New homogeneous bilayer membranes with a thin anion-exchange layer have been developed based on the copolymer of N,N-diallyl-N,N-dimethylammonium chloride (DADMAC) and ethyl methacrylate (EMA) on the surface of a membrane substrate made from polyfluorosulfonic acid (PFSA). The overall and partial current-voltage characteristics, as well as external and internaldiffusion limiting currents, were theoretically and experimentally investigated. Parameters such as specific conductivity, sorption, and diffusion permeability of individual membrane layers were determined, along with effective transport numbers and specific permselectivity of the bilayer homogeneous membranes in mixed solutions of calcium chloride and sodium chloride. It was found that applying a thin anion-exchange layer of DADMAC and EMA to the homogeneous membrane allows for the creation of a charge-selective bilayer membrane with enhanced selectivity towards monovalent metal cations. The specific selectivity of the bilayer membrane for sodium cations increases more than 6-fold (from 0.8 to 4.8). Verification of the obtained experimental data was performed within a four-layer mathematical model with quasi-equilibrium boundary conditions for the diffusion layer (I)/modifying layer (II)/membrane substrate (III)/diffusion layer (IV) in ternary NaCl+CaCl2 solutions.

Temperature and pressure sensors currently encounter challenges such as slow response times, large sizes, and insufficient sensitivity. To address these issues, we developed tetraphenylethylene (TPE)-doped polyvinylidene fluoride (PVDF) nanofiber membranes using electrospinning, with process parameters optimized through a convolutional neural network (CNN). We systematically analyzed the effects of PVDF concentration, spinning voltage, tip-to-collector distance, and flow rate on fiber morphology and diameter. The CNN model achieved high predictive accuracy, resulting in uniform and smooth nanofibers under optimal conditions. Incorporating TPE enhanced the hydrophobicity and mechanical properties of the nanofibers. Additionally, the fluorescent properties of the TPE-doped nanofibers remained stable under UV exposure and exhibited significant linear responses to temperature and pressure variations. The nanofibers demonstrated a temperature sensitivity of -0.976 gray value/°C and pressure sensitivity with an increase in fluorescence intensity from 537 a.u. to 649 a.u. under 600 g pressure. These findings highlight the potential of TPE-doped PVDF nanofiber membranes for advanced temperature and pressure sensing applications.

Aloe vera is well known for its biological properties as a bioflavonoid-anti-inflammatory, antibacterial agent. It has been used frequently in the food sector as food coating for its hygroscopic properties and as an ingredient in the lucrative industry. Studies have also included Aloe vera as an eco-friendly green solution based on these properties. The current research focuses on the use of Aloe vera gel in printing pastes as an alternative sustainable solution to synthetic thickeners, evaluating its wet performance and ease of fabric stitching, and has been inspired by studies that similarly used this substance measuring its effect on the fabric's coefficient of friction and antimicrobial action. In the current study, printing pastes with natural colourants and Aloe vera gel thickener derived from natural leaves from Crete increased the fabric's mechanical resistance to abrasion compared to the untreated pastes. The measured performance did not differ substantially from prints with traditional synthetic pastes, hence tolerating the substitution with the non-contaminant variant. The enhanced resistance to abrasion and wear prolongates the fabric's serviceable life and resulting garments, decreasing the need for high industry processing volumes and, as a result, reducing pollution. The resistance to wear was evaluated using the dominant method in textile testing of the Martindale apparatus, which measured the cycles to failure, weight loss, and general appearance deterioration using the official photographic standards.

Chagas disease (CD) is a neglected tropical parasitic disease caused by the protozoan Trypanosoma cruzi. Unfortunately, the current etiological treatment for CD is unsatisfactory, due to the high toxicity and low cure efficacy of compounds, mainly during the chronic phase of this disease. Thus, the discovery of new drugs for the treatment of CD is urgent. In the present study, we report the synthesis of a series of guanidines and its evaluation in in vitro assays to determine the trypanocidal effects on the Tulahuen T. cruzi strain, transfected with a β-galactosidase reporter gene, in comparison to the cytotoxic effects on vertebrate cells. The most potent and selective compounds LQOF-G1 and LQOF-G29 were considered good drug prototypes and candidates for in vivo tests using mice. Both compounds possess an electron withdrawing group on the aniline moiety, namely a NO2 and Br group, respectively, which effectively decrease the electron density. LQOF-G29 stands out among the investigated compounds due to the replacement of the benzyl group by methyladamantane.

Since the discovery of the phenomenon of surface-enhanced Raman scattering (SERS), it has gradually become an important tool for the analysis of material compositions and structures. The applications of SERS have been expanded from the fields of environmental and materials science to biomedicine, due to the extremely high sensitivity and non-destructiveness of SERS-based analytical technology that even allows single molecule detection. This article provides a comprehensive overview of Surface-Enhanced Raman Scattering (SERS) phenomenon. The content is divided into several main sections: basic principles and the significance of Raman spectroscopy; historical advancements and technological progress in SERS, as well as various practical applications across different fields. We also discussed how electromagnetic fields contribute to the SERS effect, the role of chemical interactions in enhancing Raman signals, modeling and computational approaches to understand and predict SERS effects.

The study reveals correlations between the parameters of ions and their HOMO and LUMO orbital energy level values. In particular, it demonstrates a clear correlation for the ion adsorption parameters on model electrodes: the aluminum oxide (0001) surface, graphene and Au (111) surface. Correlations are also observed for the parameters of ion binding to water and dimethyl carbonate molecules, which are often used as solvents. In addition, the dipole moment, polarizability and solvation energy of ions are well correlated with the values of the molecular orbital energies, and for anions a dependence on the oxidation potential is observed. The obtained descriptors make it possible to select ions with desired values for a specific problem. As an illustrative example, in this work we consider the problem of displacement of water molecules from the inner electric double layer by ions, which is one of the factors increasing the potential window in electrolytes of aqueous batteries. This approach can be applied in the rapidly developing field of aqueous electrolytes for battery or supercapacitor design, catalysis control through surface composition variations, as well as in studies of heavy metal ion binding to sorption materials.

In this study, a novel oral formulation of berberine hydrochloride (BBH) hydrogel was successfully synthesized through physical cross-linking using chitosan (CS) and carboxymethyl-β-cyclodextrin (CMCD). The characterization results confirmed the successful synthesis of CS/CMCD hydrogel and the subsequent loading of BBH into this composite (CS/CMCD/BBH) was effectively accomplished. BBH was used as a model drug and the resulting hydrogel demonstrated a sustained drug release profile. In addition to its improved solubility and sustained release characteristics, the hydrogel exhibited excellent antibacterial activity against common pathogens such as Escherichia coli (E. coli), Staphylococcus aureus (S. aureus), and Candida albicans (C. albicans). Additionally, in vitro studies indicated that the hydrogel was not cytotoxic to NIH3T3 and HaCaT cells, suggesting its safety for biomedical applications. This lack of cytotoxic effects, combined with the mechanical strength, solubility improvements, and antibacterial properties of the hydrogel, positions the CS/CMCD/BBH hydrogel as a promising candidate for effective oral delivery of BBH. By addressing the solubility and delivery challenges of BBH, this hydrogel offers a viable solution for the oral administration of berberine hydrochloride, with potential applications in various biomedical fields.

The rotational correlation times of a small compact spin probe (2,2,6,6-tetramethylpiperidin-1-yl)oxyl in isotactic polypropylene were obtained over a wide temperature range by EPR spectra simulation taking into account anisotropic rotation as well as distribution of probe molecules by rotational mobility. The averaged values of rotational correlation times were compared with the corresponding values calculated using well-known approximated formulas based on the intensities and widths of the spectral lines. It was shown that the calculated values can be used as effective parameters to characterize rotational mobility of the spin probe in the polymer matrix in a wide range of rotational correlation times.

Hydrogen sulfide is present in active or extinct volcanic areas (mofettas). The habitable premises in these areas are affected by the presence of hydrogen sulfide, which, even in low concentrations, gives off a bad to unbearable smell. If the living spaces considered are closed enclosures, then a system can be designed to reduce the concentration of hydrogen sulfide. This paper presents a membrane way to reduce the hydrogen sulfide concentration to acceptable limits using a cellulosic derivative-propylene hollow fiber based composite membrane module. The cellulosic derivatives considered were carboxymethyl–cellulose (NaCMC), cellulose acetate (CA), methyl 2–hydroxyethyl–cellulose (MHEC), and 2–hydroxyethyl–cellulose (HEC). In the permeation module, hydrogen sulfide is captured with a solution of cadmium that forms cadmium sulfide, usable as a luminescent substance. The composite membranes were characterized by SEM, EDAX, FTIR, FTIR 2D maps, thermal analysis (TG and DSC) and from the perspective of hydrogen sulfide air removal performance. To determine the process performances, the variables were: the nature of the cellulosic derivative–polypropylene hollow fiber composite membrane, the concentration of hydrogen sulfide in the polluted air, the flow rate of polluted air, and the pH of the cadmium nitrate solution. Pertraction efficiency was maximum for the sodium carboxymethyl–cellulose (NaCMC)-polypropylene hollow fiber membrane, a hydrogen sulfide concentration in the polluted air of 20 ppm, polluted air flow rate of 50 L/min, and a pH of 2 and 4.

Polycrystalline zinc oxide (ZnO) thin films were deposited on soda-lime glass substrates using the chemical spray pyrolysis method at three different substrate temperatures: 400, 450, and 500 ºC. The solvents used in the precursor solution consisted of either ethanol or methanol. The effects of these solvents on the compositional, structural, morphological, electrical, and optical properties were studied with different techniques, including Rutherford Backscattering Spectrometry (RBS), X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Four-Point method and Ultraviolet and Visible Spectroscopy (Uv-Vis). The results show that both temperature and the type of solvent modify the properties of the materials. An essential outcome of the study was that at 500 ºC, the ZnO thin films prepared with either ethanol or methanol exhibited almost the same high-quality crystallinity, stoichiometry, average crystallite size, energy band gap, and resistivity. These findings contribute to our understanding of the properties of these materials and their potential applications.

Due to its application as an anti-cancer drug, pazopanib (1) has attracted the interest of many researchers and several studies on pazopanib synthesis have been reported over the years. This paper provides a novel route for synthesizing N,2,3-trimethyl-2H-indazol-6-amine (5) which is a crucial building block in the synthesis of pazopanib from 3-methyl-6-nitro-1H-indazole (6). By alternating between the reduction and two methylation steps compound 5 was obtained in comparable yield (55.0%) to what has been reported (54%). Noteworthy, the last step of N2-methylation also yielded N,N,2,3-tetramethyl-2H-indazol-6-amine (5’) as a new compound ever reported. Furthermore, the data presented in this paper can serve as instrumental for future research aimed at further refining the synthesis process of pazopanib.

The collection of forty-nine 8-hydroxyquinoline derivatives, substituted at C5, C6 or C7, was designed and studied by computational methods of modified POM analysis, using SwissADME, Osiris and Molinspiration tool. POM analysis (Petra/Osiris/Molinspiration) and its modified version using SwissADME instead of Petra software are indisputably tools of modern chemoinformatics, often published in the professional literature as well as in the field of research of new antibacterial active compounds, developed to replace existing antibiotics that fail due to increased resistance of bacteria. NitroxolineTM and the group of 8-hydroxyquinoline derivatives with their broad antibacterial effect and the possibility of extensive derivatization of the skeleton, represent a promising direction in the research of new antibacterial active substances. Twenty 8-hydroxyquinoline derivatives were also evaluated on their antibacterial activity against eight selected G+ and G- bacterial strains with a defined resistance mechanism. All structures were in accordance with Lipinski's criteria, twenty-one structures were interesting from the point of view of individual or average value of the bioactivity prediction score and fourteen structures showed one or more mechanisms of toxicity prediction. Furthermore, eleven structures showed a low rate of GI absorption or the inability to cross the BBB barrier, fourteen substances showed a BRENK or PAIN warning, eleven substances are an undesirable substrate of P-glycoprotein and all structures predicted the same level of bioavailability and a relatively low rate of metabolism in the liver. Five structures were selected by the intersection of the POM criteria. The virtual structures 17, 25, 35 and 43 can be favored for the continuity of next study. The resulting scores of bioactivity can indicate the potential of studied structures to be used for the design and development of new active antibacterial agents.

