This study presents, for the first time, the development of fibers with favorable properties for biodegradable wound dressings made from the Ecovio® (EC) polymer blend, composed of poly(lactic acid) (PLA) and poly(butylene adipate-co-terephthalate) (PBAT), incorporated with tea tree essential oil (TTE). TTE presented antimicrobial activity against Pseudomonas aeruginosa and Staphylococcus aureus, achieving minimal inhibitory concentrations of 15 and 7.5 mg/mL, respectively. The TTE was mixed with EC in a binary chloroform and formic acid (85/15 v/v) mixture, leading to homogeneous and wettable fibers by electrospinning. The EC/TTE fibers were characterized confirming the TTE in the fibers. The tests showed that TTE (0.5, 1.0 or 1.5 mL) improved the polymer blend electrospinnability. TTE (1.5 mL or 75 w% concerning the EC) lead to homogeneous fibers with an average diameter of 278 nm. TTE (75 w%) increased the wettability of the EC fibers from 120±2° to 69±1°. Preliminary bacterial adhesion and proliferation assays demonstrated that the EC/TTE fibers have anti-adhesive activity e seems to be more toxic against P. aeruginosa compared to S. aureus after 24 hours of incubation. Compatibility tests with human blood indicated that the EC/TTE fibers accelerate blood coagulation. The EC/TTE fibers exhibit promising chemical and biological properties (in vitro) for the development of wound dressings.

This study evaluates the antimicrobial efficacy of chitosan nanoparticles (CNP), varying in size, against E. coli, S. aureus, E. faecalis, C. albicans, and clinical isolates of Mycobacterium tuberculosis (MTB), as well as the antimicrobial effects of aqueous extracts and lyophilized powders of Allium (garlic) species. CNP were synthesized through ionotropic gelation and characterized by Z potential, hydrodynamic diameter (Dynamic Light Scattering, DLS) and SEM. Aqueous garlic extracts were prepared via decoction. We assessed antimicrobial activity using disk diffusion and broth microdilution methods; besides a modified agar proportion method in blood agar was used for antimicrobial activity against MTB. CNP inhibited MTB growth at 300 μg for 116.6 nm particles and 400 μg for 364.4 nm particles. The highest antimicrobial activity was observed against E. faecalis with nanoparticles between 200 and 280 nm. Allium sativum extract produced inhibition for C. albicans at 100 μg. The results indicate that CNP possess significant antimicrobial properties against a range of pathogens, including MTB, at high concentrations. On the other hand, aqueous Allium sativum extracts exhibited antimicrobial activity, but given their instability in solution, the use of lyophilized Allium sativum powder is preferable.

Hydrogen is undoubtedly one of the most promising alternatives for generating energy with low environmental impact. However, most hydrogen produced today is derived from fossil fuels, which negatively impacts the environment. In this context, biomass conversion technologies emerge as a sustainable and environmentally friendly alternative to conventional fossil-based processes for hydrogen production. The main objective of this study is to underscore the potential of biomass-derived hydrogen, as one of the key sustainable energy solutions. This work reviews diverse biological and thermochemical pathways for biomass-derived hydrogen production, noting challenges in technology and feedstock diversity. Biomass offers local availability and economic benefits, potentially yielding negative emissions. Biological methods like bio-photolysis and fermentation promise low-energy, waste-recycling solutions despite operational constraints. Thermochemical processes, influenced by biomass type and energy content, favor economies of scale and conventional gasification for economic viability. Hydrothermal gasification shows promise for high-moisture feedstocks. Overall, while thermochemical processes suit centralized large-scale hydrogen production, biological pathways offer decentralized options, necessitating continued innovation for integration into future energy strategies.

A convenient and efficient strategy for the preparation of 2-sulfonylindoles has been achieved through iodophor/H2O2-mediated 2-sulfonylation of indoles with readily available sulfonyl hydrazides in aqueous phase. Iodophor is commercially available and serves as the green catalyst and aqueous phase. A series of 2-sulfonylated products from indoles and N-methylpyrrole were synthesized in moderate yields in only 10 min. Control experiments were also conducted to reveal the mechanism. This method is environment friendly, easy to operate and suitable for a wide range of substrates.

This work presents the results regarding the synthesis of tungsten nanoparticles (W NPs) by magnetron sputtering combined with gas aggregation (MSGA) when H2 mixed with Ar is used as working gas, the amount of H2 being increased up to 82%. The results show that up to 40% H2 in discharge the synthesis rate increases over 60 times, rapidly decreasing for over 50% H2 in discharge. The W dust is still produced in H2 dominated discharge (82%), the deposition rate being small but not negligible (20 mg/hour). The obtained WNPs are isolated, with the diameter decreasing from 50 nm to 15 nm when the amount of H2 in discharge is smaller than 41%. Over this value, the particles tend to agglomerate, forming structures similar to film-like deposits. Also, the diameter of the deposited spots on substrates is dependent on the H2 content in discharge. This allows the efficient coating of substrates with dimensions up to 26 mm by translating them in front of the MSGA cluster source exit aperture. Supplementary, for 41% H2 in discharge, the influence of synthetic air leaks (0-5%) in discharge was investigated. The deposition rate decreases rapidly (ceasing for around 4% air in discharge) and the obtained nanoparticles tend to agglomerate (at 2% air content, the dust deposit has the aspect of a near continuous film). Chemical composition investigations show a pronounced tendency of oxidation, nitridation and oxynitride formation in the presence of air leaks.

Glycerol conversion to valuable biomolecules has been a research avenue that has attracted a significant interest in recent years due to its increasing over production, with possibilities for chemical transformation for eco-friendly processes and distinct compounds with biological activities. Also, in the current climate change in which a major emphasis is being placed on the design of green processes, solvents are key factors from both an economic and environmental point of view. In this context, due to its abundance and low-price, glycerol represents an innovative solvent coming from biomass and produce in high amount. On the other hand, Epichlorydrin, Glycidol and Solketal have become useful intermediates in chemical transformations when using glycerol as a raw material. This review focuses on glycerol as a green solvent in the synthesis of complex molecules, Epichlorydrin, Glycidol, Solketal and Tosyl solketal as an efficient recycling process for glycerol, as well as building blocks in the synthesis of glycerol derivatives, which are undeniable new source of potentials drugs.

This study aims to develop low-cost, eco-friendly and circular economy-compliant composite materials by creating three types of magnetorheological suspensions (MRSs) utilizing lard, carbonyl iron (CI) microparticles, and varying quantities of gelatin particles (GP). These MRSs serve as dielectric materials in cylindrical cells used to fabricate electric capacitors. The equivalent electrical capacitance (C) of these capacitors is measured under different magnetic flux densities (B≤160 mT) superimposed on a medium-frequency electric field (f = 1 kHz) over a period of 120 seconds. The results indicate that at high values of B, by increasing the GP content to 20 vol.% decreases the capacitance C up to about one order of magnitude compared to MRS without GP. From the measured data, the average values of capacitance Cm are derived, enabling the calculation of relative dielectric permittivities (ϵr′) and the dynamic viscosities (η) of the MRSs. It is demonstrated that ϵr′ and η can be adjusted by modifying the MRS composition and fine-tuned through the magnetic flux density B. A theoretical model based on the theory of dipolar approximations is used to show that ϵr′, η and the magnetodielectric effect can be coarsely adjusted through the composition of MRSs and finely adjusted through the values B of the magnetic flux density. The ability to fine-tune these properties highlights the versatility of these materials, making them suitable for applications in various industries, including electronics, automotive and aerospace.

A low cost, scalable and robust process has been proposed as innovative method for coating solar mirrors with a self-cleaning, transparent in the full solar range and versatile material based on auxetic aluminium nitrides, previously obtained on the laboratory scale. This work presents the scaling-up of fabrication process from laboratory to prototypal scale and pre-liminary results of outdoor self-cleaning solar mirror prototypes testing in the demonstrative CSP plant ENEASHIP located in Casaccia (Rome) ENEA research centre. Prototypes 50x40cm have shown stability in external conditions: no degradation occurs during the test campaign. Their washing restores the initial reflectance affected by soiling and the self-cleaning performance allows the utilization of a reduced quantity of water for cleaning operations with respect to uncoated glass of back surface mirrors. A similar self-cleaning AlN coating could be utilized on other solar components affected by soiling, such as glass envelopes of heat collecting elements, PV panels and everywhere are required self-cleaning performance combined to optical ones.

A focussed library of pyridyl and 2-hydroxyphenyl chalcones were synthesized and tested for growth inhibitory activity against Mycobacterium tuberculosis H37Rv, and normal and cancer breast cell lines. Pyridyl chalcones bearing lipophilic A-ring, e.g., dichloro-phenyl- (14), pyrene-1-yl (20)- and biphenyl-4-yl (21) moieties, were found to be the most potent of the series inhibiting the growth of M. tuberculosis H37Rv with IC90 values ranging from 8.9 – 28 µM. Aryl chalcones containing a 3-methoxyphenyl A-ring and either p-Br-phenyl (25) or p-Cl- phenyl (26) B-rings showed an IC90 value of 28 μM. Aryl-chalcones were generally less toxic to HepG2 cells compared to pyridyl-chalcones. Dose-dependent antiproliferative activity against MDA468 cells was observed for trimethoxy-phenyl (16) and anthracene-9-yl (19) pyridyl-chalcones with IC50 values of 0.7 and 0.3 µM, respectively. Docking studies revealed that chalone 20 was predicted to bind to the M. tuberculosis protein tyrosine phosphatases B (PtpB) with higher affinity compared to a previously reported PtpB inhibitor.

As the understanding of natural gas hydrates as a vast potential resource deepens, their importance as a future clean energy source becomes increasingly evident. However, natural gas hydrates tend to secondary generation during extraction and transportation, leading to safety issues such as pipeline blockages. Consequently, developing new and efficient natural gas hydrate inhibitors has become a focal point in hydrate research. Kinetic Hydrate Inhibitors (KHIs) offer an effective solution by disrupting the nucleation and growth processes of hydrates without altering their thermodynamic equilibrium conditions. This paper systematically reviews the latest research progress and development trends of KHIs for natural gas hydrates, covering their development history, classification, and inhibition mechanisms. It particularly focuses on the chemical properties, inhibition effects, and mechanisms of polymer inhibitors such as polyvinylpyrrolidone (PVP) and polyvinylcaprolactam (PVCap). Studies indicate that these polymer inhibitors provide an economical and efficient solution due to their low dosage and environmental friendliness. Additionally, this paper explores the environmental impact and biodegradability of these inhibitors, offering guidance for future research, including the development, optimization, and environmental assessment of new inhibitors. Through a comprehensive analysis of existing research, this work aims to provide a theoretical foundation and technical reference for the commercial development of natural gas hydrates, promoting their safe and efficient use as a clean energy resource.

Today, legislative framework addresses the metal alloys’ corrosion issues, demanding the re-striction of use of the probable carcinogenic, mutagenic and toxic for reproduction at humans (CMG) metals, like nickel, cobalt and chromium, and demand to develop new biomaterials. Therefore, the aim of this research is to evaluate and compare ion release of standard dental alloys and their hypoallergenic equivalents. Six types of orthodontic alloy wires (nickel-titanium (NiTi), coated NiTi, stainless steel (SS), Ni-free SS, cobalt-chromium (CoCr), and titanium-molybdenum (TMA) were immersed into artificial saliva of pH 5.5 and 6.6. Release of metal ions was measured by inductively coupled plasma-mass-spectrometry (ICP-MS) after 3, 7, 14 and 28 days. Data analyses were done using analysis of variance, results with P

Oxidation of a mixture of nonlabelled (14N2H4) and 15N labeled (15N2H4) hydrazine in aqueous solutions produces 14N15N molecules, indicating the intermediate existence of N4H6 or N4H4 dimers with subsequent transfers of H atoms and splitting of lateral N-N bonds. To explain the key part of hydrazine oxidation reaction, the structures, thermodynamics, and electron characteristics of N4H4 molecules in aqueous solution are investigated at CCSD/cc-pVTZ level of theory. We have not found any spontaneous splitting of the bond between lateral nitrogen atoms in tetrazenes N4H4 during geometry optimization. The most probable N4H4 oxidation products are H2N-NH2 and N2, which are obtained by splitting the bond between central nitrogen atoms and so only 15N2 and 14N2 molecules are formed. Additionally, the formation of H3N-NH and N2 oxidation products is also preferred to structures without any N-N fissions. The formation of H2N=N and HN=NH reaction products is energetically less advantageous. Cyclo-N4H4 structures are stable, without any N-N fissions, but their very high Gibbs energies indicate their vanishing abundance in aqueous solution, so their involvement in hydrazine oxidation is highly improbable. Hydrazine oxidation to 14N15N molecules cannot be explained by tetrazene N4H4 intermediates.

The presented work offers a novel process scheme for valorizing historical Pb-Zn slag, which involves crushing, grinding, and then using separation techniques to concentrate valuable components (nonferrous metals). This methodology could have a significant impact on the global beneficiation of metallurgical slags since, in theory, it is significantly more simple, environmentally friendly, and cost-effective than standard pyrometallurgical or hydrometallurgical procedures. According to previous physicochemical and mineralogical studies, Pb-Zn slag from "Topilnica" Veles is a valuable secondary raw material. This inhomogeneous technogenic resource contains substantial amounts of nonferrous metals (Pb, Zn, Cu, and Ag). However, laboratory tests have indicated that the Pb-Zn slag contains a very uneven valuable metals amounts, ranging from several g/ton to several tens of g/ton. The main issue is that traditional metallurgical procedures for releasing beneficial elements are not commercially viable since the valuable elements are "trapped" within amorphous aluminosilicates or intergrowths of alloy grains and glassy phases. Gravity concentration (Wilfley 13 shaking table) and magnetic separation (Davis separator and disk separator) were used to obtain the final concentrate following comminution and grindability testing. The gravity concentration proved more effective. This streamlined approach of valorizing Pb-Zn slag can reduce the need for hazardous chemicals used in hydrometallurgical refinement operations, as well as the extremely high temperatures required for pyrometallurgical processing. This is the first investigation into the feasibility of this novel approach, which includes direct investigations of the Pb-Zn slag feed using these alternative technologies. After extracting the valuable metals, the amorphous aluminosilicate part of the Pb-Zn slag can be reapplied as an alternative raw material in the building sector, adding to the circularity of the suggested approach..

