings. Linear regression, regression trees, ensembles of regression trees, the Gaussian process, support vector regression, and artificial neural networks are the ML algorithms used in this study. Model predictive performance was assessed using metrics such as root-mean-squared errors and R2 scores. The methodologies presented here demonstrated that they could be effectively used to reduce experimental effort and time by reducing the number of experiments runs required to optimize the material attributes aimed at modeling the ECAP conditions for the following performance characteristics: impact toughness (IT), electrical conductivity (EC), hardness, and tensile characteristics of yield strength (σy), ultimate tensile strength (σu), and ductility (Du).

Optimizing the ECAP Parameters of Biodegradable Mg-Zn-Zr Alloy Based on Experimental, Mathematical Empirical, and Response Surface Methodology.

Experimental investigations were conducted on Mg-3Zn-0.6Zr alloy under different ECAP conditions of number of passes, die angles, and processing route types, aimed at investigating the impact of the ECAP parameters on the microstructure evolution, corrosion behavior, and mechanical properties to reach optimum performance characteristics. To that end, the response surface methodology (RSM), analysis of variance, second-order regression models, genetic algorithm (GA), and a hybrid RSM-GA were utilized in the experimental study to determine the optimum ECAP processing parameters. All of the anticipated outcomes were within a very small margin of the actual experimental findings, indicating that the regression model was adequate and could be used to predict the optimization of ECAP parameters. According to the results of the experiments, route Bc is the most efficient method for refining grains. The electrochemical impedance spectroscopy results showed that the 4-passes of route Bc via the 120°-die exhibited higher corrosion resistance. Still, the potentiodynamic polarization results showed that the 4-passes of route Bc via the 90°-die demonstrated a better corrosion rate. Furthermore, the highest Vicker's microhardness, yield strength, and tensile strength were also disclosed by four passes of route Bc, whereas the best ductility at fracture was demonstrated by two passes of route C.

Effect of ECAP Route Type on the Microstructural Evolution, Crystallographic Texture, Electrochemical Behavior and Mechanical Properties of ZK30 Biodegradable Magnesium Alloy.

In this study, billets of the ZK30 (Mg-3Zn-0.6 Zr-0.4 Mn, wt%) alloy were Equal Channel Angle Pressing (ECAP) processed for up to four passes of routes Bc (with rotating the sample 90° in the same direction between the subsequent passes), A (without sample rotation), and C (with sample rotating 180°) after each pass at a temperature of 250 °C and a ram speed of 10 mm/min using a die with an internal channel angle of 90°. The microstructural evolution and the crystallographic texture were investigated using a Scanning Electron Microscope (SEM) equipped with the Electron Back-Scatter Diffraction (EBSD) technique. Corrosion measurements were conducted in ringer lactate which is a simulated body fluid. The Vickers microhardness test and tensile tests were conducted for the alloy before and after processing. The as-annealed billets exhibited a bimodal structure as fine grains (more than 3.39 µm) coexisted with almost-equiaxed coarse grains (less than 76.73 µm); the average grain size was 26.69 µm. Further processing until four passes resulted in enhanced grain refinement and full Dynamic Recrystallization (DRX). ECAP processing through 4-Bc, 4-A, and 4-C exhibited significant reductions in grain size until they reached 1.94 µm, 2.89 µm, and 2.25 µm, respectively. Four-pass processing also resulted in the transformation of low-angle grain boundaries into high-angle grain boundaries. The previous conclusion was drawn from observing the simultaneous decrease in the fraction of low-angle grain boundaries and an increase in the fraction of high-angle grain boundaries. The pole figures revealed that 4-Bc, 4-A, and 4-C reduced the maximum texture intensity of the as-annealed billets. The potentiodynamic polarization findings revealed that route Bc is the most effective route in improving the corrosion rate, whereas the Electrochemical Impedance Spectroscopy (EIS) revealed that routes A and Bc improved the corrosion resistance with nearly identical values. Finally, 4-Bc resulted in the highest increase in Vickers hardness, yield stress, and ultimate tensile strength with values of 80.8%, 19.3%, and 44.5%, alongside a 31% improvement in ductility, all compared to the AA condition.