Polyesters based advanced thin films have versatile industrial applications, especially in the filed of textiles, packaging and electronics. Recent advances in polymer science and engineering resulted in development of advanced amorphous and semi-crystalline polyesters with exceptional performance compared to conventional polymeric films. Among these, 1,4-cycloheanedimethanol (CHDM) and cyclic monomer-based polyesters have gained considerable attention attention for their exceptional characteristics and potential applications in smart films. This review article provides a comprehensive overview of the recent advances in the synthesis, characterization, and applications of CHDM and cyclic monomer based advanced polymers for smart film applications. It discussed the structure-property relationship of these innovative polyesters and highlights their unique characteristics including thermal, mechanical, and barrier characteristics. Furthermore, this article also emphases the solution, melt, and solid state polymerization of the polymers. Special emphasis is placed on the influence of the addition of 2nd diol or 2nd diacid on the performance characteristics of synthesized polyesters/copolyesters to explore their versatile industrial applications. Additionally, the impact of stereochemistry of the monomers is also explored to optimized the characterization of polyester, suitable for the industrial applications. Furthermore, this article explores the potential of these advanced polyesters to be considered as a potential materials for smart film applications, especially in the filed of flexible electronics. Finally, the article examines the challenges and future recommendations for the development CHDM and cyclic monomer-based polyesters for smart film applications. It discusses potential avenues for further research, including in-depth studies for the synthesis and characterization of polyesters, development of sustainable and biodegradable alternatives cyclic monomers, alternative green approaches for the synthesis of polymers etc. This review article provides a valuable insights for the researcher from academia and industry working in the field of polymer science and materials engineering.

The research improves the strength of plastic using avocado seed starch and PLA. The effect of blending avocado seed starch and PLA was optimized using the RSM approach by using two variables: water absorption and biodegradability. Mixing them using RSM gave the best result: 1.8 g of starch and 3 g of PLA. Degradable plastic has a (tensile strength of 10.1 MPa; elongation at break of 85.8%; young modulus of 190 MPa). Infrared spectroscopy showed that the plastic had a -OH bond at 3273.20 cm-1, 3502.73 cm-1, 3647.39 cm-1, a CH2 bond at 2953.52 cm-1, 2945.30 cm-1, 2902.87 cm-1, a C=C bond at 1631.78 cm-1, and a C-O bond at 1741.72 cm-1. The plastic decomposed in soil. It was organic and hydrophilic. Thermal tests, the plastic can withstand heat well, losing weight at 356.86°C to 413.64°C, forming crystals and plastic melts at 159.10°C—the same as PLA. Melt flow test, sample melts before measurement, therefore not measurable—process conditions that affect. Water absorption of 5.763% and biodegradation rate of 37.988% decomposed for 12 days. In morphology analysis, the starch and PLA fused to form a smooth surface. RSM found value was close to 1. RSM gave the best process parameters.

The analysis of chemical warfare agents and their degradation products has become increasingly important for public and military safety in recent years. In the article, we drew attention to the possibilities of the HPLC-ICP-MS analytical technique, which has been relatively rarely used for identifying and quantitatively analyzing highly toxic and hazardous substances in environmental samples. This technique enables the identification and determination of minimal amounts (ppt range) of chemicals in various matrices. This fact is important for the analysis of chemical warfare agents and other highly harmful compounds, even small amounts of which can have serious consequences for living organisms. The article critically analyzes the results of scientific research on the identification and quantitative analysis of extremely toxic organophosphorus, organosulfur and organoarsenic substances, their derivatives and degradation products using high-performance liquid chromatography (HPLC) coupled with inductively coupled plasma mass spectrometry (ICP-MS).

In this research work, we examined the decomposition mechanisms of N-substituted diacetamides. We focused on the substituent effect on the nitrogen lone pair electron delocalization, withdrawing and electron donor groups. DFT functionals used included: B1LYP, B3PW91, CAMB3LYP, LC-BLYP, and X3LYP. Dispersion functions gd3bj were applied when necessary to improve non-covalent interactions in the transition state. Pople with higher angular moments and def2-TZVP basis sets were also applied and were crucial for obtaining consistent thermodynamic parameters. The proposed mechanism involves a six-membered transition state with the extraction of an α hydrogen. Several conformers of N-diacetamides were used to account for the decrease in entropy in the transition state in the rate-determining state. All calculations, including Natural Bond Orbital (NBO) analyses, were performed using the Gaussian16 computational package and its GaussView 6.0 visualizer, along with VMD and GNUPLOT software. The isosurfaces and IBSI indexes were calculated using MultiWFN and IGMPlot, respectively.

Opioids have served as a cornerstone in pain management for decades. However, the emergence of increasingly potent synthetic analogs brings forth a range of side effects, including respiratory depression, tolerance, dependence, constipation, and, more importantly, the development of severe and debilitating opioid use disorder (OUD). Search for therapeutics to mitigate OUD has been challenging and this has called for novel approaches that include design of small molecules targeting neuronal circuits involved in addiction (opioid, dopamine, serotonin, norepinephrine, and glutamate receptors, etc.) and development of biologics that target circulating opioids/opiates. In this review, we retrieved and discussed over two dozen of relevant patents filed in the past twelve (12) years that focus on novel approaches to produce therapeutics for OUD. The current review excluded patents on biologics and concentrated on small molecules, which will be discussed separately in a subsequent sequel. The chemical entities disclosed were highlighted and specific examples were provided where necessary. Although the number of patents in the realm of drug discovery for OUD is currently limited, we foresee a continued expansion in the quest for therapeutics for OUD in the years to come.

In recent decades, there has been a startling rise in the number of cancer patients worldwide, which has led to an amazing upsurge in the development of novel anticancer treatment candidates. On a positive note, arylpiperazines have garnered attention in cancer research due to their potential as scaffolds for developing anticancer agents. These compounds exhibit a diverse array of biological activities, including cytotoxic effects against cancer cells. Indeed, one of the key advantages of aryl piperazines lies in their ability to interact with various molecular targets implicated in cancer pathogenesis. Here, we focus on the chemical structures of several arylpiperazine derivatives, highlighting their anti-proliferative activity in different tumor cell lines. The modular structure, diverse biological activities, and potential for combination therapies of arylpiperazine com-pounds make them valuable candidates for further preclinical and clinical investigations in the fight against cancer. This review, providing a careful analysis of different arylpiperazine deriva-tives and their biological applications, allows researchers to refine the chemical structures to improve potency, selectivity, and pharmacokinetic properties, thus advancing their therapeutic potential in oncology.

Increasing the energy density and power of supercapacitors through hybrids of carbonaceous materials and metal oxides continues to be the subject of numerous research works. The correlation between specific capacitance and the properties of materials used as electrodes attracts great interest. In the present study, we have investigated composites (GO/Mn3O4) prepared by hydrothermal method with variable ratio GO/Mn3O4 and tested as supercapacitor electrode materials in three and two-electrode cells. The chemical characterization carried out by X-ray Photoelectron Spectroscopy and the adsorption techniques used have allowed the determination of the surface carbon and oxygen content, as well as its textural properties. In this work we have analyzed the contribution of the double layer and of the Faradaic reactions to the value of the final supercapacitance of the synthesized materials. Beyond empirically obtaining the electrochemical properties, these have been related to the physicochemical characteristics of the hybrids, to help design materials with the best performances for supercapacitor electrodes.

Silicon (Si) is the major material of semiconductor element. For semiconductor element producing, Si need to refined into high-purity silicon crystals, which has the approximate characteristics of intrinsic semiconductor, then doping 13th group or 15th group trace element. Producing the high-purity silicon crystals with well-lattice structure need a lot of energy and highly cost. Besides, the high-purity silicon is very hard and fragile which limits the scope of application. For this reason, this study added low-grade non-complete lattice silicon in the elastic polymer, and then doped with high concentrations of fine carbon powder. This material can be conductive by physisorption;therefore, it can be used to making semiconductors. Using this material to produce electronic components can significantly reduce the cost of purification and crystallization, saving energy at the same time. Moreover, because this elastic polymer materials containing silicon, which has soft, warm, and durable physical properties. With those properties, the design of the device could be more flex, full scalability and close to the skin.

Cocoa bean shells (CBSs) represent the external layer of cocoa beans. The shells are removed during the winnowing after the pre-roasting, a processing step of chocolate production; in in the past they were considered a waste. CBSs possess many interesting nutritional characteristics in both macro and micronutrients. CBSs result very rich in dietary fiber and antioxidant compounds such as phenolic acids and flavan-3-ols. Soluble dietary fibers are potentially associated with fermentability and prebiotic activity on human gut microbiota instead antioxidants compounds have been linked with positive effects on human health. Based on these properties, the aim of this study was the valorization of CBSs thorough enzymatic treatments. The shells were treated both raw and defatted; three sets of carbohydrases have been used in order to destructure the fiber profile, potentially enhancing the potential prebiotic activity of CBSs. Cellulase, xylanase and pectinase were used to perform enzymatic treatments. After the enzymatic hydrolisis, both soluble and insoluble fibers fraction were quantified, in parallel with the total phenolic and the total flavonoid contents and the antioxidant activity. Moreover, the HPLC-PDA analysis was carried out for the main compounds of CBSs. The enzymatic treatmens allowed to obtain an enhancement in soluble fibers, for both defatted and raw CBSs, particularly using cellulase, xylanase and their combinations. Finally, a parallel preservation of the antioxidant capacity and the content of the main bioactive compounds after the treatments was observed. These results can be used to exploit the enzymatic treated CBSs to further industrial applications in the food and nutraceutical fields.

Biomass can be converted into energy/fuel by different techniques, such as pyrolysis, gasification, and others. In the case of pyrolysis, biomass can be converted into a crude bio-oil around 50-75% yield. However, the direct use of this crude bio-oil is impractical due to its high content of oxygenated compounds, which provide inferior properties compared to those of fossil-derived bio-oil, such as petroleum. Consequently, bio-oil needs to be upgraded by physical processes (filtration, emulsification, among others) and/or chemical processes (esterification, cracking, HDO, among others). In contrast, HDO can effectively increase the calorific value and improve the acidity and viscosity of bio-oils through reaction pathways such as cracking, decarbonylation, decarboxylation, hydrocracking, hydrodeoxygenation and hydrogenation where catalysts play a crucial role. This article first focuses on the general aspects of biomass, subsequent bio-oil production, its properties, and the various methods of upgrading pyrolytic bio-oil to improve its calorific value, pH, viscosity, degree of deoxygenation (DOD), and other attributes. Secondly, particular emphasis is placed on the process of converting model molecules and bio-oil via HDO using catalysts based on nickel and nickel combined with other active elements. Through these phases, readers can gain a deeper understanding of the HDO process and the reaction mechanisms involved. Finally, the different equipment used to obtain an improved HDO product from bio-oil is discussed, providing valuable insights for the practical application of this reaction in pyrolysis bio-oil production.

Monte Carlo simulations were conducted to investigate the interaction between nucleation and the rates of chemical reduction in Au/Ag, Au/Pt and Au/Pd nanoparticles prepared in microemulsions using a one-pot method. The impact of nucleation on final nanostructure depends on the critical nucleus size value: at a high critical nucleus size, nucleation becomes the main factor in determining the final nanostructure, even with very large difference in reduction rates, as seen in the Au/Pd pair. However, when the critical nucleus size is small, the difference in reduction rates of the two metals becomes the key parameter determining the final nanostructure. Furthermore, the relevance of heteroatomic nucleation on the mechanism of nanoparticle formation depends on the difference between the reduction rates of the two metals. Smaller differences, such as in the Au/Ag or Au/Pt pairs, result in a greater impact of heteroatomic nucleation on the final nanostructure. In contrast, in the Au/Pd pair, heteroatomic nucleation becomes less important due to the low availability of Pd until late stages of synthesis. This study provides deeper insight into the complex mechanisms that govern reactions in microemulsions.

This study investigates the characteristics of activated carbons derived from biomass plant residues: rice husk (OSL) of the genus Oryza, reed stalks (PhAC) of the genus Phragmites, pine sawdust (PSL) of the genus Pinus, and wheat straw (TAL) of the genus Triticum. Activation was carried out using potassium hydroxide, employing a two-stage pyrolysis under air. The study examined the influence of activation temperature, duration, concentration of the impregnating agent, and impregnation time. Characteristics such as sorbent porosity, bulk density, and hydrocarbon sorption capacity were determined. Adsorption capacity was assessed using BET analysis and the iodine number determination method, with the highest iodine number achieved being 2809 mg/g, indicating high adsorption capability. The structural morphology of the activated carbons was evaluated by SEM, and their chemical surface characteristics were identified by IR spectroscopy. Computational analysis of the nitrogen sorption isotherms using the Barrett-Joyner-Halenda (B-J-H) method and the Dubinin-Radushkevich (D-R) equation showed that activated carbon samples from rice husk and pine sawdust possess a developed specific surface area and contain micro- and mesopores. The Dubinin-Astakhov (D-A) approach was used to study the pore diameter of activated carbon, revealing significant findings on pore structure. The maximum micropore volume was found in activated carbon samples from pine sawdust (PSL), measuring 0.46 cm³/g. All activated carbon samples of plant origin were tested under field conditions for the remediation of oil-contaminated areas near the “Zhanatalap” oil field in the Atyrau region. By the 16th day, the oil-contaminated soil treated with rice husk activated carbon was cleaned by 67.1%.

The purpose of this work is to analyze heat-treated ash wood at temperature of 185 ºC, in order to analyze its dimensional stability. For comparison, native ash/ not thermally treated wood, was be used. In order to analyze heat-treated ash wood, some main properties such as water absorption, swelling in thickness, roughness, Brinell hardness, modulus of rupture and elasticity, color change toward black with CIELab space, and many others properties were determined and processed. The results obtained after processing the experimental data have showed that heat-treated ash wood had good physical properties as absorption and swelling in thickness, and the slight increase in elasticity offers new fields of use. As a general conclusion of the work, it was established that the ash wood can be properly thermally treated, the dimensional stability characteristics being very good, and the decrease in bending resistance being almost imperceptible.