Oxytetracycline (OTC) serves as a widely employed antibiotic in veterinary treatment and prevention of infections, potentially leaving residues in animal-derived food products, such as milk, that are consumed by humans. Given the detrimental effects of prolonged human exposure, it becomes imperative to develop precise and sensitive methods for monitoring the presence of OTC in food. This work reports on the fabrication of a label-free electrochemical aptasensor for the determination of OTC as a proof-of-concept.

This study investigates the cytotoxicity profile of superparamagnetic Fe3O4-Ag decorated nanoparticles against human fibroblasts (HFF-1) and breast cancer cells (MCF-7). The nanoparticles underwent comprehensive characterization employing scanning electron microscopy (SEM), X-ray diffraction (XRD) analysis, X-ray photoelectron spectroscopy (XPS), and magnetic assays including hysteresis curves and zero-field-cooled (ZFC) plots. Notably, the nanoparticles exhibited superparamagnetic behavior as evidenced by magnetic studies. Remarkably, cytotoxicity assays demonstrated that both HFF-1 and MCF-7 cells maintained nearly 100% viability upon nanoparticle exposure. These results underscore the outstanding biocompatibility of Fe3O4/Ag decorated nanoparticles, suggesting their potential utility in biomedical applications such as drug delivery and magnetic targeting without inducing significant cytotoxic effects. This investigation advances our understanding of the behavior of nanostructured materials in biological settings and highlights their promising prospects in biomedicine.

Magnetic Fe3O4 nanoparticles (MNPs) functionalized with (3-aminopropylo)trietoksysilan (APTES) or N-carboxymethylchitosan (CMC) were proposed as nanocarriers of methotrexate (MTX) against ovarian cancer cell lines. The successful functionalization of the obtained nanostructures was confirmed by FT-IR spectroscopy. Nanoparticles were characterized by transmission electron spectroscopy (TEM) and dynamic light scattering (DLS) techniques. Their potential zeta, magnetization, and hyperthermic properties were also explored. MTX was conjugated with nanocarriers by ionic bonds or by amide bonds. For all three types of nanostructures, the drug release kinetics were examined at different pH and temperatures. The MTT assay showed no toxicity of MNPs[APTES] and MNPs[CMC]. Finally, the cytotoxicity of the nanostructures with MTX attached was measured towards the ovarian cancer cells model sensitivity and resistance to methotrexate in simplistic 2D and spheroid 3D conditions. The results of cytotoxicity tests of the tested nanostructures showed similar values for inhibiting the proliferation of ovarian cancer cells as methotrexate in its free form. Conjugating MTX with nanoparticles allows the drug to be directed to the target site using an external magnetic field, reducing overall toxicity. Combining this approach with hyperthermia could enhance the therapeutic effect in vivo compared to free MTX, though further research on advanced 3D models is needed.

Quinacridone (QA) and 2,9-dimethylquinacridone (DQA) are synthetic substances suitable as a hard, abrasion-resistant, self-organizing gliding layer on ice, snow, and water. For sustainable use, a large number of parameters must be considered to demonstrate that these non-biogenic substances and their by-products and degradation products are harmless to humans and the environment in the quantities released. For this task, available experimental data are used and supplemented for all tautomers by numerous relevant physical, chemical, toxicological and ecotoxicological estimated values based on various Quantitative Structure Activity Relationship (QSAR) methods. On the one hand, the low solubility of QA and DQA leads to stable gliding layers and thus low abrasion and uptake by plants, animals, and humans. On the other hand, the four hydrogen bond forming functional groups per molecule allow nanoparticle decomposition and enzymatic degradation in natural environments. All available data justify a sustainable use of QA and DQA as a gliding layer. The assessment of the toxicological properties is complemented with an investigation of the size and morphology of DQA particles as well as field tests indicating an excellent performance as a gliding layer on snow.

Due to their remarkable intrinsic physical properties, carbon nanotubes (CNTs) can enhance mechanical properties and confer electrical and thermal conductivity to polymers currently investigated for use in advanced applications based on thermal management. An epoxy resin filled with varying concentrations of CNTs (up to 3 wt.%) was produced and experimentally characterized. The electrical percolation curve identified two critical filler concentrations: 0.5 wt%, near the electrical percolation threshold, suitable for exploring mechanical and piezoresistive properties, and 3 wt% for investigating thermo-electric properties due to the Joule effect with applied voltages ranging from 70V to 200V. Numerical models were developed using multiphysics simulation software. Once validated with experimental data, these models were used to investigate additional physical properties of the composites. Furthermore, a statistical approach based on the design of experiments (DoE) was employed to examine the influence of certain thermal parameters on the final performance of the materials. The purpose of this research is to promote the use of contemporary statistical and computational techniques alongside experimental methods to enhance understanding of materials science. New materials can be identified through these integrated approaches, or existing ones can be more thoroughly examined.

Keywords: xylose reductase; cashew apple bagasse; bioprocesses; fluid dynamics; xylitol.

Solution-based inorganic-organic halide perovskites are of great interest to researchers because of their unique optoelectronic properties and easy processing. However, polycrystalline perovskite films often show inhomogeneity due to residual strain induced during the film’s post-processing phase. In turn, these strains can impact both their stability and performances. An exhaustive study of residual strains can provide a better understanding and control of how they affect the performance and stability of perovskite films. In this work, we explore this complex interrelationship between residual strains and electrical properties for methylammonium \chemform{CH_3NH_3PbI_{3-x}Cl_x} films using grazing incident X-ray diffraction (GIXRD). We correlate with their resistiviy and carrier mobility using Hall effect. The sin^2($\psi$) technique is used to optimize the annealing parameters for the perovskite films. We also establish that temperature-induced relaxation can yield significant enhancement of the charge carrier transports in perovskite films. Finally, we also use Raman micro-spectroscopy to assess the degradation of perovskite films as a function of their residual strains.

This report is on magneto-electric (ME) interactions in bulk composites with coaxial nanofibers of nickel zinc ferrite and PZT. Core-shell fibers of PZT and Ni1-x Znx Fe2 O4 (NZFO) with x = 0-0.5 were made by electrospinning. Both kind of fibers, either with ferrite- or PZT-core and with diameters in the range 1-3 m were made. Electron- and scanning probe microscopy images indicted well-formed fibers with uniform core and shell structures and defect free interface. X-ray diffraction data for fibers annealed at 700-900 C did not show any impurity phases. Magnetization, magnetostriction, ferromagnetic resonance, and polarization P versus electric field E measurements confirmed the ferroic nature of the fibers. For ME measurements the fibers were pressed into disks and rectangular platelets and then annealed at 900-1000 C for densification. Strengths of strain mediated ME coupling were measured by H-induced changes in remnant polarization Pr and by low-frequency ME voltage coefficient (MEVC). The fractional change in Pr under H increased in magnitude, from +3% for disks of NFO– PZT to -82% for NZFO (x=0.3)-PZT, and further increase in x resulted in a decrease to a value of -3% for x=0.5. Low-frequency MEVC measured in disks of the core-shell fibers ranged from 6 mV/cm Oe to 37 mV/cm Oe. The fractional changes in Pr and the MEVC values were an order of magnitude higher than for bulk samples containing mixed fibers with random distribution of NZFO and PZT. The bulk composites with coaxial fibers have the potential for use as magnetic field sensors and in energy harvesting applications.

This study explores the synthesis and application of BODIPY-functionalized gold nanoparticles (AuNPs) for the sensitive detection of biothiols via an indicator displacement assay coupled with Surface-Enhanced Raman Scattering (SERS) techniques, alongside their efficacy for in vitro cancer cell imaging. Moreover, the assay allowed a visible colorimetric detection of biothiols under normal and ultraviolet light conditions. The BODIPY (boron-dipyrromethene) fluorophores were strategically conjugated to the surface of gold nanoparticles, forming a robust nanohybrid that leverages the plasmonic properties of AuNPs for enhanced spectroscopic sensitivity. The detection mechanism exploits the displacement of the BODIPY indicator upon interaction with biothiols, triggering a measurable change in fluorescence and SERS signals. This dual-mode sensing approach provides high selectivity and sensitivity for biothiol detection, with detection limits reaching nanomolar concentrations using fluorescence and femtomolar concentration for cysteine using SERS. Furthermore, the BODIPY-AuNP complexes demonstrated excellent biocompatibility and photostability, facilitating their use in fluorescence imaging of biothiol distribution within cellular environments and highlighting their potential for diagnostic and therapeutic applications in biomedical research.

Shale formations present significant challenges to traditional drilling fluids due to fluid infiltration, cuttings dispersion, and shale swelling, which can destabilize the wellbore. While oil-based drilling fluids (OBM) effectively address these problems concerns about their environmental impact and cost limit their widespread use. Recently, nanomaterials (NPs) have emerged as a promising approach in drilling fluid technology, offering an innovative solution to improve the efficiency of water-based drilling fluids (WBDF) in shale operations. This study evaluates the potential of utilizing modified silica nanocomposite and graphene nanopowder to formulate a nanoparticle-enhanced water-based drilling fluid (NP-WBDF). The main objective is to investigate the impact of these nanoparticle additives on the flow characteristics, filtration efficiency, and inhibition properties of the NP-WBDF. In this research, a silica nanocomposite was successfully synthesized using emulsion polymerization and analyzed using FTIR, PSD, and TEM techniques. Results showed that the silica nanocomposite exhibited a unimodal particle size distribution ranging from 38 nm to 164 nm, with an average particle size of approximately 72 nm. Shale samples before and after interaction with Graphene nanopowder-WBDF and NFC-WBDF were analyzed using scanning electron microscopy (SEM). The NP-WBM underwent evaluation through API filtration tests (LTLP), high-temperature/high-pressure (HTHP) filtration tests, and rheological measurements conducted with a conventional viscometer. Experimental results showed that silica nanocomposite and graphene nanopowder effectively bridged and sealed shale pore throats, demonstrating superior inhibition performance compared to conventional WBDF. Post adsorption, the shale surface exhibited increased hydrophobicity, contributing to enhanced stability. Overall, silica nanocomposite and graphene nanopowder positively impacted rheological performance and provided favorable filtration control in water-based drilling fluids.

The article presents the results of research work devoted to the study of composite materials on polymer binder with the content of modified mineral filler - water-dispersion paint and varnish materials on acrylic polymer with modified filler - diatomite. The aim of the study is to obtain polymer-based composites with modified diatomite (water-dispersion paint on acrylic binder) with improved performance properties. Methods: determination of porosity, adhesion, elasticity, hiding power of the control composition; determination of porosity, adhesion, elasticity, hiding power of the obtained composites with the use of modified filler; investigation of the influence of radiation in the infrared radiation (IR) region of the spectrum of the paint coating surface using FLIRB620 thermal imager. As a result of work it is noticed that modification of water dispersions by silica activated diatomite promotes elimination of the main disadvantages of materials and coatings on the basis of acrylate binder - low water resistance and low physical and mechanical characteristics, introduction of modified diatomite into water emulsion paint on acrylate basis does not lead to deterioration of the main operational characteristics of paint and varnish coatings - porosity, adhesion, elasticity and covering. When analyzing the effect of emissivity in the IR region of the spectrum of the paint coating surface, a significant effect of the quantitative content of modified diatomite on the reduction of emissivity of paint coatings in the IR region of the spectrum was established and it was shown that a significant effect of the reduction of emissivity of paint coatings in the IR region of the spectrum is provided by the introduction of modified diatomite in the amount of 40 wt.h. into the mixture. The influence of the time of full-scale tests in the investigated small range regardless of the quantitative composition of modified diatomite on the performance characteristics of the paintwork was established.

Nanocellulose (CNC) seems to be a promising surfactant, which, together with expandable graphite (EG), forms the essence of an effective natural-based fire retardant wood coating. In our research, the most suitable composition of the mixture was tested concerning good solubility, dispersion, and consistency. Favorable results were achieved with the formulation composed of a 4% CNC alkaline solution with 80 wt.% of selected EG. Subsequently, six different EG were used to prepare these wood fire retardant coatings. The effectiveness of treatments was verified using a test with a radiant heat source, where the test samples' relative weight loss, relative burning rate, and surface temperature during 600 sec were evaluated. All prepared formulations can be characterized as more or less equally effective. However, the best results were obtained with EG of GG 200 – 100 N, where the mass loss of the sample was 8.10 ± 1.24%. Very good results were also achieved by graphite 25 E + 180 HPH (8.70 ± 0.89%), which is similar to the previous one, even according to the microscopic assessment of the coating as well as the expanded layer. Graphite type 25 K + 180 (8.86 ± 0.65 %) shows the expanded layer's best cohesion, coating uniformity, and ease of application. The results of this work confirmed that the CNC coating itself has significant retardation effects.

