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Take-home examinations were utilized during the COVID-19 pandemic for upper-level analytical chemistry lecture courses. The questions were often scenarios which required the students to determine the best type of instrument to use and how to go about the experiment. Answers submitted were well thought out and detailed, showing that the students had a good understanding of the material. Student comments revealed a strong appreciation for the exams, as the exams helped them learn and understand the material better.

The low deposition efficiency in directed energy deposition (DED) has prompted the reuse of powders that do not fuse to the builds to make additive manufacturing more sustainable. It is unknown, however, how the properties of the powder and deposited parts change as powders are continuously reused. In this study, AlSi10Mg was investigated for five deposition cycles in DED. Exposing AlSi10Mg powder to DED conditions changes the morphology, size, and flowability. The mechanical properties of AlSi10Mg DED parts decreased after the feedstock powder was reused one time. Notably, no additional significant changes were observed when the powder was further reused.

A preparative approach to thiazole-containing chromone derivatives has been developed by modifying the corresponding aldehydes with their further transformation into propenone derivatives, and finally introducing them into the Algar-Flynn-Oyamada reaction. Several methods for obtaining propenones have been analyzed, and the most effective and practically convenient one has been found. The thiazole-containing analogs of chromones obtained have a great potential as probes for a wide range of studies.

This paper investigates varying the operating conditions of a neural network in a robotic system using a low-cost webcam to achieve optimal settings in order to detect crossed-recess screws on laptops, a necessary step in the realization of automated disassembly systems. A study was performed that varied the lighting conditions, velocity, and number of passes the robot made over the laptop, as well as the network size of a YOLO-v5 neural network. The analysis reveals that specific combinations of operating parameters and neural network configurations can significantly improve detection accuracy. Specifically, the best results for the majority of laptops were obtained when the system ran at medium velocity (10 and 15 mm/s), with a light, and the neural network was run with an extra large network. Additionally, the results show that screw characteristics like the screw hole depth, the presence of a taper in the screw hole, screw hole location, and the color difference between the laptop cover and the screw color impact the system’s overall detection rate, with the most important factor being the depth of the screw.

The human ether-a-go-go-related gene (hERG) potassium channel is a well-known contributor to drug-induced cardiotoxicity and therefore is an extremely important target when performing safety assessments of drug candidates. Ligand-based approaches in connection with quantitative structure active relationships (QSAR) analyses have been developed to predict hERG toxicity. The availability of the recent published cryogenic electron microscopy (cryo-EM) structure for the hERG channel opened the prospect of using structure-based simulation and docking approaches for hERG drug liability predictions. In recent times, the idea of combining structure- and ligand-based approaches for modeling hERG drug liability has gained momentum offering improvements in predictability when compared to ligand-based QSAR practices alone. The present article demonstrates uniting the structure-based SILCS (site-identification by ligand competitive saturation) approach in conjunction with physicochemical properties to develop predictive models for hERG blockade. This combination leads to improved model predictability based on Pearson’s R and percent correct (represents rank-ordering of ligands) metric for different validation sets of hERG blockers involving a diverse chemical scaffold and wide range of pIC50 values. The inclusion of the SILCS structure-based approach allows determination of the hERG region to which compounds bind and the contribution of different chemical moieties in the compounds to the blockade, thereby facilitating the rational ligand design to minimize hERG liability.

The intensive development of nanodevices acting as two-state systems has motivated the search for nanoscale molecular structures whose long-term conformational dynamics are similar to the dynamics of bistable mechanical systems such as Euler arches and Duffing oscillators. Collective synchrony in bistable dynamics of molecular-sized systems has attracted immense attention as a potential pathway to amplify the output signals of molecular nanodevices. Recently, pyridine-furan oligomers of helical shape that are a few nanometers in size and exhibit bistable dynamics similar to a Duffing oscillator have been identified through molecular dynamics simulations. In this article, we present the case of dynamical synchronization of these bistable systems. We show that two pyridine-furan springs connected by a rigid oligomeric bridge spontaneously synchronize vibrations and stochastic resonance enhances the synchronization effect.

There is growing interest in molecular structures that exhibit dynamics similar to bistable mechanical systems. These structures have the potential to be used as two-state operating units for various functional purposes. Particularly intriguing are the bistable systems that display spontaneous vibrations and stochastic resonance. Previously, via molecular dynamics simulations, it was discovered that short pyridine–furan springs in water, when subjected to stretching with power loads, exhibit the bistable dynamics of a Duffing oscillator. In this study, we extend these simulations to include short pyridine–pyrrole and pyridine–furan springs in a hydrophobic solvent. Our findings demonstrate that these systems also display the bistable dynamics, accompanied by spontaneous vibrations and stochastic resonance activated by thermal noise.