More than 700 anthocyanins are described so far, and many different sources are rich in these natural pigments. During the last few years, researchers have been focusing of strategies to recover and purify anthocyanins, from simple liquid-liquid extractions to more advanced supercritical CO2 extractions, however, with such a huge number of different sources, it’s extremely hard to get a simple and fast methodology that fits several sources, not only by the structural nature of the anthocyanins but also by the presence of specific groups of natural compounds. Using simple methodologies like solid-phase extraction resins represents a powerful economical and efficiency strategy. In this work, we tested several sources of structurally distinct anthocyanins, including purple basil, purple cabbage, purple sweet potato, butterfly pea flower, cornflower and wild pansy, in different resins to assess their efficiency in the obtention of anthocyanin-pure extracts. The results showed us that the combination of oasis HLB® resin followed by a cation-exchange SPE with DSC-MCAX® resulted in high-purity anthocyanin extracts for all the cases.

Half-metallic semi-Heusler compounds are currently at the forefront of scientific research due to their potential applications in spintronic devices. Unlike other semi-Heuslers, the p0(d0)-d compounds do not appear to crystallize in the typical variant of the C1b structure. We investigate this phenomenon in the p0-d Heusler compounds LiYGa and LiYGe, where Y varies between Ca and Zn, using first-principles ab-initio electronic band structure calculations. We examine the electronic and magnetic properties of these compounds in relation to the three possible C1b structures. Notably, LiVGa, LiVGe, LiMnGa, and LiCrGe are half-metallic ferromagnets across all three variations of the C1b lattice structure. Our findings will serve as a foundation for future experimental studies on these compounds.

Here, we present a general framework for computing the infrared anharmonic vibrational spectra of polyatomic molecules using the Born-Oppenheimer molecular dynamics (BOMD) with the software PyRAMD. To account for the nuclear quantum effects, we suggest using the simplified Wigner sampling (SWS) approach [\textit{Phys. Chem. Chem. Phys.}, 2023, \textbf{25}, 18406-18423] simultaneously coupled with the Andersen and Berendsen thermostats. We propose a new criterion for selecting the parameter of the SWS based on the molecules' harmonic vibrational frequencies and usage of the large-time-step blue shift correction, allowing for a decrease in computational expenses. For the Fourier transform of the dipole moment autocorrelation function, we propose to use the regularized least-squares analysis, which allows us to obtain higher frequency resolution than the direct application of fast Fourier transform. Finally, we suggest the usage of the pre-parameterized scaling factors for the IR spectra from BOMD, also providing the scaling factors for the spectra at the BLYP-D3(BJ)/6-31G, PBE-D3(BJ)/6-31G, and PBEh-3c levels of theory.

The surface thermodynamic properties of polymers and copolymers modified by supramolecular structures are very used in several industrial processes, such as selective adsorption, paints, coatings, colloids, and adhesion applications. Background: Inverse gas chromatography at infinite dilution was proved to be the best technique to determine the surface properties of solid surfaces by studying the adsorption of some model polar and non-polar organic molecules adsorbed on solid surfaces by varying the temperature. Methods: The retention volume of adsorbed solvents is a precious parameter to obtain the London dispersive and polar free energies and the London dispersive surface energy of styrene–divinylbenzene copolymer modified by supramolecular structure of melamine using the Hamieh thermal model and our new methodology consisting in the separation of the two polar and dispersive free energy of interaction. This led to the determination of the polar acid and base surface energy, and the Lewis’s acid-base constants of the various solid materials. Results: all surface energetic properties of styrene–divinylbenzene copolymer modified by melamine at different percentages were determined as a function of temperature, following our new methodology. Conclusions: It was observed that the styrene–divinylbenzene copolymer exhibited the highest London dispersive surface energy which decreased when the melamine percentage increased. All materials presented higher Lewis’s basicity and this Lewis’s basicity increased with the percentage of melamine.

In vitro cancer cell cytotoxicity (IC50 values) of (E)-3-(4’-methylbenzylidene)-4-chromanone (IIIb) showed >50.0 decreases in comparison to those of the respective tetralone derivative (IIIc). On the other hand, such a decrease was not observed in the analogous 4-OCH3 (IIc and IIIc) derivatives. Since the compounds can be considered cyclic chalcone analogs, kinetics and diastereoselectivity of non-enzyme catalyzed reactions with reduced glutathione (GSH) and N-acetylcysteine (NAC) of IIIb and IIIc were investigated to assess the possible role of thiol-reactivity in the increased cytotoxicity of IIIb. Reactivity of the compounds and stereochemical outcome of the reactions were evaluated using high-pressure liquid chromatography-mass spectrometry (HPLC-MS). Molecular modeling calculations were performed to rationalize the observed differences in the thiol-reactivities of the chromanones (III) and the previously investigated tetralones (II). The results indicated possible role of spontaneous thiol-reactivity of compounds III in their recorded biological effects.

Exosomes are small extracellular vesicles produced by almost all cell types in the human body and exosomal microRNAs (miRNAs) are small non-coding RNA molecules that are known to serve as important biomarkers for diseases such as cancer. Given that the upregulation of miR-106b is closely associated with several types of malignancies, the sensitive and accurate detection of miR-106b is important but difficult. In this study, a surface acoustic wave (SAW) biosensor was developed to detect miR-106b isolated from the cancer cells based on immunoaffinity separation technique using our unique paddle screw device. Our novel SAW biosensor could detect a miR-106b concentration as low as 0.024 pM in a linear range from 0.1 pM to 1.0 μM with a correlation coefficient of 0.9939. Additionally, we were able to successfully detect miR-106b in total RNA extracted from the exosomes isolated from the MCF-7 cancer cell line, a model system for human breast cancer, with performance comparable to commercial RT-qPCR methods. Therefore, the exosome isolation by paddle screw method and the miRNA detection using the SAW biosensor has the potential to be used in basic biological research and clinical diagnosis as an alternative to RT-qPCR.

Colloidal quantum dots (CQDs) are valuable for their potential applications in optoelectronic devices. However, they are susceptible to thermal degradation during processing and while in use. Mitigating thermally induced sintering, which leads to absorption spectrum broadening and undesirable changes to thin film electrical properties, is necessary for the reliable design and manufacture of CQD-based optoelectronics. Here, low temperature metal-oxide atomic layer deposition (ALD) was investigated as a method for mitigating sintering while preserving the optoelectronic properties of mercury telluride (HgTe) CQD films. ALD-coated films are subjected to temperatures up to 160oC for up to 5 hours and alumina (Al2O3) is found to be most effective at preserving the optical properties, demonstrating the feasibility of metal-oxide infilling to protect against sintering. HgTe CQD film electrical properties were investigated before and after alumina ALD in-filling, which was found to increase the p-type doping and hole mobility of the films. The magnitude of these effects depended on the conditions used to prepare the HgTe CQDs. With further investigation into the interaction effects of CQD and ALD process factors, these results may be used to guide the design of CQD-ALD materials for their practical integration into useful optoelectronic devices.

The impact of COVID-19’s unexpected outbreak forced the scientific world to thoroughly seek alternative ways of treatment in order to overcome the hindrance of traditional medicine in alleviating the symptoms of this virus and possibly be an option for a potential cure in the near future. The antibiotic erythromycin, which was introduced in 1952, has been reported to pose an effective substitute medication for various ailments such as skin, respiratory, bone, female reproductive conditions, and cancer, as well as the newly added COVID-19’s aftermath. Countries, World Health Organization and the health industry have recruited and cooperated with numerous universities and institutions, so as to tackle the demand for efficient antibiotics, with USA and China leading this effort. Consequently, the catalytic mechanism of erythromycin’s synthesis and industrial production was discussed and analyzed further in order to gain a better understanding and extrapolate innovative and environmentally friendly methods of producing this antibiotic. Therefore, the demand for an increase and improvement in the production of erythromycin should be globally promoted, in order to deliver more effective results against infectious diseases such as COVID – 19.

The world is struggling with the increasing rate at which water bodies are constantly polluted due to rapid modernization and industrialization. The different types of water contaminants include both anthropogenic and natural contaminants. Environmentalists are mainly concerned about heavy metals such as cadmium ions, as they are considered poisonous and carcinogenic even if they are present at a minimum concentration, and they are considered an immediate concern, according to the World Health Organization. Recently, many methods, such as solvent extraction, ion exchange, electrochemical precipitation, and reverse osmosis, have been developed to remove heavy metals from wastewater. These methods have been reported to be expensive and inefficient; hence, more cost-effective and eco-friendly alternative strategies are needed. Amidst these challenges, a ray of hope emerges in the form of biosorbents. These abundant, eco-friendly, and cost-efficient materials have shown promise as an alternative method for removing heavy metals from wastewater. They are equipped with functional groups that can effectively absorb metal ions onto their surfaces, offering a potential solution to our water contamination woes. This review is significant as it delves into the potential use of several biosorbents to decontaminate cadmium ions from wastewater. This review is significant as it delves into the potential use of several biosorbents to decontaminate cadmium ions from wastewater

Quantum chemical topology addresses the study of the chemical structure by applying the tools of differential topology to scalar and vector fields obtained by quantum mechanics. Here the magnetically induced isotropically averaged Lorentz force density has been computed and topologically analysed for 11 small molecules. Critical points (attractors, repellers and saddles) have been determined and trajectories connecting the attractors have been computed. It is shown that kinds and numbers of the critical points are rather transferable in similar molecules. CC bonds of different order are endowed with critical points of different kind close to their centre. The long range behaviour of the force allows understanding the value of the sum of topological indices of the isolated critical points.

The formation of atroposelective biaryl compounds in plants and fungi is well understood; however, the polyketide aglycone synthesis and dimerization in bacteria remain unclear. Thus, the biosynthetic gene cluster (BGC) responsible for antibacterial setomimycin production from Streptomyces nojiriensis JCM3382 was examined in comparison with the BGCs of spectomycin, julichromes, lincolnenins, and huanglongmycin. Setomimycin BGC includes post-PKS assembly/cycling enzymes StmD (C-9 ketoreductase), StmE (aromatase), and StmF (thioesterase) as key components. The heterodimeric TcmI-like cyclases StmH and StmK are proposed to aid in forming the setomimycin monomer. In addition, StmI (P-450) is predicted to catalyze biaryl coupling of two monomeric setomimycin units, with StmM (ferredoxin) specific to setomimycin BGC. The roles of StmL and StmN, part of the nuclear transport factor 2 (NTF-2)-like protein family and unique to setomimycin BGCs, could particularly interest biochemists and combinatorial biologists. α-Glucosidase, a key enzyme in type 2 diabetes, hydrolyzes carbohydrates into glucose, thereby elevating blood glucose levels. This study aimed to assess the α-glucosidase inhibitory activity of EtOAc extracts of JCM 3382 and setomimycin. The JCM 3382 EtOAc extract and setomimycin exhibited greater potency than the standard inhibitor, acarbose, with IC50 values of 285.14 ± 2.04 μg/mL and 231.26 ± 0.41 μM, respectively. Kinetic analysis revealed that setomimycin acts as a competitive inhibitor of α-glucosidase. Molecular docking demonstrated two hydrogen bonds with maltase-glucoamylase chain A residues Thr205 and Lys480 (binding energy = −6.8 kcal·mol⁻¹), two π-π interactions with Trp406 and Phe450, and one π-cation interaction with Asp542. Residue-energy analysis highlighted Trp406 and Phe450 as key in setomimycin's binding to maltase-glucoamylase. These findings suggest that setomimycin is a promising candidate for further enzymological research and potential antidiabetic therapy.

Benzazoles, such as benzoxazoles and benzothiazoles, are compounds with important biological and pharmacological activities and important intermediaries in synthesis. This report presents the synthesis of a butanamide derived from linking 5-chloro-2-aminobenzoxazole and 2-aminobenzothiazole via 4-chlorobutanoyl chloride. The corresponding compound N-(benzothiazol-2-yl)-4-((5-chlorobenzoxazol-2-yl)aminobutanamide was obtained 76 % yield global using accessible starting materials and methodology in two reaction steps. Furthermore, we made docking studies of this compound on 3-TOP protein to explore its potential as an antidiabetic agent.