This study aims to investigate the interfacial tension, emulsion stability, and the impact on oil displacement effectiveness of mixed systems containing nonionic surfactants and amphoteric surfactants at different ratios. To achieve this, three different emulsion stability formulations were prepared by mixing betaine and nonionic surfactants in ratios of 1:1, 3:2, and 3:1 respectively. By adjusting the proportions of betaine and nonionic surfactants, variations in interfacial tension and emulsion formation among the three mixed systems were studied to analyze the mechanism of interaction between betaine and nonionic surfactants and evaluate their effects on crude oil displacement and enhanced oil recovery in reservoirs. Subsequently, microscopic and macroscopic oil displacement experiments were conducted on the three mixed systems, along with experiments on emulsion flow resistance. The aim was to verify the oil displacement effectiveness of different mixed systems and further understand their potential applications in reservoirs. By comprehensively analyzing the experimental results, optimal ratios and conditions for the mixed systems were determined. The experimental results indicate that the emulsification system formed by mixing betaine and nonionic surfactants at a ratio of 3:1 achieves molecular synergies through electrostatic interactions and mixed adsorption with betaine, resulting in a compact arrangement of interface membranes and demonstrating a synergistic effect in reducing interfacial tension to an ultra-low value of 10 -4 mN/m. Additionally, as the proportion of betaine surfactant increases, the viscosity of the aqueous phase liquid film increases, the rate of thinning of the liquid film slows down, the rate of water release slows down, and the stability of the emulsion increases. Microscopic oil displacement experiments verified that the three mixed systems increase oil washing efficiency through low interfacial tension and emulsification stripping action, thereby increasing the oil displacement mechanism's coefficient. Emulsion flow resistance experiments demonstrated that as the proportion of betaine surfactant increases, the system exhibits better plugging ability. However, macroscopic oil displacement experiments revealed differences in compatibility between different emulsion stability solutions and rocks with different permeabilities. The mixed system of betaine and nonionic surfactants at a ratio of 3:1 exhibits the best emulsification plugging ability in rocks with a permeability of 109mD, while the 1:1 mixed system performs best in rocks with a permeability of 12mD. This holds significant theoretical and practical significance for reservoir development and enhanced production.

In recent years there has been an increasing interest in developing novel materials based on natural biopolymers as a renewable alternative of petroleum-based plastics. The availability of proteins derived from agricultural by-products, along with their favourable properties, has fostered a renewed interest in protein-based materials, promoting research in innovative technologies. In this study we propose the use of rapeseed protein-rich meal as main ingredient for the preparation of novel sustainable materials combining excellent environmental properties such as biodegradability and renewable origin. Application as sustainable products in the present high-tech society needs modification of basic native properties of these natural compounds. The original route proposed in this paper consists in the preparation via compression moulding of flexible biomaterials stabilized by crosslinkers/chain extenders. Investigation of the effects of different denaturing and disulfide bond reducing agents, crosslinkers, and preparation conditions on the material mechanical behaviour demonstrated that the novel materials have appreciable strength and stiffness. The results show the potential of utilizing full meal from vegetable by-products to prepare protein-based materials with granted ecofriendly characteristics and mechanical properties adequate to specific structural applications.

Biodiesel has several drawbacks, such as being prone to oxidation, having reduced stability, and having limited storage time. Antioxidants compatible with biodiesel are being used to address its drawbacks. Utilizing antioxidants effectively improves the quality of biodiesel. Enhancing the quality of biodiesel for use as a clean energy source benefits both the global economy and ecology. Therefore, we believe that our work will contribute to the advancement of the worldwide industry. The study used blends consisting of 20% biodiesel and 80% diesel fuel. Isatin-thiosemicarbazones were tested as additives in blends at a concentration of 3000 parts per million (ppm) using an oxifast device. Comparing them to the chemical antioxidant Trolox. FT-IR, DSC, and TGA were used to characterize these samples. DSC measured sample crystallization temperatures (Tc). Samples with antioxidants showed decreased values compared to the non-antioxidant diesel sample D100. Several DSC tests were conducted to determine the antioxidant strengths of various samples. The results showed that the FT-IR spectrum's antioxidant effect regions grow clearer with antioxidants. The extra antioxidant is effective. Biodiesel's oxidative stability improves with isatin-thiosemicarbazones at varying concentrations. The kinetics of thermal decomposition of isatin-thiosemicarbazones under non-isothermal conditions have been determined using the Kissinger, Ozawa, and Boswell techniques. The activation energies of compounds 1 and 2 were calculated 137–147 kJ mol^-1 and 173–183 kJ mol^-1, respectively.

Solid polymer electrolytes and composite polymer electrolytes serve as crucial components in all-solid-state energy storage devices. Structural batteries and supercapacitors present a promising alternative for electric vehicles, integrating structural functionality with energy storage capability. However, despite their potential, these applications are hampered by various challenges, particularly in the realm of developing new solid polymer electrolytes that require more investigations. In this study, novel solid polymer electrolytes and composite polymer electrolytes were synthesized using epoxy resin blends, ionic liquid, lithium salt, and alumina nanoparticles, and subsequently characterized. Among the formulations tested, the optimal system, designated as L70P30ILE40Li1MAl2 and containing 40 wt.% of ionic liquid and 5.7 wt.% of lithium salt, exhibited exceptional mechanical properties. It displayed a remarkable storage modulus of 1.2 GPa and reached ionic conductivities of 0.085 mS/cm at 60°C. Furthermore, a proof-of-concept supercapacitor was fabricated, demonstrating the practical application of the developed electrolyte system.

High entropy alloys have excellent wear resistance, so they have great application prospects in the fields of wear resistance and surface protection. In this study, the wear resistance of FeNiCrCoCu high entropy alloy coating was systematically analyzed by molecular dynamics method. FeNiCrCoCu high entropy alloy was used as a coating material to adhere to the surface of Cu matrix. The friction and nano indentation simulation of this coating material were carried out by controlling the ambient temperature. The influence of temperature on its friction properties was analyzed from five aspects: lattice structure, dislocation evolution, friction coefficient, hardness and elastic modulus. The results show that with the increase of temperature, the disorder of the lattice structure increases, which leads to the increase of the tangential force and the friction coefficient in the friction process. At 300K and 600K, the ordered lattice structure of the high entropy alloy coating material is basically the same, and thus their hardness is basically the same. However, the dislocation density at 600K is significantly reduced compared with that at 300K, resulting in the increase of the elastic modulus of the material from 173GPa to 219GPa. At the temperatures of 900K and 1200k, lattice disorder take place rapidly, and dislocation density also decreases significantly, resulting in a significant decrease in the hardness and elastic modulus of the material. When the temperature reaches 900K, the wear resistance of the FeNiCrCoCu high entropy alloy coating decreases sharply. This work is of great value to the analysis of wear resistance of high entropy alloy at high temperature.

Potential permanent magnet (Fe0.7Co0.3)2B has large saturation magnetization and high Curie temperature but a moderate magnetocrystalline anisotropy (MCA) and displays relatively low coercivity. One way to improve coercivity is to combine the contribution from magnetocrystalline- and magnetic shape anisotropy by preparing (Fe0.7Co0.3)2B nanowires. We study the effect of size, morphology, and surface defect on the hard magnetic properties of nanowires using micromagnetic simulation. The hard magnetic properties of (Fe0.7Co0.3)2B nanowire bonded magnet have been estimated, including the role of inter-wire magnetostatic interaction. By considering the existence of local reduction of MCA energy up to 30% on the surface layer of nanowires, the anisotropic bonded magnet with 65% vol. of (Fe0.7Co0.3)2B nanowires displays typical magnetic properties of remanence Br=8.4 kG, coercivity Hci=9.9 kOe, and maximum energy product (BH)m=17.8 MGOe. Developing effective technology for synthesizing nanowires and fabricating corresponding bonded magnets is promising for manufacturing practical magnets based on magnetic phase with relatively low or moderate MCA, such as (Fe0.7Co0.3)2B.

This study aimed to compare the flexural strength, surface roughness, and microhardness of a resin for three-dimensional (3D) printing and a conventional composite resin and to evaluate whether the printing orientation influences these properties. To evaluate the flexural resistance, test specimens were produced and divided into four groups: three groups of resins for 3D printing with inclinations of 0°, 45°, and 90°, and one group of conventional composite resin. Forty discs were produced and subjected to a sandpaper-polishing sequence, and the surface roughness was measured using a roughness meter. The Vickers microhardness test was performed at three different points, and the average was obtained. The results were subjected to ANOVA statistical analysis and Tukey's test. There were statistical differences in the flexural strength and microhardness between the conventional resin and the resin used for 3D printing. No statistical difference in surface roughness was observed. The resin for 3D printing exhibited lower flexural strength and microhardness than conventional composite resins. We concluded that the resin for 3D printing had lower flexural strength and hardness than the conventional composite resin but similar surface roughness. The printing orientation did not affect the flexural strength, whereas the hardness increased as the printing angle increased.

The present review is a comprehensive update of the synthesis of monocyclic β-lactams via cycloaddition reactions. According to the IUPAC definition of cycloaddition, both elementary and stepwise processes (formal cycloadditions) have been considered. The years 2019-2022 are covered by the cited literature. The focus of the review is on synthetic aspects with emphasis on the structural scope, reaction conditions, mechanistic aspects, and selectivity results. Selected significant data related to biological activities and synthetic applications are also highlighted.

The safety concerns associated with current lithium-ion batteries are a significant drawback. A short-circuit within the battery's internal components, such as those caused by a car accident, can lead to ignition or even explosion. To address this issue, a polymer shear thickening electrolyte, free from flammable solvents, has been developed. It comprises a star-shaped oligomer derived from a trimethylolpropane (TMP) core and polyether chains, along with the inclusion of 20 wt.% nanosilica. Notably, the star-shaped oligomer serves a dual function as both the solvent for the lithium salt and the continuous phase of the shear thickening fluid. The obtained electrolytes exhibit an ionic conductivity of 10-6 S cm-1 at 20 °C and 10-4 S cm-1 at 80 °C, with a high Li+ transference number (t+ = 0.79). A nearly thirtyfold increase in viscosity to a value of 1187 Pa s at 25 °C and a critical shear rate of 2 s-1 were achieved. During impact, this electrolyte could enhance cell safety by preventing electrode short-circuiting.

This study aimed to enhance the compatibility of glass ionomer cement (GIC) with tooth tissue by chemically modifying its primary component, calciumfluoroaluminosilicate (CFAS), through the incorporation of nanorod hydroxyapatite (nHA). The process involved binding L-glutamic acid to nHA, followed by activation and binding of albumin to create nHA immobilized with albumin. This modified nHA was then used to surface-modify CFAS particles, producing nHA-CFAS powder. The modified powder was mixed with poly(acrylic acid) and UV-cured to form GIC containing nHA-CFAS (GIC-nHA). Fourier transform infrared spectroscopy and scanning electron microscopy (SEM) confirmed the successful modification. Cytocompatibility tests with osteoblasts showed that GIC-nHA had superior cell viability and bone formation capabilities compared to the control GIC. The improved histocompatibility is attributed to nHA enhancing the biological activity of osteoblasts, indicating that the surface modification method significantly improves the functional integration of GIC with tooth tissue.

The unique structure of G4.0 PAMAM dendrimers allows the drug to be enclosed in internal spaces or immobilized on the surface. In the conducted research, the conditions for the formation of the active G4.0 PAMAM complex with doxorubicin (DOX) were optimized. The physicochemical properties of the system were monitored using DLS, CD, and fluorescence spectroscopy. The QCM-D method was chosen to determine the preferential conditions for the complex formation. The highest binding efficiency of the drug to the cationic dendrimer was observed under basic conditions when the DOX molecule was deprotonated. The decrease in the zeta potential of the complex confirms that DOX immobilizes through electrostatic interaction with the carrier's surface amine groups. The binding constants were determined from the fluorescence quenching of the DOX molecule in the presence of G4.0 PAMAM. The two-fold way of binding doxorubicin in the structure of dendrimers was visible in the ITC isotherm. Fluorescence spectra and release curves identified reversible binding of DOX to the nanocarrier. Among the selected cancer cells, the most promising anticancer activity of G4.0-DOX was observed in A375 malignant melanoma cells. Moreover, the preferred intracellular location of the complexes concerning the free drug was found, which is important from a therapeutic point of view.

The presence and localization of plant metabolites are indicative of physiological processes, e.g., under biotic and abiotic stress conditions. Further, the chemical composition of plant parts is related to their quality as food or for medicinal applications. Mass spectrometry imaging (MSI) has become a popular analytical technique for exploring and visualizing the spatial distribution of plant molecules within a tissue. This review provides a summary of mass spectrometry methods used for mapping and identifying metabolites in plant tissues. We present the benefits and the disadvantages of both vacuum and ambient ionization methods, considering direct and indirect approaches. Finally, we discuss the current limitations in annotating and identifying molecules and perspectives for future investigations.

This investigation explores the potential of enhancing aqueous zinc-ion batteries (AZIBs) through the introduction of a novel cathode material, NH4V4O10 (NVO), combined with reduced graphene oxide (rGO). Utilizing Density Functional Theory (DFT), it was hypothesized that the incorpora-tion of rGO would increase the interlayer spacing of NVO and diminish the charge transfer in-teractions, thus promoting enhanced diffusion of Zn2+ ions. These theoretical predictions were substantiated by experimental data acquired from hydrothermal synthesis, which indicated a marked increase in interlayer spacing. Significantly, the NVO-rGO composite exhibits remarkable cyclic durability, maintaining 95% of its initial specific capacity of 507 mAh g−1 after 600 cycles at a current density of 5 A g−1. The electrochemical performance of NVO-rGO not only surpasses that of pristine NVO but also outperforms the majority of existing vanadium oxide cathode materials reported in the literature. This study underscores the effective integration of theoretical insights and experimental validation, contributing to the advancement of high-performance energy storage technologies.