Reply to Zandi, M.; Soltani, S. Comment on "Alfassam et al. Development of a Colorimetric Tool for SARS-CoV-2 and Other Respiratory Viruses Detection Using Sialic Acid Fabricated Gold Nanoparticles. Pharmaceutics 2021, 13, 502".

When COVID-19 was first announced back in 2019, there were vast number of attempts to halt the progression of the SARS-CoV-2 virus once and for all [...].

Influence of Ultrafine-Grained Microstructure and Texture Evolution of ECAPed ZK30 Magnesium Alloy on the Corrosion Behavior in Different Corrosive Agents.

Magnesium-Zinc-Zirconium (Mg-Zn-Zr) alloys have caught considerable attention in medical applications where biodegradability is critical. The combination of their good biocompatibility, improved strength, and low cytotoxicity makes them great candidates for medical implants. This research investigation is focused on providing further insight into the effects of equal channel angular processing (ECAP) on the corrosion behavior, microstructure evolution, and mechanical properties of a biodegradable ZK30 alloy. Billets of Mg-3Zn-0.6 Zr (ZK30) alloy were processed through ECAP up to 4 passes of route Bc (rotating the billets 90° in the same direction between the subsequent passes) at 250 °C. Electron back-scatter diffraction (EBSD) was utilized to investigate the microstructural evolution as well as the crystallographic texture. Several electrochemical measurements were carried out on both a simulated body fluid and a 3.5% sodium chloride (NaCl) solution. Mechanical properties such as Vicker's hardness and tensile properties were also assessed. The as-annealed (AA) microstructure was dominated by equiaxed coarse recrystallized grains with an average grain size of 26.69 µm. After processing, a geometric grain subdivision took place due to the severe plastic deformation. Processed samples were characterized by grain refinement and high density of substructures. The 4-passes sample experienced a reduction in the grain size by 92.8% compared with its AA counterpart. The fraction of high-angle grain boundaries increased significantly after 4-passes compared to the 1-pass processed sample. With regards to the crystallographic texture, the AA condition had its {0001} basal planes mostly oriented parallel to the transversal direction. On the other hand, ECAP processing resulted in crystallographic texture changes, such as the shifting of the ZK30 shear plane to be aligned at 45° relative to the extrusion direction (ED). Furthermore, the maximum texture intensity was reduced from 14 times random (AA billets) to 8 times random after ECAP processing through 4-passes. The corrosion rate of the 4-passes sample was tremendously reduced by 99% and 45.25% compared with its AA counterpart in the simulated body fluid and the NaCl solution, respectively. The pitting corrosion resistance of ZK30 showed notable improvements in the simulated body fluid by 471.66% and 352% during processing through 1-pass and 4-passes, respectively, compared with the 3.5% NaCl findings. Finally, significant improvements in the tensile strength, hardness, and ductility were also achieved.

The Effect of ECAP Processing Conditions on Microstructural Evolution and Mechanical Properties of Pure Magnesium-Experimental, Mathematical Empirical and Response Surface Approach.

In this study, a quantitative evaluation approach was used to investigate how certain ECAP processing parameters affect the microstructural evolution, Vicker's microhardness values and tensile properties of pure Mg. The ECAP processing parameters were number of passes, ECAP die channel angle and processing route type. The response surface methodology (RSM) technique was used to design 16 runs of the experiment using Stat-Ease design expert software. Billets of pure Mg were processed up to four passes of routes Bc, A and C at 225 °C. Two ECAP dies were used with internal channel angles of 90° and 120°. Experimental findings were used to establish empirical models to assess the influence of the ECAP processing parameters on grain size and mechanical properties of ECAPed billets. The established relationships were examined and validated for their adequacy and significance using ANOVA as well as several statistical criteria. Response surface plots and contour graphs were established to offer better understanding of the intended relationships. In addition, the optimum processing parameters for grain size, hardness values and tensile properties were defined. Both experimental results and the theoretical model revealed that route Bc is the most effective route in grain refining. The experimental findings showed that four passes of route Bc through the die channel angle 90° revealed a significant reduction in the grain size by 86% compared to the as-annealed counterparts. Similar to the grain size refining, four-passes processing through the ECAP die with an internal channel angle of 90° leads to improved Vicker's microhardness values. Additionally, four passes of route Bc using the 90° die angle recorded a significant HV increase at the edge and central areas by 112% and 78%, respectively, compared to the as-annealed counterpart. On the other hand, according to the optimization findings, two passes of route Bc using a die angle of 120° resulted in the best ultimate tensile strength for pure Mg, whereas four passes of route Bc revealed the optimum ductility at fracture.