The large energy band gap associated with titanium oxide nanoparticle is a limitation to its application as a photo catalyst within the solar spectrum. More than 45% of solar radiation can be utilized at a reduced energy band gap of 〖TiO〗_2. Various structural modifications in 〖TiO〗_2 targeted in optimized photo catalyst application include the enhancement of its support system. Activated carbon supported 〖TiO〗_2 nanoparticle may produce the desired reduction in the energy band gap, reduce electron recombination and consequently enhance its photocatalytic activity in the visible region of electromagnetic spectrum. In the current investigation, an activated carbon made from the leaves of an invasive plant (Acacia Saligna) was applied as a support in the synthesis (hydrothermal process) of 〖TiO〗_2 nanoparticle. The determination of energy band-gap of 〖TiO〗_2 supported activated carbon using UV-Vis spectrophotometer gave 2.11 eV. Likewise, Scanning Electron Microscopy (SEM-EDS), Fourier transformer infrared (FTIR), XRD and Brunauer- Emmett-Teller (BET) showed that 〖TiO〗_2was successfully immobilized on the activated carbon’s external surface. The BET results showed that the synthesized 〖TiO〗_2exhibits small hysteresis phenomenon which represent a typical type IV isotherm attributed to mesosoporous material with a low porosity. Meanwhile, these XRD results reveal the presence of mixture of rutile and anatase crystalline phase

This research has developed a process for producing ZnO thin film from DEZn deposited onto a PET substrate with low-pressure, high-frequency Ar + O2 plasma using a chemical vapor deposition technique. The aim is to study the film production conditions that affect electrical properties, optical properties, and thin film surfaces. This work highlights the use of plasma energy produced from a mixture of gases between Ar + O2. Plasma production is stimulated with an RF power supply to deliver high chemical energy and push ZnO atoms from the cathode inside the reactor onto the substrate through surface chemical reactions. The results showed that increasing the RF power in plasma production affected the chemical reactions on the substrate surface of film formation. The film preparation at RF power 300 W will give the thickest films. The film has a continuous columnar formation, and the surface has a granular structure. This results in the lowest electrical resistivity of 1.8 x 10-4 Ω-cm. In addition, when fabricated into a DSSC device, the device tested the PCE value and showed the highest value at 5.68%. This is due to the very rough surface nature of the ZnO film, which increases the scattering and storage of sunlight, making cells more efficient. Therefore, the benefit of this research is that it will be a highly efficient prototype of thin film production technology using a chemical process that reduces production costs and can be used in the industrial development of solar cells.

Wear phenomena on natural stone of the cultural heritage are induced from various sources. Consequently, the development of multifunctional protective materials which combine two or more useful properties is an effective strategy to address the synergistic effects of various wear mechanisms. A multifunctional coating, consisting of a silane-based precursor and zinc oxide (ZnO) nanoparticles (NPs), is produced and tested for the protection of limestone. The hybrid coating combines the following three properties: superhydrophobicity, including water-repellency, photocatalytic self-cleaning and biocidal activity. The relative concentration of the NPs (0.8% w/w), used for the suggested composite coating, is carefully selected according to wetting studies, colourimetric measurements and durability (tape peeling) tests. The non-wetting state is evidenced on the surface of the composite coating by the large contact angle of water drops (≈153°) and the small contact angle hysteresis (≈5°) which gives rise to the physical self-cleaning scenario (lotus effect). The photocatalytic chemical self-cleaning is shown with the removal of methylene blue, induced by the UV-A radiation. Moreover, it is shown that the suggested coating hinders the incubation of E. coli and S. aureus as the inhibition were 94.8 and 99.9 %, respectively. Finally, preliminary studies revealed the chemical stability of the suggested coating.

Recent studies have suggested significant antimicrobial properties of some metallic nanoparticles during the height of antibiotic resistance. The silver nanoparticle (AgNPs) is one of the most prominent candidates due to its noble nature and better tolerance profile in humans. The synthesis of AgNPs was carried out using silver nitrate using five different chemical reduction methods and comparing their activity with silver nitrate, also known to possess antimicrobial properties. AgNPs have been synthesized with varying combination of reducing agents, and subsequently characterized by UV-visible spectroscopy, thermogravimetric analysis (TGA), scanning electron microscopy (SEM), and dynamic light scattering (DLS). Chemical reduction with both trisodium citrate and sodium borohydride provided better particle size and controlled uniformity, whereas hydrogen peroxide was used as a stabilizer to increase the stability of AgNPs. The minimum bactericidal concentration (MBC) for all AgNP formulations was determined against gram-negative E. coli, and AgNPs synthesized with only trisodium citrate were found to be the most effective. The synthesized AgNPs were tested against the resistant strains of E. coli, Salmonella, Klebsiella, Bacillus, and Staphylococcus by the well diffusion method to evaluate and compare their inhibition zones and AgNPs synthesized with polyethylene glycol and polyvinyl pyrrolidine were found to be the most efficient.

With a growing number of PCMs and new, suitable PCM candidates, an overview is not only important, but also increasingly complex. Classification of PCM was thus changed significantly in the past decades. A review of classification of PCMs from recent years shows that not only different classification criteria are used, but more important that they are often mixed, used inconsistently, even without a clear goal. Focusing on the main goal of current classification schemes, to give an overview of the material options for the search for new, suitable PCM candidates, including already established PCMs, a consistent classification is developed in a desktop study. For this, first, the general options for classification criteria are reviewed, and then the appropriate ones selected. Then, based on them a new, revised PCM classification is suggested. It is specifically detailed with regard to mixtures; for binary mixtures it is based on a literature review performed within the study. The result also stresses the importance of specific R&D: for pure substances the sources and the chemical modification, and for mixtures their optimization by new compositions, additives, etc.

In this study, methyl/tbutyl salicylate bearing zirconium complexes (C1-C8) were prepared by reaction of zirconium (IV) propoxide/butoxide with salicylic acid, 3-methylsalicylic acid, 4-methylsalicylic acid, and 3,5-di-tert-butylsalicylic acid in alcohols, respectively. All these complexes (C1-C8) were characterized by 1H-NMR, 13C-NMR, FTIR, mass spectroscopy (MS), elemental, and thermogravimetric analyses (TGA). These complexes were utilized as catalysts in ring opening polymerization (ROP) of ε-caprolactone and were very effective. Polycaprolactone (PCL) was characterized by 1H-NMR, 13C-NMR, and gel permeation chromatography (GPC). In this study, perhaps for the first time, the effects of electron donating substituents (Me and tBu) on ε-caprolactone polymerization reactions on salicylate ligands linked to zirconium atoms were investigated.

A new method, based on quantum chemical calculations, is proposed for the thermodynamically consistent reformulation of QSPR-type Linear Free-Energy Relationship (LFER) models. This reformulation permits the extraction of valuable information on intermolecular interactions and its transfer in other LFER-type models, in acidity / basicity scales or even in equation-of-state models. New molecular descriptors of electrostatic interactions are derived from the distribution of molecular surface charges obtained from COSMO-type quantum chemical calculations. The widely used and very successful Abraham’s Linear Solvation Energy Relationship (LSER) model is selected as the reference LSER model for the calculations in solute – solvent systems as well as in solute self-solvation. Hydrogen-bonding free energies, enthalpies and entropies are now derived for a variety of common solutes. The capacity of the method to address the role of conformational changes in solvation quantities is discussed. The perspectives of the LSER model with the implementation of the new descriptors are also discussed.

In this work, we will study at a basic level, a series of possible new three-dimensional monoclinic allotropes of silicon, with sp3 hybridization, of the bct type; where hexahedrons and octahedrons are combined, with other cluster shapes, with basic silicon geometries such as: triangles ( Si3 ), squares ( Si4 ), pentagons ( Si5 ) and hexagons ( Si6 ); similar to two-dimensional, sp2 hybridized graphene allotropes. Calculating its electron density, bandgap energy and electronic mobility.

Yttria stabilized zirconia (Y-TZP) ceramics with drastically reduced yttria content have been introduced by different manufacturers aiming at improving the damage tolerance of ceramic components. In this study an alumina doped 1.5Y-TZP was axially pressed, pressureless sintered in air at 1250–1400 °C for 2 h and characterized with respect to mechanical properties, microstructure and phase composition. The material exhibits a combination of high strength of 1000 MPa and a high toughness of 8.5–10 MPa√m. The measured fracture toughness is, however, extremely depending on measurement protocol. Direct crack length measurements overestimate toughness due to trapping effects. The initially purely tetragonal material has a high transformability of > 80 %, the transformation behavior is predominantly dilatoric, measured R-curve related toughness increments are in good agreement with transformation toughness increments derived from XRD data.

Mercury (Hg) is a toxic element impacting on biological systems and ecosystems. Because the toxicity of Hg species is highly dependent on concentration levels and chemical forms, sensitive identification of chemical forms for Hg, i.e., Hg speciation, is of major significance in providing meaningful information about the source of Hg exposure. In this study, a microfluidic-based device made of high clarity poly(methyl methacrylate) (PMMA) was fabricated. Then titanium dioxide nanoparticles (nano-TiO2) were attached to the treated channel interior with the aid of poly(diallyldimethylammonium chloride) (PDADMAC). After coupling the nano-TiO2-coated microfluidic-based photocatalyst-assisted reduction device (the nano-TiO2-coated microfluid-ic-based PCARD) with high-performance liquid chromatography (HPLC) and inductively coupled plasma-mass spectrometry (ICP-MS), a selective and sensitive hyphenated system for Hg specia-tion was established. Validation procedures demonstrated that the method could be satisfactorily applied to the determination of mercuric ion (Hg2+) and methylmercury ion (CH3Hg+) in both human urine and water samples. Remarkably, the zeta potential measured clearly indicated the PDADMAC-capped nano-TiO2 with predominance of positive charges indeed provided steady force for firm attachment to the negatively charged device channel. The cause for the durability of the nano-TiO2-coated microfluidic-based PCARD was clarified thus.

Fabrication of durable materials with excellent oil adsorption capacity and separation performance for the treatment of oily wastewater is meaningful based on smart responsiveness. Herein, a solvent-responsive melamine sponge (MS) was developed via silanization followed by the in-situ growth of zeolitic imidazolate framework-8 (ZIF-8). Detailed characterization of the resultant composite MS was conducted using scanning electron microscopy (SEM), energy dispersive spectrometer (EDS), X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FTIR). The multiscale hierarchical MS substrate exhibited highly hydrophobic property in the pH range of 1-11, along with a satisfactory adsorption capacity in the range of 65.4-134.2 g/g for different oils. The modified surface transformed from superhydrophobicity/superlipophilicity to superhydrophilicity/underwater superoleophobicity upon ethanol wetting, reverting to its original superhydrophobic state upon drying. The separation flux of the MS substrate was above 1.5×104L/m2h for both oil and water removal, along with the separation efficiency more than 98.7%. No obvious changes of the separation performance after 50 successive immiscible oil/water separation indicated the excellent durability and robustness of the anchored ZIF-8 nanoparticles on the surface of modified MS substrate. More importantly, oil-in-water emulsion separation was successfully carried out via the ZIF-8 MS composite with a high separation efficiency over 99.1%. The developed smart sponge with high oil absorption capacity, excellent chemical stability and fire resistance exhibited a wide range of potential practical applications in the convenient treatment of oily wastewater.

Toxic metal wastewater is a challenge for exposed terrestrial, aquatic environments and the recyclability of the water, prompting inputs for the development of promising treatment methods. Consequently, the rGO/ZnONP nanocomposite was synthesized at room temperature for four hours and was tested for adsorption of cadmium and lead in wastewater. The optimized nanocomposite had the lowest band gap energy (2.69 eV) and functional group interactions were at 516, 1220, 1732, 3009, and 3460 cm-1. The nanocomposite showed saturation of ZnO nanoparticles on rGO with a weight percentage of zinc (60.02 %), oxygen (22.96 %), and carbon (16.58 %), and the micrograph showed slight agglomeration on the sheet surface. The nanocomposite’s D and G band intensities were almost the same constituting the ZnO presence on rGO from the raman spectrum. The adsorption equilibrium time for cadmium and lead was reached within 10 and 90 minutes with efficiencies of ~ 100 %. Sips and Freundlich were best fitting the cadmium and lead adsorption data (R2 ~ 1), therefore the adsorption was a multilayer coverage for lead and a mixture of heterogenous and homogenous coverage for cadmium adsorption. Both adsorptions were best fitted by the pseudo first order model, suggesting the multilayer coverage dominance. The adsorbent was reused for three and seven times for cadmium and lead. The nanocomposite showed selectivity towards lead (95 %) and cadmium (100 %) in the interfering wastewater matrix. Conclusively, the nanocomposite may be embedded within upcoming lab-scale treatment plants which could lead to further upscaling and serving as industrial wastewater treatment material.

Recently, polyacetylene (PA) is receiving a renewed scientific attention due to its electrical properties potentially useful for energy applications (e.g., fabrication of electrodes for batteries and supercapacitors) and unique functional characteristics (e.g., flame retardant, oxygen scavenger, EMI-shielding, etc.). This chemical compound can be obtained in form of a polyacetylene-PVOH copolymers simply by chemical dehydration of poly(vinyl alcohol) (PVOH), which is a very common type of polymer, widely used in packaging and other technological areas. This very inexpensive chemical reaction for the large-scale synthesis of PA/polyvinylenes has been investigated by reacting PVOH with fuming sulfuric acid at room temperature. In this process, PVOH, shaped in form of film, is dipped in fuming sulfuric acid (i.e., H₂SO₄ at 95-97%) and, after complete chemical-dehydration, it has been mechanically removed from the liquid phase by using a nylon sieve. The reduction process leads to a substantial PVOH film conversion to PA as it has been proved by infrared spectroscopy (ATR-mode). Indeed, the ATR spectrum of the reaction product included all characteristic absorption bands of PA. The reaction product has been also characterized by UV-Vis spectroscopy in order to evidence the presence in the structure of conjugated carbon-carbon double bonds of various lengths. Differential scanning calorimetry (DSC) and thermogravimetric analysis have been used respectively to investigate the PA solid-state cis-trans isomerization and thermal stability in air and nitrogen, respectively.