The increasing micro and nanoplastic pollution is of immense concern. Recent studies show that biofilm substances in contact with nanoplastics play an important role in aggregation and sedimentation of nanoplastics. Consequences of these processes are changes in biofilm formation and stability and changes in transport and fate of pollutants in the environment. Having a deeper understanding of the nanoplastics-biofilm interaction would help to evaluate the risks posed by uncontrolled nanoplastic pollution. These interactions are impacted by environmental changes due to climate change, such as e.g. acidification of surface waters. We apply fluorescence correlation spectroscopy (FCS) to investigate the pH-dependent aggregation tendency of non-functionalized polystyrene (PS) nanoparticles (NPs) due to intermolecular forces with model extracellular biofilm substances. Our biofilm model consists of bovine serum albumin (BSA), which serves as a representative for globular proteins, and the polysaccharide alginate, which is a main component in many biofilms, in solutions containing Na+ with ionic strength being realistic for fresh water conditions. Biomolecule concentrations ranging from 0.5 g/l up to at maximum 21 g/l are considered. We use non-functionalized polystyrene NPs as representative for mostly negatively charged nanoplastics. BSA promotes NP aggregation through adsorption onto the NPs and BSA mediated bridging. In BSA-alginate mixtures the alginate hampers this interaction, most likely due to alginate-BSA complex formation. Thus, the NP are more stable in the BSA-alginate mixtures compared to solutions containing solely BSA. In most BSA-alginate mixtures and alginate alone, other weaker attractive forces, mainly depletion forces, seem to cause NP aggregation. These forces are not electrostatic in nature and thus are less influenced by the pH-value. At high BSA contents the electrostatic BSA-BSA attraction is not sufficiently screened leading to a destabilization of the NP. This study clearly shows that it is crucial to consider correlative effects between multiple biofilm components to better understand the NP aggregation in the presence of complex biofilm substances. Single component biofilm model systems based on comparing the total organic carbon content of the extracellular biofilm substances, as usually considered, would have led to an misjudgment of the stability towards aggregation. Nevertheless, if the protein content is not too high, a simple model that only depends on polysaccharide concentration could be feasible to predict aggregation under environmental relevant conditions.

The aim of this study was to synthesize and optimize polylactide-co-glycolide (PLGA) nanoparticles loaded with rifampicin (RIF), with a given size and high loading rate, using the central composite design (CCD) method. CCD was used to investigate the influence of independent factors such as PLGA:RIF ratio, type of PLGA, type and concentration of surfactants, power and duration of homogenization, and type of organic solvent and its ratio to the aqueous phase on the dependent physicochemical characteristics of the nanoparticles. The optimized nanoparticles were investigated using scanning electron microscope (SEM), Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). Comparative evaluation of the drug release kinetics was carried out using different pH and different setups: flow cuvette (USP 4 apparatus) and Franz diffusion cuvette. In addition, the mucoadhesive properties and mycobacterial activity of PLGA-RIF NPs were studied.

TiO2-supported Pd-NPs based materials were prepared following two distinct approaches: for the first set of materials 1-8, modification of the TiO2 support was performed prior to Pd NPs deposition while the 2nd set (9-15) was synthesized by deposition of modifiers over pre-synthesized Pd-PPh3/TiO2. These catalysts were applied in the hydrogenation of CO2 to formate and their performance compared with that of the unmodified Pd-PPh3/TiO2. Modification of the TiO2 support by organosilanes provided a beneficial effect in catalysis compared with the catalyst containing unmodified TiO2 or TiO2 modified by organophosphonic acids. In contrast, in most cases, the deposition of modifiers over previously synthesized Pd NPs supported on TiO2 was not beneficial to the activity of the catalyst. Interestingly, upon recycling, the first set of catalysts suffered a rapid decrease in activity while the anchoring of modifiers over previously formed Pd NPs showed an improved stability (TON > 500 after the 3rd recycling).

Nitrogen oxides (NOx), pivotal atmospheric pollutants, significantly imperil the environment and human health. The CH4-SCR process, leveraging the abundant and accessible methane (CH4), emerges as a promising avenue for NOx abatement. Previous studies have demonstrated that zeolite support with twelve-membered ring (12-MR) and five-membered ring (5-MR) structures are susceptible to framework collapse in the presence of water, leading to catalyst deactivation. Consequently, there is a necessity to explore novel zeolites with enhanced hydrothermal stability for application in CH4-SCR processes. This research introduced for the first time an investigation into a novel In-H-SSZ-39 catalyst, synthesized via ion exchange and meticulously optimized for preparation conditions, including calcination temperature, In ions concentraiton, and reaction conditions, including CH4/NO ratio, O2 concentration, water vapor content, and Gas hourly space velocity (GHSV). Notably, the In/H-SSZ-39 catalyst achieved superior performance of 42.1% at 605 °C, with a calcination temperature of 500 °C and an In ion concentration of 0.066 M, under CH4/NO ratio of 1.5:1, 10% O2, and GHSV of 21000 h-1. In addition, the catalytic performance was influenced by the concentration of water vapor and the GHSV value.

With the aim to produce new heterocycle molecules, the previously reported 2-(aminomethyl)-2-(4-chlorophenyl)-2,3-dihydroquinazolin-4(1H)-one was converted efficiently by reacting with N,N’-dithiocarbonyldiimidazole (DTCI), to produce the substituted imidazolidine-2-thione moiety inserted in a three fused ring scaffold of the title compound. The molecular composition was confirmed by a high-resolution MS experiment, and its structure was elucidated by 1H, 13CNMR, and IR analyses. The thioacetamide form of the product was supported by density functional theory (DFT)-NMR analysis where 13C chemical shifts of thioacetamide form and of its iminothiol tautomer were calculated in chloroform at the BP86 /Jgauss-TZP2 level of theory. The very good linear correlation between 13C chemical shifts by experiment and by calculation for the NHC=S form confirmed the structure.

The rational design of magnetic carbon composites, encompassing both composition and microstructure, holds significant potential for achieving exceptional electromagnetic wave absorbing materials (EAMs). In this study, FeCo@CM composites was efficiently fabricated through an advanced microwave plasma assisted reduction chemical vapor deposition (MPARCVD) technique, offering high efficiency, low cost, and energy-saving benefits. By depositing graphitized carbon microspheres, the dielectric properties were significantly enhanced, resulting in improved electromagnetic wave absorption performances through optimized impedance matching and a synergistic effect with magnetic loss. A systematic investigation revealed that the laminar-stacked structure of FeCo exhibited superior properties compared to its spherical counterpart, supplying a higher number of exposed edges and enhanced catalytic activity, which facilitated the deposition of uniform and low-defect graphitized carbon microspheres. Consequently, the dielectric loss performance of the FeCo@CM composites was dramatically improved due to increased electrical conductivity and the formation of abundant heterogeneous interfaces. At a 40 wt% filling amount and a frequency of 7.84 GHz, the FeCo@CM composites achieved a minimum reflection loss value of -58.2 dB with an effective absorption bandwidth (fE) of 5.13 GHz. This study presents an effective strategy for developing high-performance EAMs.

A change in the wettability of liquid sodium due to sodium implantation was evaluated theoretically. Interface models between sodium and a sodium-implanted substrate metal were created, and their electronic states were calculated. The discrete variational Xα cluster method was used in the calculations. The calculations show that the bond order, indicating the strength of the covalent bonds between atoms, decreases within the substrate metal and increases at the interface between sodium and the substrate metal due to sodium implantation. Their ratio, the bond order ratio, increased with the increasing sodium implantation. Previous studies have shown that wettability is better as the bond order ratio increases. Therefore, from the calculations results, wettability improves with increasing sodium implantation. The wettability of sodium-implanted metals was experimentally evaluated using the contact angle of the sodium droplets. The contact angle decreased, and the wettability improved due to sodium implantation. The change rate in the contact angle increased with the bond order ratio. The experimental and calculation results correlate well, without contradiction. In conclusion, sodium implantation changes the electronic state of the interface, affecting the wettability of liquid sodium.

Visible-light photocatalysis, particularly in its application to organic synthesis, has experienced a big renaissance in the past decade. The rational design of new photocatalysts with designed and improved photocatalytic properties, that at the same time circumvents the necessity of using scarce and toxic transition metals, will predictably play a key role in photocatalysis in the next few years. Although free-base porphyrins were identified some years ago as a promising, easily accessible and easily tunable class of organic photoredox catalysts, a systematic study on the effect of the electronic nature and of the position of the substituents on both the ground-state and the excited-state redox potentials of these compounds is still lacking. We have prepared a set of known functionalized derivatives of meso-tetraphenyl porphyrin containing different substituents either in one of the meso-positions or at a beta-pyrrole carbon and we have determined their ground- and (singlet) excited-state redox potentials. This survey has led us to conclude that the introduction of a carbonyl group at the beta-pyrrolic position strongly increases the facility of the monoelectronic reduction of the porphyrin both in the ground state and in the singlet excited state. We have also prepared a second set of four previously unknown benzoyl derivatives of meso-tetraphenylporphyrin, and we have confirmed the validity of our conclusions.

Artificial intelligence methods, especially artificial neural networks (ANNs), have increasingly been utilized for the mathematical description of physical phenomena in (metallic) material processing. Traditional methods often fall short in explaining the complex, real-world data ob-served in production. While ANN models, typically functioning as "black boxes," improve pro-duction efficiency, a deeper understanding of the phenomena, akin to that provided by explicit mathematical formulas, could enhance this efficiency further. This article proposes a general framework that leverages (CAE) ANNs to explain predicted results alongside their graphical presentation, marking a significant improvement over previous approaches and those relied on expert assessments. Unlike existing Explainable AI (XAI) methods, the proposed framework mimics the standard scientific methodology, utilizing minimal parameters for the mathematical representation of physical phenomena and their derivatives. Additionally, it analyzes the relia-bility and accuracy of the predictions using well-known statistical metrics, transitioning from deterministic to probabilistic descriptions for better handling of real-world phenomena. The proposed approach addresses both aleatory and epistemic uncertainties inherent in the data. The concept is demonstrated through the hot extrusion of aluminum alloy 6082, where CAE ANN models and predicts key parameters, and ChatGPT explains the results, enabling researchers and/or engineers to better understand the phenomena and outcomes obtained by ANNs.

The convective hot air drying technology can cause physicochemical, nutritional, and organoleptic losses in mango (Mangifera indica). Therefore, mango dehydration technologies were compared through a Systematic Literature Review to identify the effects on mango’s physicochemical, nutritional, and organoleptic properties. The bibliographic and theoretical results were analyzed. Of the 76 resulting articles, it was found that the countries with authors who participated most in the scientific production were those related to mango production or importation. Furthermore, the freeze-drying technology allows operating at lower temperatures than convective hot air drying, contributing to the preservation of ascorbic acid, among other compounds. The refractance window has the shortest operation time to obtain moisture values between 10 and 20%. The dehydrated samples using the refractance window are smooth, homogeneous, non-porous, and comparable to the color obtained with freeze-drying, which is acceptable for industrial applications.

Molecular-scale density fluctuations at equilibrium produce cavities in a liquid and can be analyzed to shed light on the statistics of the number of molecules occupying observation volumes of increasing radius. An information theory approach led to the conclusion that these probabilities should follow a Gaussian distribution function. This prediction has been confirmed by computer simulations in different liquid models if the size of the observation volume is not large. The reversible work of cavity creation is exactly linked to the probability of finding zero molecules in a given observation volume. The Gaussian formula for the latter probability is scrutinized to arrive at the enthalpy and entropy changes associated with cavity creation. The reversible work of cavity creation has a purely entropic origin due to the solvent-excluded volume effect produced by the inaccessibility of a given region of the configurational space. The consequent structural reorganization of liquid molecules leads to exactly compensating enthalpy and entropy changes. These results are in line with those obtained in a direct statistical mechanical study by Lee.

The Diaphorina citri Kuwayama (D. citri) is one of the major pests in the citrus industry, which spreads Citrus Huanglongbing disease. It has developed resistance to chemical insecticides. Therefore, searching for greener solutions for pest management is critically important. The main aim of this study was to evaluate the repellent and insecticidal efficacy of essential oils (EOs) from four species of Myrtaceae plants: Psidium guajava (PG), Eucalyptus robusta (ER), Eucalyptus tereticornis (ET), and Baeckea frutescens (BF) against D. citri and to analyze their chemical composition. GC-MS analysis was performed, and the results indicated that the EOs of PG, ER, ET, and BF were rich in terpenoids, ketones, esters, and alcohol compounds. The repellent rate of all four EOs showed that it decreased with exposure time but increased with concentrations of EOs. Repellent rates ranged from 80.50% to 100.00% after treating D. citri for 6 hours with four EOs at 100% concentration and decreased to 67.71% to 85.49% after 24 hours of exposure. Among the compounds from the EOs tested, eucalyptol had the strongest repellent activity, with a 24-hour repellency rate of 100%. The contact toxicity bioassay results showed that all EOs have insecticidal toxicity to D. citri; the LC50 for nymphs was 36.47-93.15 mL/L, and for adults, it was 60.72-111.00 mL/L. These results show that when PG is used as the reference material, both ER, ET, and BF EOs have strong biological activity against D. citri, which provides a scientific basis for the further development of plant-derived agrochemicals.

Organic electrophoretic coatings have gained significant attention due to their ability to provide a uniform and controlled coating thickness, high coating adhesion, and excellent corrosion protection properties. In this work, to investigate the aging behaviors of an organic electrophoretic coating for magnesium alloys, water absorption kinetics curves of the coatings after immersion in 3.5 wt.% NaCl at 20℃ and 40℃ were measured, and parameters such as the saturated water absorption and saturation time of the free film coatings were fitted to determine the densification evolution of the organic coatings. A tensile test was used to test the tensile strength of the organic coating during service to determine the evolution of the strength and toughness of the organic coating. The evolution of wet adhesion of organic coatings with service time was tested by ASTM D4541-02. The impedance spectra of the organic coatings under the above conditions were detected by EIS, and finally, the failure behavior of the organic coatings under immersion was analyzed.