One of the emerging water desalination techniques relies on the compression of a polyelectrolyte gel. The pressures needed reach tens of bars, which are too high for many applications, damage the gel and prevent its reuse. Here, we study the process by means of coarse-grained simulations of hydrophobic weak polyelectrolyte gels and show that the necessary pressures can be lowered to only a few bars. We show that the dependence of applied pressure on the gel density contains a plateau indicating a phase separation. The phase separation was also confirmed by an analytical mean-field theory. The results of our study show that changes in the pH or salinity can induce the phase transition in the gel. We also found that ionization of the gel enhances its ion capacity, whereas increasing the gel hydrophobicity lowers the pressure required for gel compression. Therefore, combining both strategies enables the optimization of polyelectrolyte gel compression for water desalination purposes.

A method for the synthesis of ZnO nanoparticles (ZnO NPs) gels was developed. ZnO NPs were obtained through a sol–gel method with zinc acetate usage as a precursor. Optimization of the method of synthesis of ZnO NPs gel has been carried out. It was observed that the most stable ZnO NPs gels are formed at room temperature, pH = 8 and molar concentration of zinc C(Zn2+) = 0.05–0.2 M. It was shown that the addition of polysaccharide significantly affects the rheological properties and microstructure of ZnO NPs gels. We found that the optimal polysaccharide for the synthesis of ZnO NPs gels is hydroxyethyl cellulose. It is shown that the microstructure of a gel of ZnO NPs stabilized with hydroxyethyl cellulose is represented by irregularly shaped particles that are assembled into aggregates, with sizes ranging from 150 to 1400 nm. A significant hysteresis region is observed in a gel of ZnO NPs stabilized with hydroxyethyl cellulose. The process of interaction of ZnO NPs with polysaccharides was investigated. It was shown that the interaction of ZnO NPs with polysaccharides occurs through a charged hydroxyl group. In the experiment, a sample of a gel of ZnO NPs modified with hydroxyethyl cellulose was tested. It was shown that the gel of ZnO NPs modified with hydroxyethyl cellulose has a pronounced regenerative effect on burn wounds, which is significantly higher than that of the control group and the group treated with a gel of ZnO microparticles (MPs) and hydroxyethyl cellulose. It is also shown that the rate of healing of burn wounds in animals treated with gel of ZnO nanoparticles with hydroxyethyl cellulose (group 3) is 16.23% higher than in animals treated with gel of ZnO microparticles with hydroxyethyl cellulose (group 2), and 24.33% higher than in the control group treated with hydroxyethyl cellulose. The average rate of healing of burn wounds for the entire experimental period in experimental animals of group 3 is 1.26 and 1.54 times higher than in animals of group 2 and control group, respectively. An experimental study of a gel of ZnO NPs modified with hydroxyethyl cellulose has shown the effectiveness of its use in modeling the healing of skin wounds through primary tension.

Semiconductor devices of quantum electronics based on InP/GaInAsP heterostructures require the creation of non-defective chips for emitting devices and photodetectors. The production of such chips is impossible without a thorough technological study of the growth processes of epitaxial structures. One of the important problems in relation to the growth of such structures is the growth defects associated with the process of dissociation of indium phosphide on the surface during their growth. The aim of the work was the investigation of the process and mechanism of destruction (dissociation) of the surface of indium phosphide substrates in the range of growth temperatures of structures, as well as the study of methods and techniques that allow minimize the process of dissociation of surface of indium phosphide. The work provides studies of the growth processes of InP/GaInAsP heterostructures, from the liquid phase, taking into account the degradation processes of the growth surface and the mechanisms for the formation of dissociation defects. The schemes of the dissociation process of the InP on the surface of the substrate and the formation of the defective surface of the substrate were analysed. At the same time, technological methods allowing to minimize the dissociation of the surface compound during the process of liquid-phase epitaxy were shown. The original design of a graphite cassette allowing to minimize the dissociation of the indium phosphide substrate in the process of liquid-phase epitaxy was proposed

The structure and chemical composition of grain boundaries in GaSb magnetic semiconductors have been investigated. We determined that quenching of the GaSb melt with 2% Mn results in the formation of a textured polycrystal (111). The grain boundaries of the texture are formed by split 60 degree dislocations with dislocation lines. Microinclusions based on the ferromagnetic compound MnSb are located on the stacking faults of split dislocations. The chemical compositions of microinclusions differ, but their average composition is close to Mn1.1Sb. The synthesized GaSb is a soft ferromagnet with a coercive force of 10 Oe and a magnetic state approaching superparamagnetic