The reaction of berberine derivatives containing at O-9 position N,N-disubstituted acetamide fragments with sodium borohydride in methanol at 0 °C leads to a mild reduction of the "C" cycle with the formation of corresponding tetrahydroberberine derivatives with moderate to good yields.

The erosion of surface pipelines induced by proppant flowback during shale gas production is significant. The surface pipelines in a shale gas field in the Sichuan Basin experienced perforation failures after only five months of service. To investigate the erosion features of L360N, coatings, and ceramics and optimize the selection of two protective materials, a gas-solid two-phase flow jet erosion experimental device was used to explore the erosion resistance of L360N, coating, and ceramic under different impact velocities (15 m/s, 20 m/s, and 30 m/s). An energy dispersive spectroscope, a scanning electron microscope, and a laser confocal microscope were employed to analyze erosion morphologies. With the increase in flow velocity, erosion depth and erosion rate of L360N, coating, and ceramic increased and peaked under an impact velocity of 30 m/s. Maximum erosion rate and maximum erosion depth of L360N were respectively 0.0350 mg/g and 37.5365 µm. Its primary material removal mechanism was plowing of solid particles and microcracks were distributed on the material surface under high flow velocities. Maximum erosion rate and maximum erosion depth of coating were respectively 0.0217 mg/g and 18.9964 µm. Its primary material removal mechanism was the detachment of the binder phase Co caused by plowing. Maximum erosion rate and maximum erosion depth of ceramics were respectively 0.0108 mg/g and 12.4856 µm. The erosion mechanisms were micro-cutting and plowing. Under different particle impact velocity, different erosion morphologies were observed, but the primary erosion mechanism was the same. The erosion resistance of ceramics was higher than that of coating. Therefore, ceramic lining materials could be used to protect the easily eroded parts, such as pipeline bends and tees, and reduce the failure rate by more than 93%. The study provided the data and theoretical basis for the theoretical study on oil and gas pipeline erosion and pipeline material selection.

In this work, we will study metallic clusters equivalent to the organic ones intercalated with metals, of solid benzene type, Ba anthracene and K3.45picene; and we will try to calculate its superconducting Tc, for each of these compounds, from electronic correlations at room temperature. We will also study metal hydrides and clusters, totally composed of metals, which adopt forms analogous to molecular organic picene and anthracene; also calculating its TC.

Soft magnetic composites cores were produced by Spark Plasma Sintering (SPS) from Ni3Fe@ZnFe2O4 and NiFeMo@ZnFe2O4 pseudo-core-shell powders. In the Fe-Ni alloys@ZnFe2O4 pseudo-core-shell composite powders, the core is a large nanocrystalline Permalloy or Supermalloy particle obtained by mechanical alloying, and the shell is a pseudo continuously layer of Zn ferrite particles. The pseudo-core-shell powders have been compacted by SPS at temperatures between 500-700 ºC, with a holding time of 0 minutes. Several techniques were used for the characterisation of the powders and sintered compacts: X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectroscopy, magnetic hysteresis measurements (DC and AC) and electrical resistivity. The electrical resistivity is stabilised at values of about 7·10-3 Ω·m for sintering temperatures between 600-700 °C and this value is 3 orders of magnitude higher than the electrical resistivity of sintered Fe compacts. The best relative initial permeability was obtained for the Supermalloy/ZnFe2O4 composite compacts sintered at 600 ºC, which decreases linearly for the entire frequency range studied, from around 95 to 50. Up a frequency of 2,000 Hz the power losses are lower than 1.5 W/kg. At the frequency of 10 kHz, the power losses are larger, but they remain at a low level. In the case of Supermalloy/ZnFe2O4 composite compact SPS-ed at 700 °C, the specific power losses are even lower than 5 W/kg. The power losses decomposition proved that intra-particles losses give the main part of the losses.

The effect of ceria doping of (ZrO2)1-x(Sm2O3)x crystals on their phase composition, microhardness and fracture toughness has been studied. The (ZrO2)0.995-х(Sm2O3)х(СеО2)0.005 crystals (where x = 0.032, 0.037 and 0.04) have been grown using directional melt crystallization in cold skull. The phase composition and structure of the crystals have been studied using X-ray diffraction, TEM and Raman spectroscopy. The mechanical properties such as microhardness and fracture toughness have been studied using Vickers indentation. It has been shown that the (ZrO2)0.995-х(Sm2O3)х(СеО2)0.005 solid solution crystals contain both Се4+ and Се3+ ions. Phase analysis data suggest that СеО2 doping increases the tetragonality degree of the transformable t phase and reduces the tetragonality degree of the non-transformable t' phase as compared to the (ZrO2)1-x(Sm2O3)x crystals. As a result, the t→m phase transition triggered by the indentation-induced stress in the СеО2 doped crystals is more intense and covers greater regions. СеО2 doping of the solid solutions increases the fracture toughness of all the crystals studied whereas the microhardness of the crystals changes but slightly. СеО2 doping of the (ZrO2)1-х(Sm2O3)х solid solutions in the experimental concentration range does not improve the high-temperature phase stability of the crystals and does not prevent high-temperature degradation of their fracture toughness.

The goal of this work was to develop the acrylonitrile-butadiene (NBR) elastomer composites filled with hydroxyapatite (HAP), which were characterized with improved cure characteristics and burning resistance. Silane, i.e., (3-aminopropyl)-triethoxysilane, ionic liquid, i.e., 1-decyl-3-methylimidazolium bromide and surfactant, i.e., cetyltrimethylammonium bromide, were used to improve the filler’s dispersibility in the elastomer matrix and to reduce the time and temperature of vulcanization. The effect of HAP and dispersants on the cure characteristics, crosslink density and physico-chemical properties of NBR composites was explored. The additives used, especially the ionic liquid and surfactant, effectively improved the dispersion of HAP in NBR matrix. The amount of HAP and the dispersant used strongly affected the cure characteristics and crosslink density of NBR. The optimal vulcanization time significantly increased with HAP content and was pronouncedly reduced when ionic liquid and surfactant were applied. In addition, ionic liquid and surfactant significantly lowered the onset vulcanization temperature, improved the crosslink density and hardness of the vulcanizates, while impairing their elasticity. HAP and dispersants did not significantly affect the damping properties and chemical resistance of NBR vulcanizates. Above all, application of HAP considerably enhanced the resistance of vulcanizates to thermo-oxidative aging and reduced their flammability compared to the unfilled NBR.

The goal of this study is to synthesize, determine the structure, and examine the antimicrobial properties of novel metal complexes of 2,4-dithiouracil and its derivatives. These complexes were obtained by mixing aqueous solutions of the corresponding metal salts with the ligand dissolved in DMSO and aqueous NaOH, using a metal-to-ligand ratio of 1:4:2. The structures of the new compounds were analyzed by melting point determination, microwave plasma atomic emission spectrometry (MP-AES) for Cu and Au, inductively coupled plasma optical emission spectrometry (ICP-OES) for S, ATR, solution and solid-state NMR and Raman spectroscopy. The interpretation of the complex spectra was aided by data for 2,4-dithiouracil obtained from 1H-1H COSY, DEPT-135, HMBC, and HMQC spectra. Additionally, the antimicrobial activity of these complex-es and the free ligands was evaluated against Gram-positive and Gram-negative bacteria, as well as yeasts.

Pipelines extend thousands of kilometers to transport and distribute oil and gas. Given the challenges often faced with corrosion, fatigue, and other issues on steel pipes, the demand for glass fiber reinforced plastics (GFRP) pipes is increasing in the oil and gas gathering and transmission systems. However, the medium transported through these pipelines contains multiple acid gases such as CO2 and H2S, as well as ions including Cl-、Ca2+、Mg2+、SO42-、CO32- and HCO3-. These substances can cause a series of problems, such as aging, debonding, delamination, and fracture. In this study, a series of aging damage experiments were conducted on V-shaped GFRP pipes with depths of 2mm and 5mm. The aging and failure of GFRP were studied under the combined effects of external force and acidic solution using acoustic emission (AE) techniques. It was found that the acidic aging solution promoted matrix damage, fiber/matrix desorption, and delamination damage in GFRP pipes over a short period. However, the overall aging effect was relatively weak. Based on the experimental data, the SSA-LSSVM algorithm was proposed and applied to the damage pattern recognition of GFRP. An average recognition rate of up to 90% was achieved, indicating that this method is highly suitable for analyzing AE signals related to GFRP damage.

The application possibilities of austenitic stainless steels in high friction, abrasion and sliding wear conditions are limited by their inadequate hardness and tribological characteristics. In order to improve these properties, thermochemical treatment of their surface by plasma nitriding is suitable. This article is focused on corrosion resistance of the conventionally plasma nitrided AISI 304 stainless steel (530 °C, 24 hours) in 0.05 M and 0.5 M sodium chloride solutions at room temperature (20 ± 3 °C), tested by potentiodynamic polarization and electrochemical impedance spectroscopy. The optical microscopy, scanning electron microscopy, energy-dispersive X-ray spectroscopy and X-ray photoelectron spectroscopy are used for the nitrided layer characterization. The experiment results point to a significant reduction in corrosion resistance after performed plasma nitriding even in a solution with a very low chloride concentration (0.05 mol/L).

ATTO 565, a Rhodamine-type dye, has garnered significant attention due to its remarkable optical properties, such as a high fluorescence quantum yield, it is a relatively stable structure, and has low biotoxicity. ATTO 565 has found extensive applications in combination with microscopy technology. In this review, the chemical and optical properties of ATTO 565 are introduced, along with the principles behind them. Then, the functionality of ATTO 565 in confocal microscopy, stimulated emission depletion (STED) microscopy, single-molecule tracking (SMT) techniques, and fluorescence correlation spectroscopy (FCS) is discussed. These studies demonstrate that ATTO 565 plays a crucial role in areas such as biological imaging and single-molecule localization, thus warranting further in-depth investigation. Finally, we present some prospects and concepts for the future applications of ATTO 565 in the fields of biocompatibility and metal ion detection.

The objective of this investigation was to characterize the antimicrobial activity of the natural preservative, intended for cosmetic purpose, Kopraphinol (INCI name: Lactobacillus/Radish Root Ferment Extract Filtrate). It was tested against a panel of selected bacteria and mycetes by using conventional microbiological techniques (determination of MIC, time killing assay), and a chal-lenge test was used to verify its potential preservative in an O/W cream. Kopraphinol has shown an interesting antimicrobial effectiveness comparable to methylparaben. Moreover, it fulfilled challenge test criterion A and has proven effective against microbial contamination. The results obtained show that Kopraphinol can be considered a promising and effective candidate for anti-microbial preservation of cosmetics and could successfully complement or even replace conven-tional preservatives.

Herein, we investigated hydrogels composed of boronic Acid functionalized alginate and blended with polyvinyl alcohol of different molecular weights to control the release of metoclopramide hydrochloride (MTC) as a function of pH and shear stress. The functionalization of alginate introduced dynamic covalent bonding and pH-responsive properties that can modulate network connectivity. The study investigated the viscoelastic properties of the hydrogels, their drug release profiles, and their responsiveness to changes in pH and shear forces. The results showed higher PVA molecular weight and alkaline pH conditions increased hydrogel viscosity and stiffness due to a more stable and interconnected network structure than acidic pH. Metoclopramide release revealed that the hydrogels exhibited pH-responsive drug release behavior. The drug was more readily released under acidic conditions due to the instability of sp2-hybridized boronate ester bonds. The influence of shear forces on the release of metoclopramide was also investigated at shear rates of 1, 10, and 100 s-1, revealing their effect on matrix stiffening. The research shows that AlgBA/PVA hydrogels have unique properties, such as dynamic covalent bonding, that make them sensitive to external mechanical forces. This sensitivity makes them ideal for applications where physiological conditions trigger drug release

Indole derivatives are key components of natural products and possesses a wide range of biological and pharmaceutical applications. Here we present the synthesis of a new indole derivative namely 2-(1-ethyl-5-nitro-1H-indole-7-carbonyl) butyl 4-methylbenzenesulfonate (5). The structural elucidation of 5 was accomplished through comprehensive spectroscopic analysis, including Fourier-transform infrared spectroscopy (FTIR), nuclear magnetic resonance (NMR), and high-resolution mass spectrometry (HRMS). Our molecular docking study revealed that compound 5 exhibits strong affinity towards Tyrosinase, making it a promising candidate as an antioxidant agent. Keywords: Indole derivative; Tosyl group; Molecular docking; Antioxidant agent.