Green and sustainable electrocatalytic conversion of nitrogen-containing compounds to ammonia are currently in high demand in order to replace the eco-unfriendly Haber-Bosch process. Model catalysts for the nitrate reduction reaction were obtained by electrodeposition of metal Co, Fe and bimetallic Fe/Co nanoparticles from aqueous solutions onto a graphite substrate. The samples were characterized by the following methods: SEM, XRD, XPS, UV-vis spectroscopy, cyclic (and linear) voltammetry, chronoamperometry and electrochemical impedance spectroscopy. Besides, the determination of electrochemically active surface was also performed for all electrocatalysts. The best electrocatalyst was a sample containing Fe-nanoparticles on the layer of Co-nanoparticles, which showed the Faradaic efficiency 58.2% (E=-0.785 V vs. RHE) at the ammonia yield rate of 14.6 μmol h-1 cm-2. An opinion was expressed on elucidation of the mechanism of coordinated electrocatalytic action of a bimetallic electrocatalyst. This work can serve primarily as a starting point for future investigations on electrocatalytic conversion reactions to ammonia using model catalysts of the proposed type.

The stability issues in the widely known organic inorganic halide perovskite, CH₃NH₃PbI_3, lead to the development of alternative halide double perovskite materials which get great attention in recent times. Although the stability issue seems promising, both materials and device performance of these photovoltaic materials remain inferior and challenging for improvements. Furthermore, the power conversion efficiency of single junction organic inorganic halide perovskite is now 24.2% and 29.15% for textured monolithic perovskite/silicon tandem solar cell, but for all-inorganic halide perovskite solar cell is 7.11% and halide double perovskite solar cells based on Cs₂AgBiBr₆ and Cs₂TiBr₆ is 2.8% and 3.3%, respectively, which is far less than 24.2% and 29.15%, respectively. This creates big question and concern that can both all-inorganic halide perovskite solar cell and halide double perovskites solar cells really be an acceptable alternatives to replace organic inorganic halide perovskite solar cells or lead based perovskite solar cells in the market in order to realize the sustainable practical applications? Not only this concern, but also there are many other big challenges facing by halide double perovskite solar cells. Such big challenges include: a) geometric constraints and limited integration with interfacial materials, b) dynamic disorder and a wide band gap and localized conduction band caused by cubic unit cell which restrains the interactions of orbitals, c) high processing temperature which may limit on the diverse applications, d) low electronic dimensionality making them less appropriate for single junction solar cell purpose and etc. Moreover, origin of electronic and optical properties such as the polarizability, the presence of molecular dipoles and their influence on the dynamics of the photo-excitations in the halide double perovskites remains unlock concern that need to be elucidated. Now, another big question is how to develop overcoming mechanisms for such challenges. Can we really overcome these current limitations faced by halide double perovskites so that we use them for sustainable commercialization? This research roadmap for performance improvement is suggested focusing on: materials surface and bulk engineering, band gap engineering, interfacial engineering, composition engineering, doping engineering, device architectural engineering, polar and domain order engineering. This was the reason that this review was developed in order to forward great contributions to the readers and commercial ventures.

ERI and SSZ-13 were subjected to post-synthetic treatments (depending on the zeolite topology) to create micro-/mesoporous materials. The results of NH3-SCR-DeNOx show that the applied treatments improved the catalytic activity of the Cu-containing ERI-based materials; however, the NO conversion does not vary for the different materials treated with NaOH or NaOH/HNO3. For the micro-/mesoporous Cu-containing SSZ-13, a lower NO conversion in NH3-SCR-DeNOx is observed. Thus, our findings challenge the current paradigm of enhanced activity of micro-/mesoporous catalysts in NH3-SCR-DeNOx. The modification of the supports results in the presence of different amounts and kinds of copper species (especially isolated Cu2+ and aggregated Cu species) in the case of ERI- and SSZ-13-based samples. The present copper species further differentiate the formation of reactive reaction intermediates. Our studies approved that besides the -2,2-peroxo dicopper(II) complexes (verified by in situ DR UV-Vis spectroscopy), also copper nitrates (evidenced by in situ FT-IR spectroscopy) act as reactive intermediates in these catalytic systems.

Amyloid self-assembled from amyloid peptides βΑ40 or βΑ42 is notorious for its neurotoxic effects in plaque and neurofibrillary tangle formations leading to neuron dysfunction and diseases of cognitive decline (e.g. Alzheimer’s, Parkinson’s and Huntington's disease). This contrasts with so-called functional amyloids which are non-toxic ordered template structures amenable to applications in tissue engineering. Amyloid fibrils of variable morphology including long and hollow fibres and flattened tube and spiral ribbon-like structures have been used in engineering applications in nano-biology. Protein assemblies based on amyloid core structures display diverse biological functionalities could be applied in futuristic self-assembling biomaterials in nano-electronics. These possibilities have revolutionized the development of next generation computers and biosensors, ultracapacitors, memristors, actuators, molecular switches and could also be used to develop artificial synapses. Amyloid fibril assemblies have also been used in photoelectric and photon capture light harvesting technologies and been applied in innovative nano-photoelectronics and photovoltaics. Hybrid Aβ(16–22)-α-synuclein amyloid fibrils also exhibit light-harvesting and electron-transfer properties. Engineered amyloid assemblies are thus facilitating innovative futuristic advances in nano-technology. Furthermore, with a better understanding of amyloid fibril assembly processes it may be possible to develop therapeutic methods that prevent the toxic build up of this polymer in brain tissues that leads to diseases of cognitive decline. With the ever-expanding prevalence of these diseases in the ageing general global population, there certainly is a clear and present need to find a remedy for these debilitating conditions.

The physical properties of nano-fertilizers (NFs) are important in determining their performance, efficacy, and environmental interactions. Nano-fertilizers, due to their small size and high surface area-to-volume ratio, enhance plant metabolic reactions, resulting in higher crop yields. The properties of nano-fertilizers depend on the synthesis methods used. The nanoparticle's nutrient use efficiency (NUE) varies among plant species. This review aims to analyze the relationship between the physical properties of NF and their influence on crop performance and nutrient uptake efficiency. The review focuses on the physical properties of NFs, specifically their size, shape, crystalline, and agglomeration. This review found that smaller particle-sized nanoparticles exhibit higher nutrient use efficiency than larger particles. Nano-fertilizer-coated additives gradually release nutrients, reducing the need for frequent application and addressing limitations associated with chemical fertilizer utilization. The shapes of nano-fertilizers have varying effects on the overall performance of plants. The crystalline structure of nanoparticles promotes a slow release of nutrients. Amorphous nano-fertilizers improve the NUE and, ultimately, crop yield. Agglomeration results in nanoparticles losing their nanoscale size, accumulating on the outer surface, and becoming unavailable to plants. Understanding the physical properties of nano-fertilizers is crucial for optimizing their performance in agricultural applications.

Double-walled carbon nanotube-yttria-stabilized ZrO2 nanocomposites are prepared by a mixing route followed by Spark Plasma Sintering. Incorporation of carbon at contents higher than 2 wt.% results in significantly lower friction coefficients, both against alumina and steel balls. Double-walled carbon nanotubes improve wear resistance and reduce friction without severe damage, contrary to multi-walled carbon nanotubes.

It's been a growing concern that many microbes are developing resistance against many antibiotics, lowering the effectiveness and progress expected from that treatment option. To overcome the re-sistance developed by microbes, metallic and non-metallic-based nanoparticle treatments are starting to present a very promising approach. Furthermore, polyurethanes are used in a wide range of biomedical applications due to their variety of physical-chemical, mechanical, and structural properties, and biotic and abiotic degradation. They are widely used in bio-imaging procedures when metallic-based filler particles are incorporated, making the final product radiopaque. It would be advantageous, however, if polyurethanes with intrinsic radiopacity could be produced in their synthesis, avoiding a series of disadvantages in the processing and final product and also presenting potential antimicrobial activities. This review’s objective was to study the radiopacifying charac-teristics of nanoparticles as well as the physical principles of radiopacity and the variety of medical applications of polyurethanes with nanoparticles. It was found in this study that the synthetization of radiopaque polyurethanes is not only possible but also that the efficiency of synthetization was improved when using atoms with high electron density as part of the back chainbone or grafted, making them great multipurpose materials.

The use of alternative fuels and electric vehicles is an opportunity to reducing exhaust emissions. We observe that the regulations on exhaust emissions from mobile sources are becoming gradually stricter on the all the world. As is widely known, using alternative fuels instead of conventional fuels helps lower vehicle emissions. The most popular alternative fuels are hydrogen, propane, biobutanol, methanol, dimethyl ether, etc. It is very important that more than a dozen alternative fuels are under development. The article contains a comparison of the operating costs of electric cars and cars with an internal combustion engine. This work shows also the characteristic of new alternative fuels and their impacts on exhaust emissions.

This paper presents the fabrication and characterization of cylindrical capacitors utilizing magnetodielectric materials composed of magnetizable microfibers dispersed within a silicone oil matrix. The microfibers, ranging in diameter from 0.25 to 2.20 μm, comprise hematite (α-Fe2O3), maghemite (γ-Fe2O3), and magnetite (Fe3O4). The study investigates the electrical behavior of these capacitors under the influence of an external magnetic field superimposed on a medium-frequency alternating electric field, across four distinct volume concentrations of microfibers. Electrical capacitance and resistance measurements are conducted every second over a 60-second interval, revealing significant dependencies on both the quantity of magnetizable phase and the applied magnetic flux density. Furthermore, the temporal stability of the capacitors’ characteristics is demonstrated. The obtained data are analyzed to determine the electrical conductance and susceptance of the capacitors, elucidating their sensitivity to variations in microfiber concentration and magnetic field strength. To provide theoretical insight into the observed phenomena, a model based on dipolar approximations is proposed. This model effectively explains the underlying physical mechanisms governing the electrical properties of the capacitors. These findings offer valuable insights into the design and optimization of magnetodielectric-based capacitors for diverse applications in microelectronics and sensor technologies.

Today, polymeric Drug Delivery Systems (DDS) appear as an interesting solution against bacterial resistance, having great advantages such as low toxicity, biocompatibility, and biodegradability. In this work, two polyketones (PK) have been post-functionalized with taurinate (PKT) or sulfanilate (PKSK) and employed as biocompatible carriers for Vancomycin against bacterial infections. Mod-ified PKs were easily prepared by Paal-Knorr reaction and loaded with Vancomycin at variable pH. All polymers were characterized by FT-IR, DSC, TGA, SEM and elemental analysis. Antimicrobial activity was tested against Gram positive Staphylococcus aureus ATCC 25923 and correlated to the different pH used for its loading (between 2.3 and 8.8). Distinctively, minimum inhibitory con-centrations achieved with PKT and PKSK loaded with Vancomycin are similar, 0.23μg/mL and 0.24μg/mL respectively, i.e. six times lower that Vancomycin alone. The use of post-functionalized aliphatic polyketones has thus been demonstrated to be a promising way to obtain very efficient polymeric DDS.

In human body, carboxylesterases (CEs) play the crucial roles in xenobiotic metabolism and lipid homeostasis. But the abnormal CEs expression is highly associated with some diseases, such as hyperlipidemia, diabetes and liver cancer. Therefore, it is of great significance to develop an efficient tool for the accurate detection of CEs in living organisms. Herein, an innovative near-infrared (NIR) fluorescent probe TTAP−AB has been designed for CEs detection based on aggregation-induced emission (AIE) mechanism. This probe exhibits rapid response (2 min), excellent sensitivity (limit of detection = 8.14×10−6 U/mL), and high selectivity towards CEs. Additionally, owing to the good biocompatibility, probe TTAP−AB enables to monitor the dynamic changes of CEs level under drug-induced modulation in living cells and zebrafish. More importantly, probe TTAP−AB is successfully employed to image the liver tumor and assist tumor resection by the real-time monitoring of CEs, indicating that TTAP−AB is promising to guide liver cancer surgery. Therefore, probe TTAP−AB can not only enrich the strategies for CEs detection in biological systems, but also has great potential for some clinical imaging applications, including medical diagnosis, preclinical research, and imaging-guided surgery.

In this work, zinc oxide (ZnO)/ granular activated carbon (GAC) composites at different ZnO concentration (0.25M-ZnO@GAC, 0.5M-ZnO@GAC, and 0.75M-ZnO@GAC) were prepared by an in-situ hydrothermal method and demonstrated synergistic photocatalytic degradation and ad-sorption of Rhodamine B (RhB). The thermal stability, morphological structure, elemental com-position, crystallographic structure, and textural properties of developed catalysts were charac-terized by thermal gravimetric analysis (TGA/DTG), scanning electron microscopy equipped with energy dispersive-x-ray (SEM-EDS), x-ray diffraction (XRD), and Brunauer–Emmett–Teller (BET) analysis. Successful loading of ZnO onto GAC was confirmed by SEM-EDS and XRD analysis. The BET surface areas of GAC, 0.25M-ZnO@GAC, 0.5M-ZnO@GAC, and 0.75M-ZnO@GAC were 474 m2/g, 450 m2/g, 453 m2/g, and 421 m2/g, respectively. The decrease in GAC could be attributed to the successful loading of ZnO on the GAC surface. Notably, 0.5M-ZnO@GAC exhibited the best photocatalytic degradation efficiency of 82% and 97% under UV-A and UV-C light over 120 min, attributed to improved crystallinity and visible light absorption. The photocatalytic degradation parameters revealed that lowering the RhB concentration, raising the catalyst dosage and pH be-yond the point of zero charge (PZC) would favor the RhB degradation. Photocatalytic reusability was demonstrated over 5 cycles. Scavenger tests revealed that the hydroxyl radicals (•OH), su-peroxide radicals (O2−•), and photoinduced hole (h+) radicals play a major role during the RhB degradation process. Based on the TOC results, the RhB mineralization efficiency of 79.1% was achieved by 0.5M-ZnO@GAC. Additionally, GAC exhibited a strong adsorptive performance towards RhB with adsorption capacity and RhB removal of 487.1 mg/g and 99.5% achieved within 90 min equilibrium time. The adsorption characteristics were best described by pseu-do-second-order kinetics, suggesting chemical adsorption. This research offers a new strategy for the development of effective photocatalyst materials with potential for wider wastewater treat-ment applications.