High-temperature ferromagnets are widely used on a practical level. Based on them, magnetic memory for computers and various types of magnetic field sensors are created. Therefore, bulk ingots and thin-film samples of ferromagnet manganese antimonide (MnSb) with a high Curie point are of great interest, both from the practical and fundamental sides. Manganese antimonide films are obtained in hybrid structures using molecular-beam epitaxy. The thickness of the films does not exceed tens of nanometers. Despite their high sensitivity to magnetic fields, their small thickness prevents them from being used as magnetic field sensors. The aim of this work was to synthesise thick bulk ingots of manganese antimonide crystals and films with a thickness of ~ 400 nm on sitall and silicon substrates. MnSb crystals were synthesised using the vacuum-ampoule method and identified using XRD, DTA, and microstructural analysis. The results of studies of bulk samples indicated the presence of an insignificant amount of antimony in addition to the MnSb phase. According to the DTA thermogram of the MnSb alloy, a small endothermic effect was observed at 572 °C, which corresponds to the melting of the eutectic on the part of antimony in the Mn-Sb system. Such composition, according to previous studies, guaranteed the production of manganese antimonide with the maximum Curie temperature. A study of the magnetic properties showed that the synthesised MnSb crystals were a soft ferromagnet with the Curie point ~ 587 K. Thin MnSb films were obtained by an original method using separate sequential deposition in a high vacuum of the Mn and Sb metals with their subsequent annealing. To optimise the process of obtaining films with stoichiometric composition, the dependences of the thickness of metal films on the parameters of the deposition process were calculated. The temperature range of annealing at which the metals interact with the formation of ferromagnetic MnSb films was established, the films were identified, and their electrical and magnetic properties were measured

The effect of various planes was studied when growing epitaxial layers by liquid-phase epitaxy (LPE) on the profiled InP substrates. The studies allowed obtaining buried heterostructures in the InP/InGaAsP system and creating highly efficient laser diodes and image sensors. It was found that protruding mesa strips or in-depth mesa strips in the form of channels formed by the {111}А, {111}B, {110}, {112}A, or {221}A family of planes can be obtained with the corresponding selection of an etching agent, strip orientation, and a method of obtaining a masking coating. It was noted that in the case of the polarity of axes being in the direction of , the cut of mesa strips was conducted along the most densely packaged planes. This cut led to the difference in rates of both chemical etching and epitaxial burying of profiled surfaces. The cut was made along the planes at a low dissolution rate {111}A for a sphalerite lattice, to which the studied material, indium phosphide, belongs. Analysis of planes {110} and {Ī10} showed that the location of the most densely packaged planes {111}A and {111}B relative to them is different.

In recent years, the chemistry of flavonoid glycosylation has undergone significant developments. This mini-review is devoted to summarizing existing strategies and methods for glycosylation of natural and synthetic flavonoids. Herein we overviewed the reaction conditions of flavonoid glycosylation depending on the position of hydroxyl groups in a parent molecule, the degree of it conjugation with the π-system, the presence of steric factors, the formation of intramolecular hydrogen bonds, etc. Especial attention was given to the choice of the glycosyl donor moiety, which has a significant effect on the yield of the final glycosidated products. Finally, a general strategy for regioselective glycosylation of flavonoids containing several hydroxyl groups is outlined.

We study the transport properties of HgTe quantum wells with critical well thickness, where the band gap is closed and the low energy spectrum is described by a single Dirac cone. In this work, we examined both macroscopic and micron-sized (mesoscopic) samples. In micron-sized samples, we observe a magnetic-field-induced quantized resistance (~h/2e) at Landau filling factor ν=0, corresponding to the formation of helical edge states centered at the charge neutrality point (CNP). In macroscopic samples, the resistance near a zero Landau level (LL) reveals strong oscillations, which we attribute to scattering between the edge ν=0 state and bulk ν≠0 hole LL. We provide a model taking an empirical approach to construct a LL diagram based on a reservoir scenario, formed by the heavy holes.

The synthesis of bacterial cellulose (BC) by Komagataeibacter xylinus strain B-12068 was investigated on various C-substrates, under submerged conditions with stirring and in static surface cultures. We implemented the synthesis of BC on glycerol, glucose, beet molasses, sprat oil, and a mixture of glucose with sunflower oil. The most productive process was obtained during the production of inoculum in submerged culture and subsequent growth of large BC films (up to 0.2 m2 and more) in a static surface culture. The highest productivity of the BC synthesis process was obtained with the growth of bacteria on molasses and glycerol, 1.20 and 1.45 g/L per day, respectively. We obtained BC composites with silver nanoparticles (BC/AgNPs) and antibacterial drugs (chlorhexidine, baneocin, cefotaxime, and doripenem), and investigated the structure, physicochemical, and mechanical properties of composites. The disc-diffusion method showed pronounced antibacterial activity of BC composites against E. coli ATCC 25922 and S. aureus ATCC 25923.