This study investigates the properties of solution processed hybrid pol-yimide, PI nanocomposites containing a variety of nanofillers, including polyaniline copolymer modified clay, PNEA, nanographene sheets, NGS, and carbon nanotube sheet, CNT-PVDF, respectively. Through a series of experiments, the flow behavior of poly(amic acid), PAA solution and PAA suspension containing polyaniline copolymer modified clay, PNEA was determined as a function of the shear rate, processing temperature and polymerization time. It is shown that the neat PAA solution exhibited a complex rheological behavior ranging from shear thickening to New-tonian behavior with increasing shear rate and testing temperature. The presence of modified clay in PAA solution significantly reduced the viscosity of PAA. Differential Scanning Calorimetry (DSC) analysis show that polyimide-nanographene sheets, PI NGS nanocomposites processed at high spindle speed (100 rpm) had lower total heat of decomposition which is indicative of improved fire retardancy. The effect of processing temperature on the specific capacitance of polyimide-CNT-PVDF composites containing electrodeposited polypyrrole fillers was determined by using cyclic voltammetry, CV. It was shown that the hybrid composite working electrode material processed at 90˚C produced a remarkably higher overall stored charge when compared to the composite electrode material processed at 250˚C. Consequently, the specific capacitance ob-tained at a scan rate of 5 mV/s for the hybrid nanocomposite processed at 90°C was about 858 F/g after 1 cycle, which is about 6.3 times higher than the specific capacitance of 136 F/g produced by the hybrid nanocomposite processed at 250°C. These findings show that the properties of the hybrid nanocomposites are remarkably influenced by the processing conditions and highlights the need for process optimization.

The increasing emergence of multidrug resistant (MDR) pathogens, due to antibiotics misuse, translates in obstinate infections, with high morbidity and high-cost hospitalizations. To oppose these MDR superbugs, new antimicrobial options are necessary. Although both quaternary ammonium (QASs) and phosphonium salts (QPSs) possess antimicrobial effects, QPSs have been studied at lesser extent. Recently, we have successfully reported on the bacteriostatic and cytotoxic effects of a triphenyl phosphonium salt against MDR isolates of Enterococcus and Staphylococcus genus. Here, aiming at finding new antibacterial devices possibly bactericidal towards a broader spectrum of clinically relevant bacteria, responsible for severe human infections, we synthesized a water-soluble, sterically hindered quaternary phosphonium salt (BPPB). It encompasses two triphenyl phosphonium groups linked by a C12 alkyl chain, thus embodying the characteristics of molecules known as bola-amphiphiles. BPPB was characterized by ATR-FTIR, NMR and UV spectroscopy, FIA-MS (ESI), elemental analysis and potentiometric titrations. Optical and DLS analyses evidenced BPPB tendency to self-forming spherical vesicles in solution (45 nm by DLS), having a positive zeta potential (+18 mV). The antibacterial effects of BPPB were for the first time assessed against fifty clinical isolates of both Gram-positive and Gram-negative species. Excellent antibacterial effects were observed on all strains tested, involving all the most worrying species included in ESKAPE bacteria. The lowest MICs were 0.250 µg/mL, while the highest ones (32 µg/mL) were observed on MDR Gram-negative metallo-β-lactamase-producing bacteria and/or species resistant also to colistin, carbapenems, cefiderocol, so that intractable with current available antibiotics. Moreover, when administered to HepG2 human hepatic and Cos-7 monkey kidney cell lines, BPPB showed selectivity indices > 10 for all Gram-positive isolated and for clinically relevant Gram-negative superbugs such as those of E. coli species, thus being very promising to be clinically developed.

In this study, unlike conventional methods for producing vanadium (3.5+) electrolyte by VOSO4 and V2O5, a batch-type hydrothermal reactor was used to produce a vanadium (3.5+) electrolyte for vanadium redox flow batteries through a reduction reaction. The starting material, V2O5, was mixed with different concentrations of citric acid (0.8M, 1.2M, 1.6M, 2.0M) as reducing agent and stirred using a hot plate at 90°C for 60 minutes to achieve complete dispersion in the solution. The resulting solution was then subjected to a hydrothermal reduction reaction in a furnace at 150°C for 24 hours to produce vanadium (3.5+). The mixed state of the produced vanadium (3+) and vanadium (4+) was confirmed using UV-vis spectroscopy. Electrochemical properties were investigated through CV analysis, confirming that the optimal concentration was 1.6M. Charge and discharge experiments were conducted to compare the current efficiency, energy efficiency, and voltage efficiency of the electrolyte prepared by the hydrothermal reduction process and the electrolyte prepared by VOSO4. As a result, the electrolyte produced through the hydrothermal reduction process showed improved performance in all efficiencies. The results shows that vanadium (3.5+) electrolyte could be easily produced through a reaction process using citric acid.

A series of nanospherical shaped silicates containing heteroatoms (Al, Zr or Ti) were successfully synthesized using TEOS or silica colloids as silicon source. These metallosilicate nanospheres were used as silicon nutrients to obtain silicalite zeolites having micro-mesoporosity with improved textural properties. The results demonstrated that TEOS acted as a suitable silicon source to produce amorphous silicates and a spherical-type hierarchical zeolite architecture with Zr and Ti heteroatoms included in their framework, with preferable particle size and crystallinity. The surface functionality of the mesostructured nanospheres and zeolite silicates provide active centers for the esterification of glycerol with acetic acid (EG) reaction. Besides, the dispersion of Cu or Fe entities on the surface of the nanospherical silicates and zeolites provided good catalytic performances in the esterification of glycerol to valuable acetins.

Due to the optical properties of the Electron Transport Layer (ETL) and Hole Transport Layer (HTL), inverted perovskite solar cells can perform better than traditional perovskite solar cells. It is essential to compare both types to understand their efficiencies. In this article, we studied inverted perovskite solar cells with NiOx/CH3NH3Pb3/ETL (ETL = MoO3, TiO2, ZnO) structures. Our results showed that the optimal thickness of NiOx is 80 nm for all structures. The optimal perovskite thickness is 600 nm for solar cells with ZnO and MoO3, and 800 nm for those with TiO2. For the ETLs, the best thicknesses are 100 nm for ZnO, 80 nm for MoO3, and 60 nm for TiO2. We found that the efficiencies of inverted perovskite solar cells with ZnO, MoO3, and TiO2 as ETLs, and with optimal layer thicknesses, are 30.16%, 18.69%, and 35.21%, respectively. These efficiencies are 1.5%, 5.7%, and 1.5% higher than those of traditional perovskite solar cells. Our study highlights the potential of optimizing layer thicknesses in inverted perovskite solar cells to achieve higher efficiencies than traditional structures.

Polymeric composites are prone to undergo damage, such as microcracks, during their operation, that can ultimately lead to catastrophic failure. To contradict such problem, effort has been put, by the scientific community, towards developing self-healing composites that, by mimicking biological systems, can autonomously and prematurely repair flaws, extending durability and improving security of materials. The present review explores the progress being made in such area, focusing on extrinsic self-healing methods, considering that they can be employed to a variety of materials. Reservoir-based techniques, that resort to capsules, hollow fibers or microvascular networks, and thermoplastic-based ones are overviewed, prioritizing innovative approaches made in recent years. At last, promising practical applications for self-healing composites are highlighted and future challenges and opportunities are pointed out.

Biosensors are smart devices that convert biochemical responses to electrical signals. Designing biosensor devices with high sensitivity and selectivity is of great interest because of their wide range of functional operations. However, the major obstacles in the practical application of biosensors are their binding affinity toward biomolecules and the conversion and amplification of the interaction to various signals such as electrical, optical, gravimetric, and electrochemical signals. Additionally, enhancement of sensitivity, limit of detection, time of response, reproducibility, and stability are considerable challenges when designing an efficient biosensor. In this regard, hybrid composites have high sensitivity, selectivity, thermal stability, and tunable electrical conductivities. The integration of phthalocyanines (Pcs) with conductive materials such as carbon nanomaterials or metal nanoparticles (MNPs) improves the electrochemical response, signal amplification, and stability of biosensors. This review explores recent advancements in hybrid Pcs for biomolecule detection. Herein, we discuss the synthetic strategies, material properties, working mechanisms, and integration methods for designing electrochemical biosensors. Finally, the challenges and future directions of hybrid Pc composites for biosensor applications are discussed.

The utilization of black mulberry fruit as a precursor for C-dot synthesis represents a novel ap-proach to biosynthesizing C-dots. Through the implementation of a hydrothermal autoclave, we successfully produced C-dots using the fruit extract. This environmentally conscious and sustain-able method of synthesis presents a promising avenue for C-dot production. Our findings demon-strate the remarkable photocatalytic activity of the C-dots, as evidenced by their effective degra-dation of pollutants under visible light irradiation. This discovery holds significant implications for addressing water contamination issues and promoting environmental remediation efforts. Fur-thermore, we conducted a thorough investigation to determine the optimal doping concentration of C-dots, ultimately identifying 0.2 M as the ideal concentration. At this specific concentration, the photo catalytic degradation of pollutants reached an impressive rate of 95.8%. The enhanced photocatalytic activity can be attributed to the increased electron trapping resulting from the presence of additional surface sites and the absorption of different wavelengths of light. In sum-mary, this research contributes to the sustainable synthesis of carbon dots using black mulberry fruits as a precursor, while also providing a comprehensive analysis of their optical and photo-catalytic properties.

in the context of advanced nanomaterials research, nanogels have recently gained considerable attention for their versatility and promising biomedical applications. To date, a significant number of nanogels have been developed to meet the growing demands in various fields of biomedical research. Summarising preparation methods, physicochemical and biological properties and recent applications of nanogels may be useful to help exploring new directions for their development. This article presents a comprehensive overview of the latest nanogel synthesis methodologies, highlighting advances in formulation with different types of hydrophilic or amphiphilic polymers. It also underlines recent biomedical applications of nanogels in drug delivery and imaging, with a short section dedicated to biosafety considerations of these innovative nanomaterials. In conclusion, this article summarises recent innovations in nanogel synthesis and their numerous applications, highlighting their considerable potential in the biomedical field.

Molecular hybridization is a widely used strategy in drug discovery and development processes that consists in the combination of two bioactive compounds toward a novel entity. In the current study, two libraries of hybrid derivatives coming from the linkage of sesquiterpene counterparts dihydroartemisinin and artesunic acid with a series of monoterpenes were synthesized and evaluated by cell viability assay on primary and metastatic melanoma cell lines. Almost all the obtained compounds showed micromolar antimelanoma activity and selectivity toward the metastatic form of this cancer. Four hybrid derivatives containing perillyl alcohol, citronellol, and nerol as monoterpene counterpart, emerged as the best compounds of the series, with nerol being active in combination with both sesquiterpenes, dihydroartemisinin and artesunic acid. Preliminary studies on the mechanism of action have shown the dependence of the pharmacological activity of newly synthesized hybrids on the formation of carbon- and oxygen-centered radical species. This study demonstrated the positive modulation of the pharmacodynamic effect of artemisinin semisynthetic derivatives dihydroartemisinin and artesunic acid due to the hybridization with monoterpene counterparts.

The self-assembly is an intriguing process of great importance in general soft matter and thus re-ceives an ever-growing scientific interest. Its most trivial example is the entropy-driven crystalli-zation of hard spheres. Past works have established the similarities and differences in the phase behavior of monomers and chains made of hard spheres. In the present work, inspired by the dif-ference in the melting points of the pure components, we study, through Monte Carlo simulations, the phase behavior of athermal mixtures composed of fully flexible polymers and individual monomers of uniform size. We analyze how the relative number fraction and the packing density affect crystallization and the established ordered morphologies. A synergetic effect is observed in the crystallization leading to synchronous crystallization of the two species. Structural analysis of the resulting ordered morphologies shows perfect mixing and thus no phase separation, which could split the system into polymer-rich and monomer-rich domains. Due to the constraints imposed by chain connectivity, the local environment of the individual spheres is systematically more spherical and more symmetric compared to the one of spheres belonging to chains. In general, increasing polymer content leads to reduction of the degree of crystallinity. According to the present findings, relative concentration is another determining factor to control the phase behavior of hard colloidal systems based on polymers.

The achievement of size uniformity and monodispersity in perovskite quantum dots (QDs) requires the implementation of precise temperature control and the establishment of optimal reaction conditions. Nevertheless, the accurate control of a range of reaction variables represents a considerable challenge. This study addresses the aforementioned challenge by employing manganese (Mn) doping to achieve size uniformity in CsPbBr₃ perovskite QDs without the necessity for precise control of the reaction conditions. By optimizing the Mn:Pb ratio, it is possible to successfully dope CsPbBr₃ QDs with appropriate concentrations of Mn²⁺ and achieve a uniform size distribution. The spectroscopic measurements on single QDs indicate that the appropriate Mn²⁺ concentrations can result in a narrower spectral linewidth, a longer photoluminescence (PL) lifetime, and a reduced biexciton Auger recombination rate, thus positively affecting the PL properties. This study not only simplifies the size control of perovskite QDs, but also demonstrates the potential of Mn-doped CsPbBr₃ QDs for narrow linewidth light-emitting diode applications.