Flexible electronics have revolutionized the field by overcoming the rigid limitations of traditional devices, offering superior flexibility and adaptability. Conductive ink performance is crucial, directly impacting the stability of flexible electronics. While metal filler-based inks exhibit excellent conductivity, they often lack mechanical stability. To address this challenge, we present a novel conductive ink utilizing a ternary composite filler system: liquid metal and two micron-sized silver morphologies (particles and flakes). We systematically investigated the influence of filler type, mass ratio, and sintering process parameters on the composite ink's conductivity and mechanical stability. Our results demonstrate that flexible wires fabricated with the liquid metal/micron silver particle/micron silver flake composite filler exhibit remarkable conductivity and exceptional bending stability. Interestingly, increasing the liquid metal content results in a trade-off, compromising conductivity while enhancing mechanical performance. After enduring 5000 bending cycles, the resistance change in wires formulated with a 4:1 mass ratio of micron silver particles to flakes is only half that of wires with a 1:1 ratio. This study further investigates the mechanism governing resistance variation during flexible wire bending. Additionally, we observed a positive correlation between sintering temperature and pressure with the conductivity of flexible wires. The significance of sintering parameters on conductivity follows a descending order: sintering temperature, sintering pressure, and sintering time. Finally, we demonstrate the practical application of this technology by integrating the composite ink-based flexible wires with conductive polymer-based strain sensors. This combination successfully achieved the detection of human movements, including finger and wrist bending.

It is of great academic significance to understand how the atomic structure of interfaces and boundaries in materials impacts the magnetic coupling nature across the boundaries and encourage development of state-of-the-art magnetic devices. Here, we carry out a systematic investigation of the atomic and electronic structures of twin boundaries (TBs) in LiFe5O8 thin films and determine their concurrent magnetic couplings using atomic-resolution transmission electron microscopy and atomistic first-principles calculations. The results show ferromagnetic or antiferromagnetic coupling can exist across the different TBs in LiFe5O8 (LFO) thin films and electrical structures within a few atomic layers directly rely on the TB atomic core structures. Uncovering one-to-one relationship between the magnetic properties of individual TB and the local atomic structures will clarify a thorough comprehension of numerous fascinating magnetic properties of commonly utilized magnetic materials, which will undoubtedly encourage the progress of sophisticated magnetic materials and devices.

In this paper glass crystallization behavior of 50ZnO:47B2O3:3Nb2O3:0.5Eu2O3 (G-0h) glass has been investigated in detail by DSC, XRD and TEM analysis. The luminescent properties of resulted glass-ceramics were also investigated. By XRD and TEM analysis crystallization of several crystalline phases have been proved (α-Zn3B2O6, β-Zn3B2O6 and ZnNb2O6). By calculating of crystal parameters it was found that europium ions are successfully incorporated in the β-Zn3B2O6. Photo-luminescent spectra show an increased emission in the resulting glass-ceramic samples as compared with the parent glass sample because of the higher asymmetry of Eu3+ ions in the crystalline phases obtained. It was established that the optimum emission intensity is registered for glass-ceramic sample obtained after 25 hours heat treatment of the parent glass.

A one-pot, one-step protocol combining hydrogen transfer initiated dehydration (HTID) of 1,3-propanediol (1,3-PDO), catalysed by [Cp*IrCl2(NHC)] (Cp* = pentamethylcyclopentadienyl; NHC = carbene ligand) complexes (1-5H and 1-3F), and self-aldol condensation (SAC) of propanal (2), allowed selective production of aldehyde 2-methyl-pent-2-enal (3), in ionic liquids with high substrate conversion. The Ir(III) pre-catalysts, and the ionic liquids, were recyclable. 3 could also be selectively produced in the presence of water, and in neat 1,3-PDO. The efficient, selective delivery of a value-added chemical from 1,3-PDO, a major product of many whole cell bacterial fermentation processes, shows that the combination of chemo-catalytic processing of the chemical platform via Cp*IrCl2(NHC) - catalysed HTID / SAC with bio-catalysis has the potential to allow direct valorisation of the bio-renewable feedstocks, such as waste glycerol and sugars, into valuable chemicals.

In this work, silver nanoparticles (AgNPs) were biosynthesized from cashew nutshell liquid (CNSL) by varying the concentration of silver ions and pH of the CNSL extract. The synthesized AgNPs were further characterized to study their surface, structural, and morphological proper-ties, and tested for the degradation of methylene blue (MB) dye. The results of this study showed that depending on the conditions, particles of various sizes, ranging from 1 to 60 nm, and different degrees of stabilization and agglomeration were produced. The concentration of silver ions equal to 3 mM and the pH of the solution of ~ 4.5 (AgNP3) resulted in the most efficient biosynthesis, where particles appeared to be highly stabilized and homogeneously distributed on the surface, exhibiting a small average particle size and a narrow particle size distribution (6.7 ± 6.5 nm). Such particles further showed the highest degradation of MB, where up to 80 % degradation rates were recorded within the first 20 min. Higher concentrations of silver ions and higher pH of the extract resulted in substantial particle agglomeration and unstable synthesis, respectively, which further negatively affected the ability of particles to degrade MB. Finally, visible light showed no significant effect on the degradation of MB by AgNPs with the average degradation rates found to be about the same as under the dark conditions.

Non-woven jute (NWJ) produced from the carpet industry waste was oxidized by H2O2 or alkali treated by NaOH and compared with water-washed samples. Changes in the structure of the NWJ, tracked by XRD, showing that both chemical treatments disrupt hydrogen bond networks between cellulose Iβ chains of the NWЈ fibers. Thereafter, nano carbon nitride (nCN) was impregnated, using layer-by-layer technique, onto water washed jute sample (nCN-Jw), NaOH treated sample (nCN-Ja) and H2O2 treated sample (nCN-Jo). Analysis of the FTIR spectra of the impregnated samples, revealed that nCN anchors to the water washed NWЈ surface through hemicellulose and secondary hydroxyl groups of the cellulose. In the case of chemically treated samples nCN is preferentially bonded to the hydroxymethyl groups of cellulose. The stability and reusability of nCN-J samples were assessed by tracking the photocatalytic degradation of Acid Orange 7 (AO7) dye under simulated solar light irradiation. Results from up to ten consecutive photocatalytic cycles demonstrated varying degrees of effectiveness across different samples. nCN-Jo and nCN-Ja samples exhibited declining effectiveness over cycles, attributed to bond instability between CN and jute. In contrast, the nCN-Jw sample consistently maintained high degradation rates over ten cycles, with a dye removal percentage constantly above 90%.

Berberine (BBR), as a natural isoquinoline alkaloid, has been demonstrated various pharmacological activities, and widely applied in the treatment of diseases. The quantitative analysis of BBR is important for its pharmacological researches and clinical applications. In the work, utilizing the specific interaction between BBR and triplex DNA, a sensitive and selective fluorescent detecting method was established with DNA-templated silver nanoclusters (DNA-AgNCs). After binding with the triplex structure in the template of DNA-AgNCs, BBR quenched the fluorescence of DNA-AgNCs and formed BBR-triplex complex with yellow-green fluorescence. The ratiometric fluorescence signal showed a linear relationship with BBR concentration in a range between 10 nM to 1000 nM, with a detect limit of 10 nM. Our method exhibited excellent sensitivity and selectivity, and it was further applied in BBR detection in real samples.

Ab initio density functional theory molecular dynamics extensive calculations were used for the first time to evaluate stability conditions for relevant phases of InN. In particular, thermal decomposition of InN with formation of N2 molecules and pressure induced wurtzite – rocksalt solid-solid phase transition were established. The results consistent with available experimental data allowed a critical evaluation of potential and limitations of the proposed simulation method. The ab initio molecular dynamics as an efficient tool for simulations of phase transformations of InN including solid-solid structural transition and thermal decomposition with formation of N2 molecules has been demonstrated. It is of high interest because InN being important component of epitaxial quantum structures has still not been obtained as a bulk single crystal making difficult a determination of its basic physical properties and designing new applications.

Herein we present the biocatalysed preparation of mono-N-carbamate-protected precursor of antitumoral Nutlin-3a, through enantioselective alkoxycarbonylation of meso-1,2-disubstituted-1,2-diaminoethane, using enzyme lipases and dialkyl carbonates as acylating agents. A series of supported or free lipase enzymes were screened in combination with commercially available diallyl-, diethyl and dimethyl- carbonate. The reactions were conducted at different temperatures, reaction times and with variable co-solvent systems to evaluate the effect on the enzyme catalytic activity. The best results in terms of conversion, enantiomeric excess and yield were obtained when lipase from Candida antarctica B (CAL-B) was used with diallyl carbonate (DAC) conducting the reaction solventless at 75 °C.

Cancer is a highly heterogeneous disease and remains a global health challenge affecting millions of human lives worldwide. Despite advancements in conventional treatments like surgery, chemotherapy, and immunotherapy, the rise of multidrug resistance, tumor recurrence, and severe side effects necessitates innovative therapeutic approaches. The complex nature of the tumor microenvironment (TME) further compromises the efficacy of traditional chemotherapy drugs. Recently, stimulus-responsive nanomedicines designed to target TME characteristics (e.g., pH, redox, enzymes) have gained attention for their potential to enhance anticancer efficacy while minimizing adverse effects. Among various nanocarriers, hydrogels are an interesting class of nanocarriers used in cancer therapy due to their high water content, adjustable mechanical characteristics, and ability to respond to external/internal stimuli. These properties make hydrogels an ideal nanocarrier for controlled drug release within the TME. This review comprehensively surveys the latest advancements in stimulus-responsive hydrogels for cancer therapy, exploring various stimuli-responsive mechanisms, including biological (e.g., pH, redox), chemical (e.g., enzymes, glucose), and physical (e.g., temperature, light), as well as dual- or multi-stimuli responsiveness. This review will offer novel perspectives on the development of stimulus-responsive hydrogels for cancer therapy.

The microstructure of the substrate plays a crucial role in the anodizing process. Anodizing cast aluminum alloys is quite challenging due to the higher levels of alloying elements present compared to pure aluminum. Elements such as silicon, iron, and copper significantly impact the growth and quality of the anodic layer. Additionally, anodizing parameters such as electrolyte composition, current density, and temperature are critical in determining the morphology and thickness of the anodic film. The casting process, surface condition, and post-treatment also affect the properties of the anodic layer. Optimizing these parameters is essential to achieve a durable and high-quality anodic layer. This work aims to provide a comprehensive understanding of the various factors affecting the anodizing of cast aluminum alloys and the properties of the anodic layer, including its thickness, corrosion resistance, and wear resistance.

Mechanically homogenized composite of expanded graphite and cobalt(II) rhenate(VII) has been described. Cobalt(II) rhenate(VII) was obtained in a reaction of perrhenic acid with cobalt(II) nitrate. A simple mortar homogenization method was used to enhance intercalation of cobalt species within carbon matrix. The specific capacity of composite was enhanced by 50% in comparison to bare expanded graphite. The electrochemical characteristic was significantly improved including better cyclability, lower resistance of electrode material, lower iR drop, with respect to expanded graphite without cobalt(II) rhenate(VII) active species. Expanded graphite with its unique specific surface area and pore size diameter was proved as potential and cheap carbon support.

Honey is a very cost-efficient food source and a valuable export for the country of Uganda, but is commonly adulterated, resulting in consumers not being aware of the contents of their honey. As a result, it is important to be able to authenticate the honey that consumers are purchasing. This study evaluated the physicochemical properties (pH, free acidity, metal determination, moisture content, and FTIR spectra) of Ugandan and Manuka honey. Honey pH values ranged from 3.3 to 4.8 (±0.6) while free acidity values ranged from 34.87 to 62.22 (±8.69). The moisture content values of all honey samples were below 22%. The metal concentrations and functional groups present in Ugandan and Manuka honey were determined. Metal analysis by atomic absorption spectrometry detected five elements (Na, Ca, K, Cu, and Pb) in all honey samples in varying concentrations. The elemental concentrations were found in descending order as follows: sodium (Na) (9.38 ppm), calcium (Ca) (4.99 ppm), potassium (K) (2.48 ppm), copper (Cu) (1.87 ppm), lead (Pb) (0.28 ppm). FTIR analysis revealed similar patterns of spectral curve (O-H stretching and C-H stretching) across all honey samples analyzed, which is consistent with previously analyzed honey samples from other studies. Ugandan honey sample 7 collected in the Masaka Region was found to be most similar to the Manuka honey standard based on its observed physiochemical properties. All properties analyzed suggested Ugandan honey is of good quality and safe for consumption.