The thermoelectric response of 80 nm-thick strained HgTe films of a three-dimensional topological insulator (3D TI) has been studied experimentally. An ambipolar thermopower is observed where the Fermi energy moves from conducting to the valence bulk band. The comparison between theory and experiment shows that the thermopower is mostly due to the phonon drag contribution. In the region where the 2D Dirac electrons coexist with bulk hole states, the Seebeck coefficient is modified due to 2D electron–3D hole scattering.

The intensive development of nanodevices acting as two-state systems has motivated the search for nanoscale molecular structures whose dynamics are similar to those of bistable mechanical systems, such as Euler arches and Duffing oscillators. Of particular interest are the molecular structures capable of spontaneous vibrations and stochastic resonance. Recently, oligomeric molecules that were a few nanometers in size and exhibited the bistable dynamics of an Euler arch were identified through molecular dynamics simulations of short fragments of thermo-responsive polymers subject to force loading. In this article, we present molecular dynamics simulations of short pyridine-furan springs a few nanometers in size and demonstrate the bistable dynamics of a Duffing oscillator with thermally-activated spontaneous vibrations and stochastic resonance.

A technology for producing a nanocomposite based on the borsiloxane polymer and chemically unmodified fullerenes has been developed. Nanocomposites containing 0.001, 0.01, and 0.1 wt% fullerene molecules have been created. It has been shown that the nanocomposite with any content of fullerene molecules did not lose the main rheological properties of borsiloxane and is capable of structural self-healing. The resulting nanomaterial is capable of generating reactive oxygen species (ROS) such as hydrogen peroxide and hydroxyl radicals in light. The rate of ROS generation increases with an increase in the concentration of fullerene molecules. In the absence of light, the nanocomposite exhibits antioxidant properties. The severity of antioxidant properties is also associated with the concentration of fullerene molecules in the polymer. It has been shown that the nanocomposite upon exposure to visible light leads to the formation of long-lived reactive protein species, and is also the reason for the appearance of such a key biomarker of oxidative stress as 8-oxoguanine in DNA. The intensity of the process increases with an increase in the concentration of fullerene molecules. In the dark, the polymer exhibits weak protective properties. It was found that under the action of light, the nanocomposite exhibits significant bacteriostatic properties, and the severity of these properties depends on the concentration of fullerene molecules. Moreover, it was found that bacterial cells adhere to the surfaces of the nanocomposite, and the nanocomposite can detach bacterial cells not only from the surfaces, but also from wetted substrates. The ability to capture bacterial cells is primarily associated with the properties of the polymer; they are weakly affected by both visible light and fullerene molecules. The nanocomposite is non-toxic to eukaryotic cells, the surface of the nanocomposite is suitable for eukaryotic cells for colonization. Due to the combination of self-healing properties, low cytotoxicity, and the presence of bacteriostatic properties, the nanocomposite can be used as a reusable dry disinfectant, as well as a material used in prosthetics.

Orthopedic implants requiring osseointegration are often surface modified; however, implants may shed these coatings and generate wear debris leading to complications. Titanium nanotubes (TiNT), a new surface treatment, may promote osseointegration. In this study, in vitro (rat marrow-derived bone marrow cell attachment and morphology) and in vivo (rat model of intramedullary fixation) experiments characterized local and systemic responses of two TiNT surface morphologies, aligned and trabecular, via animal and remote organ weight, metal ion, hematologic, and nondecalcified histologic analyses. In vitro experiments showed total adherent cells on trabecular and aligned TiNT surfaces were greater than control at 30 min and 4 h, and cells were smaller in diameter and more eccentric. Control animals gained more weight, on average; however, no animals met the institutional trigger for weight loss. No hematologic parameters (complete blood count with differential) were significantly different for TiNT groups vs. control. Inductively coupled plasma mass spectrometry (ICP-MS) showed greater aluminum levels in the lungs of the trabecular TiNT group than in those of the controls. Histologic analysis demonstrated no inflammatory infiltrate, cytotoxic, or necrotic conditions in proximity of K-wires. There were significantly fewer eosinophils/basophils and neutrophils in the distal region of trabecular TiNT-implanted femora; and, in the midshaft of aligned TiNT-implanted femora, there were significantly fewer foreign body giant/multinucleated cells and neutrophils, indicating a decreased immune response in aligned TiNT-implanted femora compared to controls.