This study aimed to develop a high-quality dry emulsion incorporating omega-3, 6, and 9 fatty acid-rich ostrich oil for use as a dietary supplement. Extracted from abdominal adipose tissues using a low-temperature wet rendering method, the ostrich oil exhibited antioxidant properties, favorable physicochemical properties, microbial counts, heavy metal levels, and fatty acid compositions, positioning it as a suitable candidate for an oil-in-water emulsion and subsequent formulation as a dry emulsion. Lecithin was employed as the emulsifier due to its safety and health benefits. The resulting emulsion, comprising 10% w/w lecithin and 10% w/w ostrich oil, was stable, with a droplet size of 3.93 ± 0.11 μm. This liquid emulsion underwent transformation into a dry emulsion to preserve the physicochemical stability of ostrich oil, utilizing Avicel® PH-101 or Aerosil® 200 through a granulation process. Although Aerosil® 200 exhibited superior adsorption, Avicel® PH-101 granules surpassed it in releasing the ostrich oil emulsion. Consequently, Avicel® PH-101 was selected as the preferred adsorbent for formulating the ostrich oil dry emulsion. The dry emulsion, encapsulated with a disintegration time of 3.11 ± 0.14 min for ease of swallowing, maintained microbial loads and heavy metal contents within acceptable limits. Presented as granules containing butylated hydroxytoluene, the dry emulsion showcased robust temperature stability, suggesting the potential incorporation of animal fat into dry emulsions as a promising dietary supplement.

Objective: The effect of long-term performance of one-bottle or two-bottle bonding agents on the shear bond strength to lithium disilicate ceramics (LDS) were to investigate, and the long-term performance of the bond strength of two-bottle bonding agent (Tokuyama Universal Bond II) was investigated under conditions without hydrofluoric acid solution (abbreviated as HF)-pretreatment of LDS. Methods: Nine resin cements (both self-adhesive and adhesive types) were used. It was investigated 1) the adhesion strength of various resin cements to LDS from the presence or absence of HF-treatment, 2) to determine the effect of the deterioration in three times [after one-day storage (abbreviated as Base), and after 5,000 & 20,000 thermocycles (abbreviated as TC 5k and TC 20k)] of one- and two-component bonding agents. And the difference in degradation between one- and two-component bonding gents consist of the silane coupling agent was performed by chemical analysis (High Performance Liquid Chromatography). Results: The trends of resin cements were statistically not very different for each cement 3 times with HF-conditions. Also ESTECEM II and Super-Bond Universal showed the significant greatest values in two conditions (TC 5k and TC 20k) without HF-condition. In TC 20k, ESTECEM II & Super-Bond Universal showed significantly better results than others when treated with the recommended bonding agents without HF-condition. In TC 20k, there was not much statistically significant difference if pretreated with Tokuyama Universal Bond II without HF-condition. Significance: When using LDS, it was found that long-term durability could be maintained by pretreating with Tokuyama Universal Bond II without pretreating with various hazardous HFs.

Here, we consider a closed composite system consisting of a primary system where the chemical reaction occurs and is located in a p, T reservoir. In the ideal isentropic case (thermodynamic process), the change in the internal energy of the composite system (due to a chemical reaction) is wholly converted into useful work - maximum useful work. Irreversibility - a measure for the degradation of useful work - in a closed system generates entropy, i.e., the thermodynamic process is no longer isentropic. Applying the principle of maximum entropy and minimum internal energy to a part of the system's total volume and applying the elements of the system's volume for which the law of local equilibrium applies useful work and irreversibility can be defined. Suppose the primary system is viewed as a set of black box volume elements in which a chemical reaction occurs. In that case, the criterion of an isentropic process or a process with entropy generation becomes the Gibbs-Duham equation. It has been proven that De Donder's equation of entropy production of a chemical reaction is a particular form of Calen's equation –TdST = dUT where dST is the differential change of total entropy and dUT is the differential change of total internal energy of the composite system.

Tunable hydrogels have gained significant attention in the bioengineering field due to their designer preparation approach. Towards this end, gelatine stands out as a promising candidate owing to the desirable attributes, such as biocompatibility, ability to support cell adhesion and proliferation, biodegradability, along with being cost-effective. This study presents the preparation of a robust gelatine hydrogel employing sacran dialdehyde (SDA) as a natural crosslinker. The resulting SDA-crosslinked gelatine hydrogels (GSDA) display an optimal compressive stress of 0.15 MPa at 50% strain, five times higher as compared to pure gelatine hydrogel. As SDA crosslinking concentration is increased, swelling capacity of GSDA declines. Probing further with FTIR spectroscopy and SEM at the micron-scale unveiled a dual-crosslinking mechanism within the hydrogels. This mechanism encompasses both short- and long-range covalent crosslinking, along with thermo-reversible physical crosslinking, resulting in a significant enhancement of the load-bearing capacity of the fabricated hydrogels.

Chitosan is a biodegradable polymer derived from chitin, that is a versatile material for various biological applications for its attractive properties such as biocompatibility, biodegradability, and non-toxicity. Furthermore, chitosan possesses Second Harmonic Generation properties, that are useful for bio-sensing applications. In this work we explored the possibility to exploit chitosan-based nanospheres as SHG-based bio-sensors, and also as carriers of 89Sr radionuclide, an Active Pharmaceutical Ingredient for radiopharmaceutical treatments in cancer therapy. To load opportunely the Sr ion on the nanospheres, we used a fructose-based Metal Organic Framework, of formula [Sr(C6H12O6)2(H2O)2]Cl2·H2O, because the sugar was able to drive the Sr ions on the chitosan matrix. The Sr-loaded chitosan nanospheres were synthetized, characterized, and their SHG response was measured. The results encouraged us to propose the nanospheres for theranostic purposes, i.e. at the same time valuable for both therapy and diagnostic applications.

Exploiting the van der Waals model of liquids, it is possible to derive analytical formulas for the thermodynamic functions governing solvation, the transfer of a solute molecule from a fixed position in the ideal gas phase to a fixed position in the liquid phase. The solvation Gibbs free energy change consists of two contributions: (a) the high number density of all liquids and the repulsive interactions due to the basic fact that each molecule has its own body lead to the need of spending free energy to create a cavity suitable to host the solute molecule; (b) the ubiquitous intermolecular attractive interactions lead to a gain in free energy for turning on attractions between the solute molecule and surrounding liquid molecules. Also the solvation entropy change consists of two contributions: (a) there is an entropy loss in all liquids because the cavity presence limits the space accessible to liquid molecules during their continuous translations; (b) there is an entropy gain in all liquids, at room temperature, due to the liquid structural reorganization as a response to the perturbation represented by solute insertion. The latter entropy contribution proves to be balanced by a corresponding enthalpy term. This scenario emerged from the van der Waals model is in qualitative agreement with experimental results.

The development of novel ionic liquid crystals for energy storage applications has gained significant attention in recent years due to their potential to develop the field of energy storage. Ionic liquid crystals represent a unique class of materials with high ionic conductivity and thermal stability, making them ideal candidates for use in advanced energy storage devices. This research aims to explore the fundamental properties, structure and liquid crystals performance of these novel materials, with the goal of advancing their practical application in next-generation energy storage technologies. By understanding the structure-function relationship of ionic liquid crystals, researchers can tailor their properties to meet specific energy storage requirements, such as high energy density, fast charging capabilities, and long cycle life. This study seeks to contribute to the growing body of knowledge in the field of energy storage by investigating the potential of novel ionic liquid crystals as efficient and sustainable energy storage solutions. The two ionic liquid crystals show mesomorphic behavior and typical zwitterion characteristics that revealed by the cyclic voltammetry techniques. These materials uploaded with lithium ions for more stability and higher ionic conductivity.

This research is concentrated on the physical technique of carbon activation from carbon-based material such as bamboo. In addition, we impregnated the activated carbon by use of experimental methods. In the first case, the results from various parameters on the carbon activation process, such as kiln rotation speed, steaming time, calcination temperature and heating rate at the different levels has been investigated on iodine number of activated carbon. Using the Taguchi method and ANOVA analysis, the optimal test results were obtained which are as follows: steaming time and calcination temperature were the most influential factors and heating rate and kiln rotation speed were the less influential factors in the process. In the second case, palladium-impregnated activated carbon (Pa/AC) was prepared at different conditions of the experiment and effects of optimum ratios on the responses have been studied.

The article presents data on research of processes of obtaining concentrated phosphoric acid from Karatau phosphate rock. The research of purification of wet-process phosphoric acid by the method of liquid extraction with organic solvents is given. The influence of magnesium salts and sulfuric acid as impurities on the distribution factor of phosphoric acid is determined. It is shown that with increasing the initial concentration of phosphoric acid from 5.38 to 25.61% P2O5, the distribution factor at 25°C increases from 0.178 to 0.436 for n-butyl alcohol, from 0.06 to 0.183 for isoamyl alcohol, and from 0.120 to 0.320 for tributyl phosphate. Increasing the temperature from 25 to 60°C had little or no effect on the distribution factor. It was determined that the distribution factors of phosphoric acid depend on the initial concentration of phosphoric acid in the presence of sulfuric acid. It is shown that phosphoric acid is extracted better with n-butanol. Extraction of phosphoric acid with n-butanol on the principle of counterflow with subsequent azeotropic distillation of the solvent allows to obtain relatively pure and highly concentrated (56-63% of P2O5) phosphoric acid. The process of dehydration of phosphoric acid in the presence of sulfuric acid in the mixture was studied.

Human serum albumin (HSA) corona formation at polymer microparticles of a spheroidal shape was studied using dynamic light scattering and laser Doppler velocimetry (LDV). Physicochemical characteristics of the albumin comprising, the zeta potential and the isoelectric point were determined as a function of pH for various ionic strengths. Analogous characteristics of the polymer particles were carried out. The adsorption of albumin on the particles was monitored by electrophoretic mobility measurements (LDV). The stability of the HSA functionalized particle suspensions under various pHs and their electrokinetic properties were determined. The deposition kinetics of the particles on mica, silica and gold sensors were determined in situ by optical microscopy, AFM and by the quartz microbalance (QCM) under diffusion and flow conditions. The obtained results were interpreted in terms of the coarse-grained random sequential adsorption model that allowed to estimate the range of applicability of QCM for determining deposition kinetics of virus and bacteria at abiotic surfaces.

This study examined the thermal reflective properties and mechanisms of composite inorganic coatings applied to various wall types. It evaluated the influence of these coatings on the thermal insulation and reflectivity of walls. The findings indicate that coating application markedly enhances the wall's thermal insulation capabilities and increases the heat flux reflection ratio. These results offer crucial theoretical backing and practical guidance for the future use of coating technologies in construction. By refining the coating formulations and application processes, the thermal insulation properties of walls can be further enhanced, thus making a significant contribution to building energy efficiency and environmental protection. Consequently, this research provides essential references and insights for advancing coating technology in the construction industry.

In marine ecosystems communication among microorganisms is crucial since the distance is significant if considered on a microbial scale. One of the ways used by microorganism cells to reduce this gap is the production of extracellular vesicles. Marine bacteria release extracellular vesicles (EVs), small membrane-bound structures of 50 to 250 nm diameter, into their surrounding environment. The vesicles contain various cellular compounds, including lipids, proteins, nucleic acids, and glycans. EVs may mediate the communication between microorganisms in aquatic environments thus influencing ecosystem function and determining the structure and composition of microbial populations. This review will focus on marine bacterial EVs analysing their structure, composition, functions, and applications.

Methylene blue has been electropolymerized on the surface of a stainless steel 316. The addition of sodium oxalate and working at a pH near 11 has allowed to obtain steel electrodes coated with electroactive polymer. This polymer shows electrochromic properties similar to those of the monomer, but also appears electroactivity at more positive potentials which is associated to the active centers in the bridges between monomeric units. The study by means of digital video electrochemistry has allowed on the one hand, to quantify the color changes on the entire surface of the stainless steel simultaneously and by means of the mean color intensities to separate the contribution to the overall polymer response of the active centers of the phenothiazine ring and of the inter-monomer bonds. A reduction mechanism for the polymer compatible with the pH variation of the observed electrochemical behavior is proposed.

Electrochromic measurements have been performed throughout the full composition range of reactive magnetron-sputtered mixed Titanium oxide and Molybdenum oxide (TiO2-MoO3) to search for enhanced Coloration Efficiency (CE). Optical parameters and composition have been determined and mapped by using Spectroscopic Ellipsometry (SE). Scanning Electron Microscopy (SEM) with Energy-Dispersive X-ray Spectroscopy (EDS). EDS has been used to check the SE results as it was used in our earlier paper [N. T. Ismaeel et al, Materials 2023, 16(12), 4204] for (TiO2-SnO2). Ti and Mo targets were put separately from each other, and the Indium-Tin-Oxide (ITO) covered glass and Si-probes on a glass substrate (30 cm × 30 cm) were moved under the two separated targets (Ti and Mo) in a reactive Argon-Oxygen (Ar-O2) gas mixture. By using this combinatorial process, all the compositions (from 0 to 100%) were achieved in the same sputtering chamber after one sputtering process. The CE (the change of light transmission for the unit electric charge) of mixed metal oxides (TiO2-MoO3) that are deposited by reactive sputtering has been studied in an electrochemical cell. This paper aims to assess the results of investigations of such materials showing the enhanced electrochromic behavior compared to the pure materials and to enhance the Coloration Efficiency.