Considerable amounts of agro-industrial by-products are discarded or burnt as fuel every year. However, they can be utilized as a valuable source of fiber, phenolics and other useful compounds such as antioxidants. The profile of beneficial compounds can be affected by genotype, locality, orchard management and productive season, adding or decreasing the bioactive potential of by-products. In this study, hazelnut (Corylus avellana L.) and walnut (Juglans regia L.) nutshells were investigated for their fiber content and antioxidant capacity as valorized by-products for the industry. Determinations (ORAC, TPC and color asses) were performed in hazelnut and walnut orchards located in Southern Chile during three consecutive seasons (2020/21; 2021/22 and 2022/23). Analyses of oxygen radical absorbance capacity (ORAC) in nutshells showed the highest ORAC from both species in the season 2020/21 (3217 µmol TE g1DW for hazelnut shells and 4663 µmol TE g DW1 for walnut shells), while variability in the consecutive seasons was lower for hazelnut than in walnut. Total phenolic content in hazelnut shells was positively correlated with L* (R: 0.883) and E (R: 0.924) during 2020/21 season, also with L* for 2022/23 (R: 0.907). While ORAC was negatively correlated with L* (R: 0.922) in 2021/22. In addition, morphological and structural features of both nutshells examined by Scavenging Electron Microscopy (VP-SEM) and Confocal Scavenging Laser Microscopy (CSLM) revealed differential tissue distribution and accumulation patterns of both cellulose and lignin. On the other hand, photo-colorimetric values were determined for both shells and corresponding seasons, and non-significative differences were found both shells and among seasons Finally, these results provide insight into the physicochemical characteristics of two shell types which should be considered together with antioxidant capacity in their valorization as a residual material.

The first treatments with dental implants had low success rates (75%). Nowadays, oral rehabilitation with titanium dental implants has a high success rate (95-98%). The success rate significantly increases due to increased scientific knowledge about osseointegration, changes in surgical techniques, and the development of implant surface treatments. Despite the high success rate of implants, no protocol defines the time for the prosthesis to be installed and loaded after surgery. This work compares a new dental implant's primary (mechanical) and secondary (osseointegration) stability. Dental implant with micro- and nano-roughness surface was placed in 24 patients with a minimum of 35 N.cm and a maximum of 60 N.cm. Primary stability was quantified with a torque wrench and Ostell Mentor. The secondary stability 45 and 60 days after surgery was measured with Ostell. The results showed no statistical difference in secondary stability at 45 and 60 days postoperatively among implants. The success rate of dental implants can be associated with the surface morphology with micro and nano-roughness and the shape of the fillets of the implant threads. When the manufacturer's guidelines are followed, it is possible to prosthetically rehabilitate the patient with an implant 45 days after surgery.

In this study, the mechanical and piezoresistive properties of mortars reinforced with carbon nanotubes (CNTs) and carbon micro fibers (CMFs) are determined. Silica fume as well as a polymer with polyalkylene glycol graft chains were used as dispersant agents for the CNTs and CMFs incorporation into the cement paste. The mechanical properties of the mortar composites were investigated in respect to their flexural and compressive strength. A four-probe method was used for the estimation of their piezoresistive response. The test outcomes revealed that the combination of the dispersant agents along with a low content of CNTs and CMF by weight of cement (bwoc) result in the production of a stronger mortar with enhanced mechanical performance and durability. More specifically, there was an increase in flexural and compressive strength up to 38% and 88%, respectively. Moreover, the piezoresistive response of the reinforced cementitious materials was attributed to the variation of electrical resistivity due to tunneling transport of electrons stemming from two different mechanisms due to the incorporation of the conductive admixtures (CNTs and CMF). This work aims to contribute to the progress acceleration in the field of developing structural materials with self-sensing and electrical actuation related properties.

The main motive of this study was to find an auxiliary application of the discarded agricultural remnants and poultry waste. Rice straw and chicken feathers are disposed off as landfills or incinerated causing pollution and environmental threats after their primary consumption. In this study epoxy composites were made using varying proportions of these raw and alkali treated materials. Flexural strength of the composites decreased till 35% fiber loading, followed by an increase. Chicken feather composites showed increased impact strength with fiber addition. Alkali treatment improved the mechanical properties of rice straw composites. Alkali treated chicken feather composites showed better impact strength but no significant change in flexural strength. Hybrid composites explicated enhanced properties both before and after alkali treatment corroborating noteworthy interfacial adhesion and synergistic effect of these fibers as ascertained from SEM images. The study evinced a better option for averting environmental problems by recycling these disposed materials.

A three-dimensional vector field model is proposed, whose dimensions are the Hansen Solubility Parameters: dispersion parameter (δD), polarity parameter (δP), and hydrogen bonding parameter (δH). The vector space that defines the field has the peculiarity of having the dispersion vector with a magnitude of 2, as its base vector, while polarity and hydrogen bonding vectors have a magnitude of 1. A substance is characterised as a position vector, and the interaction between two substances is determined by calculating the vector difference of both, known as the interaction vector. Interaction among substances may involve solubility, swelling, cracking, surface tension, interface tension, and any physical phenomena where intermolecular energies of dispersion, polarity or hydrogen bonding come into play. This paper studies free surface energy (surface and interfacial tension). It has been found that free surface energy is directly proportional to the square of the magnitude of the interaction vector. The proportionality constant, τ, is expressed in length units, has a value of 0.025 nm, and does not depend on the chemical nature of the substance or state of matter (solid, liquid or gas). Constant value τ appears universal and aligns with the thickness of interfaces, thereby supporting Guggenheim's hypothesis. This hypothesis asserts that interfaces possess actual thickness and are not merely mathematical surfaces, as originally postulated by Gibbs. Moreover, it also has been found that interface thickness, τ, is approximately equal to half of the Bohr radius, a0, which is defined by universal constants. Because the solubility parameters of thousands of substances are known and can be easily determined from molecular structure, a good approximation of the surface and interfacial tension of any given substance can now be calculated. It has also been found that contact angles of sessile droplets in three-phased systems can be calculated from the interaction vectors of the implicated substances.

Sulfur and selenium-containing organic compounds (amino acids and xenobiotics) have received interests as potential medicines, sources of the selenium and antioxidants. The purpose of the study was to comparatively investigate the antioxidant capacity of sulfur- and selenium-containing amino acids, xenobiotics and the study of possible mimetic properties of selenocystine. To evaluate the antioxidant capacity, coulometric oxidation with electrogenerated bromine was used. Methionine, cystine and selenocystine react with bromine quickly and quantitatively. Diacetophenonyl selenide, ebselen and selenopyran are oxidized nonstoichiometrically, but show high antioxidant capacity. We hypothesized that selenium xenobiotcs might be exert prolonged antioxidant effect. Conditions have been optimized to determine antioxidant capacity of selenium and sulfur substances in water and methanol. We proposed theory and reactions schemes for the interaction of bromine with methionine, cystine, selenocystine diacetophenonylselenide, ebselen, thiopyran and selenopyran. Antioxidant capacities in both water and methanol decrease in the following order: L-cystine > L-selenocystine > methionine. Sulfur-containing substances in methanol show higher antioxidant capacity than selenium-containing antioxidants. Among selenium-containing xenobiotics, DAPS shows the highest antioxidant capacity (comparable to cystine). Selenopyran and ebselen are less active as antioxidants. Diselenide bond is a selenocystin chromophore for its UV-assay. For the first time we demonstrated the ability of selenocystine to be actively involved in redox reactions and to act as a mimetic, a low-molecular-weight analogue of glutathione peroxidase.

Elemental sulfur, commonly known for its wide range of biological activity, has a long history of being used to protect all garden and vegetable crops from a range of pests and diseases, including powdery mildew, ascochyta blight, clubroot, plant mites, oidium, anthracnose, and scab. In the present study, a quick and environmentally friendly approach has been developed for the synthesis of sulfur nanoparticles with antibacterial activity. Sulfur nanoparticles (SNPs) were prepared by modifying the surface of elemental sulfur using various polyelectrolyte-surfactant mixtures (PSM) including NaCMC-SDBS and PHMG-CTAB. The SNPs were characterized by UV–visible spectrophotometry, X-ray diffraction (XRD), and thermogravimetric analysis (TG/DSC), scanning electron microscopy (SEM), with the SNPs showing an almost spherical shape with an average size in the range of 150-200 nm. The antibacterial activity of the sulfur nanoparticles was tested using against gram-positive S. aureus and E. faecium and gram-negative E. coli and P. aeruginosa bacteria. From this, it could be seen that SNPs exhibited significant antimicrobial activity against gram-positive bacteria, i.e., S. aureus and E. faecium. The in vitro cytotoxicity of the SNPs-1 and SNPs-2 studied to normal (MeT-5A) and tumorous (MCF-7) human cell lines was assessed in the concentration range from 500 μg/ml to 0.12 mg/ml, from which it was determined as being non-cytotoxic. The received products can be considered for potential application in agriculture and medicine.

Low-frequency peaks in the Raman spectra of amorphous poly (ether ketone) (PEEK) are investigated. An amorphous sample with zero crystallinity, as confirmed by WAXRD, was used in this study. In a previous study, two peaks were observed in the low-frequency Raman spectra of crystallized samples. One of the peaks at 135 cm-1, disappeared for the amorphous sample. Furthermore, the peak at 50 cm-1 was observed for the first time in the crystallized sample. The peak at 50 cm-1, similar to the peak at 135 cm-1, disappeared in the amorphous state, and its intensity increased with increasing crystallinity. The origins of the two peaks were both associated with the Ph-CO-Ph-type intermolecular vibrational modes in the simulation. It was suggested that the Ph-CO-Ph vibrational mode observed in the low-frequency region of PEEK was strongly in-fluenced by the intermolecular order.

In this article, the sol-gel method was used as a synthesis method, which shows the physico –chemical nature of the synthesis of a new complex material ferrit Li0.5MnFe1.5O4. The synthesized structure and structure were determined by the method of X-ray phase analysis. According to the analysis indicators, it was found that our compound is single-phase, spinel-structured, and syngony - cubic type. The microstructure of the compound and the quantitative composition of the elements contained were analyzed under a scanning electron microscope (SEM). Through a scanning electron microscope, Microsystems were taken from different parts of l Li0.5MnFe1.5O4-type crystallite, the elemental composition of crystals was analyzed, and the general type of surface layer of complex ferrite was shown. As a result, the fact that the compound consists of a single phase, the clarity of its construction was determined by the topography and chemical composition of the compound. As a result, it was found that the newly synthesized complex ferrites correspond to the Formula Li0.5MnFe1.5O4. The particles of the formed compounds have a large size (between 50.0 μm, 20.0 μm and 10.0 μm). Electro physical measurements were carried out on the LCR - 800 unit at intervals of 293-483 K and at frequencies of 1.5 and 10 kHz. The increase in frequency to 10 kHz led to a decrease in the value ε in the range of the studied temperature (293-483 K).

As a member of smart materials, electrorheological elastomers (EREs) formed by pre-treating active electrorheological particles are attracting more and more attention. In this work, four Mg-doped strontium titanate particles with spherical, dendritic, flake-like and pinecone-like morphorlogies were obtained by hydrothermal and low-temperature co-precipitation. XRD, SEM, Raman and FT-IR were used to characterize the obtained products. The results showed that the sizes of Mg-doped strontium titanates are about 1.5‒2.0 μm, and the phase structure are dominated by cubic crystal. These Mg-doped strontium titanates were dispersed in a hydrogel composite elastic medium. Then, Mg-doped strontium titanate/glycerol/gelatin electrorheological composite hydrophilic elastomers were obtained with or without electric field. The electric field response properties of Mg-doped strontium titanate composite elastomers were investigated. It concluded that dendritic Mg-doped strontium titanate composite elastomers is high-performance EREs. And the maximum value of energy storage modulus of Mg-doped strontium titanate composite elastomers has achieved 8.70 MPa. This high electrorheological performance of the products is helpful for their applications in vibration control, force transducers, smart structures, dampers, and other fields.

Self-healing materials research spans many academic disciplines and employs a wide range of methodologies. Some of the developed concepts are driven by the direct application of the materials. However, a deeper understanding of the basic mechanisms and principles of self-healing materials is still a challenging aim. Nature has mostly served as an inspiration for the development of new self-healing materials, and it will undoubtedly continue to be a significant source of inspiration for the creation of novel ideas. This review encompasses the principles of self-healing mechanisms based on the concepts of autonomous and non-autonomous procedures. Studies based on smart composite materials with autonomous self-healing properties are also included and discussed from two aspects of intrinsic or extrinsic abilities, taking into consideration their components and structures as well as the design of these composites. Finally, special attention is given to the application of the materials in several fields such as aerospace, automotive, marine, energy, medical and healthcare, military, and construction.

It is an utmost importance to characterize drug candidates as early in the development pipeline as possible. Appropriate application of the emerging high throughput analytical techniques unlocks the opportunities to obtain experimental data for in vitro absorption, distribution, metabolism and elimination (ADME) profiling of large compound libraries which is crucial for selection of lead compounds. In an usual scenario, only one drug candidate will be selected from thousands of early compounds based on several stability and screening results. A high to medium throughput screening approaches could significantly accelerates the subsequent research and production phases. Traditionally, the analysis of metabolic stability assays heavily relies on high throughput LC-MS/MS techniques to meet with the lead profiling demands. In this study presented an innovative experimental approach that can offer a refreshing alternative. Laser Assisted Rapid Evaporative Ionization Mass Spectrometry (LA-REIMS) is a quick and efficient method for characterizing complex biological samples without laborious sample preparation and chemical separation. Therefore, using an automated LA-REIMS well plate reader as fast as 8 seconds per sample, we assessed the oxidative metabolic stability of active agents using biomimetic metalloporphyrin-based oxidative model reactions at various pH for commercially available drug substances and compared stability measurements with traditional HPLC-DAD-MS results.