Electrochemical Behavior of SiC-Coated AA2014 Alloy through Plasma Electrolytic Oxidation.

In this study, the corrosion performance of AA2014 aluminum alloy was enhanced by coating the alloy with a layer containing silica (SiC) that was formed by the plasma electrolytic oxidation (PEO) process. The PEO process was performed with different electrical parameters (frequency, current mode, and duty ratio) and both with and without SiC to investigate the microstructural and electrochemical differences in the coated samples produced from the process. The microstructure and composition of the PEO coatings were studied using X-ray diffraction (XRD) and scanning electron microscopy (SEM) with energy dispersive spectroscopy (EDS). A potentiodynamic polarization test and electrochemical impedance spectroscopy (EIS) were used to investigate the electrochemical behavior of the AA2014-PEO-coated samples. The potentiodynamic polarization showed that the SiC-PEO-coated samples had a significantly decreased corrosion rate (99.8%) compared with the uncoated AA2014 Al alloy. Our results showed that the coats containing SiC possessed a much higher corrosion resistance than both the uncoated AA2014 Al alloy (8,344,673%) and the SiC-free coatings, which possess low corrosion resistance, because of their higher chemical stability and more compact microstructure.

Development of a Colorimetric Tool for SARS-CoV-2 and Other Respiratory Viruses Detection Using Sialic Acid Fabricated Gold Nanoparticles.

Sialic acid that presents on the surface of lung epithelial cells is considered as one of the main binding targets for many respiratory viruses, including influenza and the current coronavirus (SARS-CoV-2) through the viral surface protein hemagglutinin. Gold nanoparticles (Au NPs) are extensively used in the diagnostic field owing to a phenomenon known as 'surface plasmonic resonance' in which the scattered light is absorbed by these NPs and can be detected via UV-Vis spectrophotometry. Consequently, sialic acid conjugated Au NPs (SA-Au NPs) were utilized for their plasmonic effect against SARS-CoV-2, influenza B virus, and Middle-East respiratory syndrome-related coronavirus (MERS) in patients' swab samples. The SA-Au NPs system was prepared by a one-pot synthesis method, through which the NPs solution color changed from pale yellow to dark red wine color, indicting its successful preparation. In addition, the SA-Au NPs had an average particle size of 30 ± 1 nm, negative zeta potential (-30 ± 0.3 mV), and a UV absorbance of 525 nm. These NPs have proven their ability to change the color of the NPs solutions and patients' swabs that contain SARS-CoV-2, influenza B, and MERS viruses, suggesting a rapid and straightforward detection tool that would reduce the spread of these viral infections and accelerate the therapeutic intervention.

Antibiotic Adsorption by Metal-Organic Framework (UiO-66): A Comprehensive Kinetic, Thermodynamic, and Mechanistic Study.

Bacterial antibiotic resistance has been deemed one of the largest modern threats to human health. One of the root causes of antibiotic resistance is the inability of traditional wastewater management techniques, such as filtration and disinfection, to completely eliminate residual antibiotics from domestic and industrial effluents. In this study, we examine the ability of UiO-66; a metal-organic framework (MOF); in removing the antibiotic Doxycycline from aqueous environments. This study's findings suggest that UiO-66 was able to remove nearly 90% of the initial Doxycycline concentration. To correlate the isothermal data, Langmuir and Freundlich models were used. It was determined that the Langmuir model was best suited. Pseudo-first and -second order models were examined for kinetic data, where the pseudo-second order model was best suited-consistent with the maximum theoretical adsorption capacity found by the Langumir model. Thermodynamic analysis was also examined by studying UiO-66 adsorption under different temperatures. Mechanisms of adsorption were also analyzed through measuring adsorption at varying pH levels, thermogravimetric analysis (TGA), Infrared spectroscopy (IR) and Brunauer-Emmet-Teller (BET). This study also explores the possibility of recycling MOFs through exposure to gamma radiation, heat, and heating under low pressure, in order for UiO-66 to be used in multiple, consecutive cycles of Doxycycline removal.