Electronic skin is widely employed in multiple applications such as health monitoring, robot tactile perception, and bionic prosthetics. In this study, we fabricated millimeter-scale electronic skin featuring compact sensing units using Boston Micro Fabrication S130 (a high-precision additive manufacturing device) and the template removal method. We used a gallium-based liquid metal and achieved an inner channel diameter of 0.1 mm. The size of the sensing unit was 3 × 3 mm². This unit exhibited a wide linear sensing range (10–22000 Pa) and high pressure resolution (10 Pa) even on an ultracurved surface (radius of curvature was 6 mm). Sliding was successfully detected at speeds of 8–54 mm/s. An artificial nose with nine sensing units was fabricated, and it exhibited excellent multitouch and sliding trajectory recognition capabilities. This confirmed that the electronic skin functioned normally even on an ultracurved surface.

Japanese plum tree (Prunus salicina Lindl.) is mainly cultivated in temperate areas of China and some European countries. Certain amounts of wood (from pruning works) are generated every year from this crop of worldwide commercial significance. The main objective of this work was to value this agricultural woody residue, for which the chemical composition of pruning wood extracts from six Japanese plum cultivars was investigated, and the antiproliferative activity of extracts and pure phenolics present in those extracts was measured. For the chemical characterization, total phenolic content and DPPH radical-scavenging assays and HPLC‒DAD/ESI‒MS analyses were performed, the procyanidin (‒)-ent-epicatechin-(2α→O→7,4α→8)-epicatechin (5) and the propelargonidin (+)-epiafzelechin-(2β→O→7,4β→8)-epicatechin (7) being the major components of the wood extracts. Some quantitative differences were found among plum cultivars, and the content of proanthocyanidins ranged from 1.50 (cv. ‘Fortune’) to 4.44 (cv. ‘Showtime’) mg/g of dry wood. Regarding the antitumoral activiy, eight wood extracts and four phenolic compounds were evaluated in MCF-7 cells after 48 h of induction, showing the wood extract from cv. ‘Songold’ and (‒)-annphenone (3) the best antiproliferative activity (IC50: 424 ppm and 405 ppm, respectively).

A decanter centrifuge has been employed to successfully separated phosphoric acid and rare-earth-element (REE)-containing particles from phosphoric acid sludge with concentrations ranging from 1,000 to 2,200 ppm REEs. Operating efficiently with up to 35 wt.% solids, the centrifuge was demonstrated to achieve approximately 95% phosphoric acid recovery and 90% REEs recovery in a single pass, eliminating the need for additional processing steps. This breakthrough supports a proposed REEs oxide recovery process integrating phosphoric acid (PA), elemental phosphorus (P4), and REEs into two potential pathways: PA-REO and PA-P4-REO. These processes aim to reintroduce recovered phosphoric acid into the main product to significantly increase output and revenue. Post-separation, phosphorus-rich particles can be converted to P4, while REEs-containing solids undergo further treatment including acid leaching, extraction/stripping, precipitation, and calcination to produce a marketable rare-earth oxide (REO) material. Techno-economic analysis indicates promising profitability, with the PA-REO process showing a delta net present value (∆NPV) of $441.8 million and an expected return within a year of construction, while the PA-P4-REO process yields a ∆NPV of $178.7 million over a 12-year return period. Both pathways offer robust financial prospects and demonstrate the feasibility of commercial-scale REEs recovery from phosphoric acid sludge.

The work presents the results of studying dilute aqueous solutions of commercial Ln(NO3)3 · xH2O salts with Ln=Ce-Lu using X-ray diffraction (XRD), IR spectroscopy, X-ray absorption spectroscopy (XAS: EXAFS/XANES) and pH measurements. As a reference point, XRD and XAS measurements for characterized Ln(NO3)3 · xH2O microcrystalline powder samples were performed. The local structure of Ln-nitrate complexes in 20 mM Ln(NO3)3 · xH2O aqueous solution was studied under total external reflection conditions and EXAFS geometry was applied to obtain high-quality EXAFS data for solutions with low concentrations of Ln3+ ions. Results obtained by EXAFS spectroscopy showed significant contraction of the first coordination sphere during the dissolution process for metal ions located in the middle of the lanthanide series. It was established that in Ln(NO3)3 · xH2O solutions with Ln=Ce, Sm, Gd, Yb (c=134, 100, 50 and 20 mM) there are coordinated and, to a greater extent, non-coordinated nitrate groups with bidentate and predominantly monodentate bonds with Ln ions, the number of which increases upon transition from cerium to ytterbium. Cross-relationships between the concentration of solutions, pH value and antimicrobial activity with the type of Ln = Ce, Sm, Gd, Yb were established, as well as the absence of biocidal properties of solutions with a concentration of 20 mM, except for Ln = Yb. The important role of experimental conditions in obtaining and interpreting the results was noted.

For centuries, humans have relied on natural products to prevent and treat numerous health issues. However, biologically active compounds from natural sources, such as polyphenols, face significant challenges, including low solubility, rapid metabolism, and instability, which hinder their effectiveness. Advances in science and nanotechnology have provided solutions to overcoming these problems through the use of porous silica materials. These materials possess unique properties, such as a high specific surface area, adjustable particle and pore sizes, and a surface that can be easily and selectively modified. In this review, we summarize and discuss findings on how the pore and particle size, structure, and surface modification of silica materials influence the preparation of efficient delivery systems for biologically active polyphenols from natural sources. The available data demonstrate how parameters such as adsorption capacity, release and antioxidant properties, bioavailability, solubility, stability, etc. of the studied delivery systems could be affected by the structural and chemical characteristics of the porous silica carriers.

In this paper, a novel microwave catalyst Ni@SiC/CNFs (NSC), C/Ni (NC), and C/SiC (SC) were successfully synthesized by electrostatic spinning method, and proved to degrade methylene blue with high efficiency under microwave irradiation. The results imply that the catalyst Ni@SiC/CNFs with double shell structure gave a 99.99 % removal rate in 90 s for the degradation of methylene blue under microwave irradiation, outperformed the C/Ni and C/SiC and most other reported catalysts in similar studies. On the one hand, the possible mechanism of the methylene blue degradation should be ascribed to that double shell structure increases the polarization source of the material, resulting in excellent microwave absorption properties; and on the other, the in-situ generation of active species OH• and O2 - under microwave radiation and the synergistic coupling effect of metal plasma greatly improved the degradation efficiency of methylene blue. The findings of this study could provide a valuable reference for the green degradation of industrial dye wastewater and its sustainable development process.

In this study electrophoretic deposition (EPD) technique is used to prepare chitosan-based coatings with enhanced antibacterial activity suitable for bone implants applications. We designed, prepared and compared physic-chemical and biological properties of coatings obtained with commercial chitosan, chitosan enriched with silver nanoparticles and chitosan obtained from insects. With the aim to consider the sustainability issue, silver nanoparticles were directly prepared in the chitosan solution by laser ablation in liquid technique, avoiding the use of chemicals and limiting the production of wastes. Moreover, a sustainable source of chitosan such as Hermetia Illucens exuviae was considered. The EPD process was optimized by adjusting parameters like voltage and deposition time to achieve ideal coating thickness and adhesion. The prepared films were characterized by spectroscopic and microscopic techniques such as SEM, XRD, and FTIR. Antimicrobial tests against E. coli and S. aureus revealed that silver nanoparticles enhanced the antibacterial properties of the polymer, whereas biological evaluation using the WST8 test on MG63 human osteoblasts-like cells showed that all coatings are non-toxic. Finally, chitosan obtained from insect showed comparable properties with respect to the commercial polymer, suggesting it could replace seafood-derived chitosan in biomedical applications, whereas the Ag@chitosan composite demonstrated superior antibacterial activity without compromising its biocompatibility.

The art of dyeing textiles has a long history, as natural dyes have been used since prehis-toric times. With the development of synthetic dyes in the 19th century, the focus shifted from natural to synthetic dyes due to their superior properties. Recently, however, interest in natural dyes has increased again due to environmental and health concerns. Among industrial dyes, heterocyclic dyes, especially azo dyes, are of great importance due to their color brilliance and fastness. This review examines the synthesis, application and analysis of azo dyes, especially heterocyclic dyes. It deals with monoazo, diazo and polyazo dyes and highlights their structures, synthesis methods and fastness properties. In addition, the ecological impact of azo dyes and practical solutions for their synthesis and application are discussed.

Abstract: A perspective is provided which illustrates the central role of quantum mechanics in the structure and periodically varying properties of atoms and in the formation of molecules. Despite having only about one hundred basic building blocks for all substances, chemistry is a subtle discipline due to it’s fundamentally quantum mechanical origin. The atoms, and their behavior as systematized in the Periodic Table, intimately reflect mechanisms natural to quantum mechanics but foreign to classical mechanics. Given their very small mass, the electrons form atomic structures only predictable by the use of quantum mechanics. Thereby the foundation of chemistry is totally dominated by quantum effects which are generally known only empirically, e.g. as in the Periodic Table. Recently these quantum effects have increasingly become known computationally, but not necessarily understood physically and therefore still challenge students and users of chemistry. In order to provide physical insight we extract here, from known facts and relations of quantum mechanics, but without reliance on detailed mathematics or numerical analysis, a simplest, yet fully consistent, physical explanation of atomic structure and periodically variable reactivity. Atomic reactivity is found to arise due to dynamical constraints on electron motion which lead to degeneracy in the atomic energy spectrum. There is a strong correlation between energy degeneracy and reactivity with the inert gas atoms found to display no degeneracy. Chemical bonding follows as a means of atomic reactivity relaxation and reduction of energy degeneracy, achieved by permanent electron rearrangement (ionic bonding) or by oscillatory electron motion between atoms (covalent bonding). Ionic bonding is directly related to the variable stability of atomic structures which extends from neutral atoms to atomic ions. These stable ions then form molecular structures by electrostatic attraction in neutral ionic clusters. The covalent bonding mechanism is fundamentally dynamical and interatomic since it depends directly on the facility with which electrons can move between atomic centers in a molecule. Both the ionic and the covalent mechanism, interatomic displacement and oscillation of electrons, are active in any bond between atoms of different species.

A new two-step method for developing a nanocomposite of polypropylene (PP) decorated with photocatalytically active TiO2 nanoparticles (nTiO2) is proposed. This method involves low-temperature plasma functionalization of polypropylene followed by ultrasound-assisted anchoring of nTiO2. The nanoparticles, polymeric substrate, and resultant nanocomposite were thoroughly characterized using nanoparticle tracking analysis (NTA), microscopic observations (SEM, TEM, EDX), spectroscopic investigations (XPS, FTIR), thermogravimetric analysis (TG/DTA), and water contact angle (WCA) measurements. The photocatalytic activity of the nanocomposites was evaluated through the degradation of methyl orange. The individual TiO2 nanoparticles ranged from 2-6 nm in size. Oxygen plasma treatment of PP generated surface functional groups (mainly -OH and -C=O), transforming the surface from hydrophobic to hydrophilic, which facilitated efficient deposition of nTiO2. Optimized plasma treatment and sonochemical deposition parameters resulted in an active photocatalytic nTiO2/PP system, degrading 80% of methyl orange under UVA irradiation in 200 minutes. The proposed approach is considered versatile for the functionalization of polymeric materials with photoactive nanoparticles and, in a broader perspective, can be utilized for the fabrication of self-cleaning surfaces.

Ice accumulation poses considerable challenges in transportation, notably in the domain of general aviation. The present study combines the strengths and limitations of conventional aircraft de-icing techniques with the emerging trend toward all-electric aircraft. The study aims to utilize laser-induced graphene (LIG) technology to create a multifunctional surface, seamlessly integrating hydrophobic properties with efficient electrical heating to mitigate surface icing effectively. We investigated the utilization of a 10.6 μm CO2 laser for direct writing on polyimide (PI), a widely-used insulating encapsulation material. From the thermomechanical perspective, our initial analysis using COMSOL Multiphysics software revealed that when the laser power P exceeds 5 W, the PI substrate experience ablative damage. The experimental results show that when P ≤ 5W, an increase in power has a positive impact on the quality, surface porosity, roughness reduction, line-spacing reduction, and water contact-angle enhancement of the graphene. Conversely, when P > 5 W, higher power negatively affects both the substrate and the graphene structure by inducing excessive ablation. However, it influences the graphene line height positively and is consistent with overall experimental-simulation congruence. Furthermore, the incorporation of high-quality graphene resulted in a surface that exhibited higher contact angles (CA > 120°), lower energy consumption, and higher heating efficiency compared to the use of traditional electrically heated materials for anti-icing applications. The potential applications of this one-step fabrication method extend across various industries, particularly aviation, marine engineering, and other ice-prone domains. Moreover, the method has extensive prospects for addressing pivotal challenges associated with ice formation and serves an innovative and efficient anti-icing technology.