The structure and physicochemical properties of polyvinyl alcohol (PVA) and PVA/glycerol films have been investigated by Fourier-transform infrared spectroscopy (FT-IR), X-ray Diffraction (XRD), thermogravimetry/differential thermal analysis (TG/DTA), and advanced scanning probe microscopy (SPM). In the pure PVA films, SPM allowed us to observe ribbon-shaped domains with a different frictional and elastic contrast, which apparently originated from a correlated growth or assembly of PVA crystalline nuclei located within individual PVA clusters. The incorporation of 1.0 wt.% glycerol led to modification in shape of those domains from ribbon-like in pure PVA to rounded in PVA/glycerol 1.0 wt.% films; changes in the relative intensities of the XRD peaks and a decrease of the amorphous halo in the XRD pattern were also detected, while the DTA peak corresponding to the melting point remained at almost the same temperature. For higher glycerol content, FT-IR revealed additional glycerol-characteristic peaks presumably related to the formation of glycerol aggregates, and XRD, FT-IR, and DTA all indicated a reduction in crystallinity. For more than 2.0 wt.% glycerol, the plasticization of the films complicated the acquisition of SPM images without tip-induced surface modification. Our study contributes to the understanding of crystallinity in PVA and how it is altered by a plasticizer such as glycerol.

Materials engineering based on metal oxides for manipulating the solar spectrum and producing solar energy have been under intense investigation over the last years. In this work, we present NiO thin films double-doped with niobium (Nb) and nitrogen (N) as cation and anion dopants (NiO:(Nb,N)) to be used as p-type layers in all oxide transparent solar cells. The films were grown by sputtering a composite Ni-Nb target on room-temperature substrates in plasma containing 50% Ar, 25% O2 and 25% N2 gases. The existence of Nb and N dopants in the NiO structure was confirmed by the Energy Dispersive X-Ray and X-Ray Photoelectron Spectroscopy techniques. The nominally undoped NiO film, which was deposited by sputtering a Ni target and used as the reference film, was oxygen-rich, single-phase cubic NiO, having a visible transmittance of less than 20%. Upon double doping with Nb and N the visible transmittance of NiO:(Nb,N) film increased to 60%, which was further improved after thermal treatment to around 85%. The respective values of the direct band gap in the undoped and double-doped films were 3.28 eV and 3.73 eV just after deposition and 3.67 eV and 3.76 eV after thermal treatment. The changes in the properties of the films such as structural disorder, direct and indirect energy band gaps, Urbach tail states and resistivity were correlated with the incorporation of Nb and N in their structure. The thermally treated NiO:(Nb,N) film was used to form a diode with a spin-coated two-layer, mesoporous on top of a compact, TiO2 film. The NiO:(Nb,N)/TiO2 heterojunction exhibited visible transparency of around 80%, showed rectifying characteristics and the diode’s parameters were deduced using the I-V method. The diode revealed photovoltaic behavior upon illumination with UV light exhibiting a short circuit current density of 0.2 mA/cm2 and open-circuit voltage of 500 mV. Improvements of the output characteristics of the NiO:(Nb,N)/TiO2 UV-photovoltaic by proper engineering of the individual layers and device processing procedures are addressed. Transparent NiO:(Nb,N) films can be potential candidates in all-oxide ultraviolet photovoltaics for tandem solar cells, smart windows and other optoelectronic devices.

This review is dedicated to sustainable practices in liquid chromatography. HPLC and UHPLC methods contribute significantly to routine analytical techniques. Therefore, the transfer of classical liquid chromatographic methods into sustainable ones is of utmost importance in moving toward sustainable development goals. Among other principles to render a liquid chromatographic method green, substitution of the organic solvent component in the mobile phase with a greener one received great attention. This review concentrates on choosing the best alternative green organic solvent to replace the classical solvent in the mobile phase for easy rapid transfer to a more sustainable normal phase or reversed-phase liquid chromatography. The main focus of this review will be on describing the transfer of non-green to green and white chromatographic methods in an effort to elevate the sustainability best practice in analytical chemistry. The greenness properties and greenness ranking in addition to the chromatographic suitability of seventeen organic solvents for liquid chromatography are mentioned to have a clear insight into the issue of rapidly choosing the appropriate solvent to transfer a classical HPLC or UHPLC method into a more sustainable one. A simple guide is proposed for making the liquid chromatographic method more sustainable.

The growing requirements regarding the safety of using polymers and their composites are related to the emergence of more effective, sustainable, and hazardous-limited fire retardants (FR). Significant amounts of FR are usually required to effectively affect the polymer burning behavior, while the knowledge of their recycling potential is still insufficient. At the same time, concerns are related not only to the reduced effectiveness of flame retardancy but, above all, to the potential deterioration of mechanical properties caused by the degradation of temperature-affected additives under processing conditions. This study describes the impact of four-time reprocessing of bio-based polyamide 11 (PA11) modified with an intumescent flame retardant (IFR) system composed of ammonium polyphosphate (APP), melamine cyanurate (MC) and pentaerythritol (PER) and its composites containing additionally short basalt fibers (BF). Composites manufactured by twin-screw extrusion were subjected to four reprocessing cycles by injection molding, comprehensively analyzing structural, mechanical, and fire behavior changes in each cycle. The obtained results confirmed the safety of using the proposed flame-retardant system for polyamide, processed under the recommended process parameters, without the risk of significant changes in the structure despite the partial increase in flammability caused mainly by the degradation of the polymer.

Alginate-silver nanocomposites in the form of spherical beads and films were prepared using a green approach by using the aqueous extract of Ajwa dates seeds. The nanocomposites were fabricated by in situ reduction and gelation method by ionotropic crosslinking using calcium ions in solution. The rich phytochemicals of the dates seeds extract played a dual role as reducing and stabilizing agent in the synthesis of silver nanoparticles. The formation of silver nanoparticles was studied using UV-Vis absorption spectroscopy and a distinct surface plasmon resonance (SPR) peak at 421 nm characteristic of silver nanoparticles confirmed the green synthesis of silver nanoparticles. The morphology of the nanocomposite beads and film was compact with even distribution of silver nanoclusters. The catalytic property of the nanocomposite beads was evaluated for the degradation of 2-nitrophenol in the presence of sodium borohydride. The degradation followed pseudo-first order kinetics with a rate constant of 1.40 ´ 10^-3 s^-1 at 23 °C with an activation energy of 18.45 kJ mol^-1. The thermodynamic parameters such as changes in enthalpy and entropy were evaluated to be 15.22 kJ mol^-1 and -197.50 J mol^-1 K^-1, respectively. The nanocomposite exhibited properties against three clinically important pathogens (Gram-positive and Gram-negative bacteria)

2019-n-CoV is the seventh coronavirus known to infect humans and cause serious illness, and due to its lethality there was a worldwide mobilization for the development of new drugs and new vaccines for Covid-19. Therefore, the present work aims to carry out a virtual screening of terpenes with potential anti SARS-CoV-2 activity. To perform the ligand-based virtual, a model was constructed regarding the compounds which already showed inhibitory activity of the SARS-CoV-2. The test series corresponded to terpenes isolated in the Fabaceae Family. The compounds that were most likely to activity were subjected to Molecular Docking and the best poses obtained were subjected to Molecular Dynamics (MD) simulations carried. The molecules under study were submitted to in vitro evaluation to assess inhibitory activity of compounds against SARS-CoV-2 in a phenotypic screening model of the virus. The compounds selected by in silico screening corresponded to triterpenoids from the lupane series. In the in vitro test, both demonstrated activity against the SARS-CoV-2 virus. The virtual screening performed managed to identify the compounds with the highest probability of activity, as well as the most stable compounds, and the method used was validated by the in vitro study carried out.

The importance of rare earth elements as the basis in the development of new technologies or the improvement of the used ones, made of a necessity its recovery, besides that from raw materials, from waste materials. In this recovery, Hydrometallurgy and its derivative Solvometallurgy, play a key role due to its operational characteristics, which are emphasized with the use of ionic liquids. The manuscript reviewed the most recent advances (2023 and 2024 years) about the use of ionic liquids in the unit operations (leaching and separation technologies) aimed to the recovery of these valuable and strategic metals. Moreover, a comprehensive review about the use of these chemicals in the development of advanced materials containing some of these rare earth elements is presented.

The reaction between cadmium nitrate tetrahydrate and N,N'-bis(pyridin-3-ylmethyl)oxalamide (L) in 1:3 molar ratio in water/acetonitrile (1:6 v/v) mixture afforded single crystals of compound 1 suitable for X-ray diffraction analysis. Compound 1 consists of the coordination polymer (CP) [[Cd(L)2(H2O)2](NO3)2·4H2O]∞, in which CdII ions are bridged by the neutral L antiperiplanar N-ligands in a wavy ribbon fashion developing along the c-axis. Two trans-disposed water molecules complete the pseudo-octahedral coordination geometry of the metal ion. The crystal packing of 1 revealed the interplay between π-π stacking interactions and an intricate hydrogen-bonded network involving oxalamides, nitrates and water molecules. The donor properties of L and the intermolecular interactions in compound 1 are interpreted based on hybrid-DFT calculations.

Temperature Cycle Induced Deracemization (TCID) offers a promising approach to obtain enantiopure solids from racemic mixtures. By combining rapid racemization in solution and temperature swings, homochirality is theoretically achieved. Despite theoretical expectations of doubled yields compared to traditional chiral separation methods, such as in Preferential Crystallization, experimental validation remains lacking. We applied TCID to (1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl) pentan-3-one) (Cl-TAK), introducing a post-TCID cooling step to enhance yield and a washing step to augment enantiopurity. This refinement yielded an 89.8% mass yield with 99.1% enantiomeric excess in the crystal phase (c.e.e.) within 24 hours on an 8.75g scale, showcasing improved performance with insignificant process duration extension. Additionally, we explored the stochasticity of deracemization, observing the development from low initial crystal enantiomeric excesses(1-6% c.e.e0) at a 2.5 g scale. Kinetic analysis revealed that a 2% c.e.e0 effectively mitigates chiral flipping risks and induction time in our system. Our study underscores the potential for reduced initial c.e.e. to expedite deracemization and presents a straightforward method to optimize yield and purity, facilitating industrial application.

This study examines the potential of UiO-66 and g-C3N4-based composite catalysts for environmental purification and pesticide degradation. By integrating zirconium-based metal-organic framework UiO-66 with graphitic carbon nitride (g-C3N4), a composite with a Z-type heterojunction structure is created, enhancing photocatalytic pesticide degradation and phosphorus recovery. The optimal composite, UiO-66/g-C3N4(UG6:4), shows high efficiency in degrading organophosphorus pesticides like DDVP under visible light. This catalyst's high surface area and porous nature efficiently adsorb and break down persistent soil pollutants, including DDT and DDVP. Featuring robust stability and effective photocatalytic activity, the UiO-66/g-C3N4 composite holds promise for soil remediation and dealing with organic pollutants. Future research will aim to further refine this material’s structure and properties, ensuring its practical application in environmental cleanup.

The spread of micro- (MPs) and nanoplastics (NPs) in the environment has become a significant environmental concern, necessitating effective removal strategies. In this comprehensive scientific review, we examine the use of magnetic nanoparticles (MNPs) as a promising technology for the removal of MPs and NPs from water. We first describe the issue of MPs and NPs and their impact on the environment and human health. Then the fundamental principles of using MNPs for the removal of these pollutants will be presented, emphasizing that MNPs enable selective binding and separation of MPs and NPs from water sources. Furthermore, we provide a short summary of various types of MNPs that have proven effective in the removal of MPs and NPs. These include ferromagnetic nanoparticles, MNPs coated with organic polymers, as well as nanocomposites and magnetic nanostructures. We also review their properties, such as magnetic saturation, size, shape, surface functionalization and stability, and their influence on removal efficiency. Next, we describe different methods of utilizing MNPs for the removal of MPs and NPs. We discuss their advantages, limitations, and potential for further development in detail. In the final part of the review, we provide an overview of existing studies and results demonstrating the effectiveness of using MNPs for the removal of MPs and NPs from water. We also address challenges that need to be overcome, such as nanoparticle optimization, process scalability, and the removal and recycling of nanoparticles after the completion of the process. This comprehensive scientific review offers an extensive insight into the use of MNPs for the removal of MPs and NPs from water. With improved understanding and the development of advanced materials and methods, this technology can play a crucial role in addressing the issue of MPs and NPs and preserving a clean and healthy environment.

The effects of the ferrocenyl moiety to enhance the nucleophilicity of the carbonyl group, situated at its adjacent position, have been explored in a series of α-ferrocenyl ketocarboxylic acids. In the presence of trifluoroacetic anhydride, 3-ferrocenoylpropionic acid and 4-ferrocenoylbutyric acid gave 5-ferrocenyl-4-trifluoroacetyl-2(3H)-furanone and 6-ferrocenyl-5-trifluoroacetyl-3,4-dihydropyran-2-one, respectively. Under similar reaction conditions, 2-ferrocenylcarbonylbenzoic acid, a keto carboxylic acid without a β-hydrogen, gave a dimerized lactone, 3,3’-diferrocenyl-3,3’-diphthalide possibly due to radical coupling. The nucleophilic attack of carbonyl oxygen, activated by the ferrocenyl moiety, to the carboxylic carbon, is assumed to be the crucial mechanistic step in forming these lactones. When the carbonyl group was reduced to an alcohol to break its conjugation with the ferrocenyl moiety, saturated lactones were isolated after the acidic workup. These results indicate that the α-ferrocenyl carbinols readily undergo solvolysis under acidic conditions, giving ferrocenylcarbenium ions, which are attacked by the carboxy oxygen to give lactones.