Potassium 6-oxo-7,13,16,22-tetraazatetracyclo[12.6.2.18,12.017,21]tricosa-1(20),8(23),9,11,14,16,18,21-octaen-2-yne-15-carboxylate was synthesized through a multi-step pathway starting from commercially available 3-iodo-1,2-phenylenediamine. Structure characterization of this new substituted macrocyclic quinoxaline compound was achieved by using 1H NMR, 13C NMR, and HRMS spectral analysis. This new macrocyclic derivative demonstrated submicromolar potency on both Pim-1 and Pim-2 isoforms, with an interesting selectivity profile against a selected panel of human kinases.

The paper considers the issues of structural stability, electronic properties, and phonon dispersion of the cubic, tetragonal, and monoclinic phases of ZrO2. It was found that the monoclinic phase of zirconium dioxide is the most stable among the other two phases in terms of total energy, lowest enthalpy, highest entropy, and other thermodynamic values. The smallest negative modes were found for m-ZrO2. An analysis of the electronic properties showed that during the m–t phase transformation of ZrO2, the Fermi level first shifts by 0.125 eV towards higher energies, and then decreases by 0.08 eV in the t–c cross section. The band gap for c-ZrO2, t-ZrO2, and m-ZrO2 is 5.140 eV, 5.898 eV, and 5.288 eV, respectively. Calculations based on the analysis of the influence of doping 3.23, 6.67, 10.35 and 16.15 mol. %Y2O3 on the m-ZrO2 structure showed that the enthalpy of m-YSZ decreases linearly, which accompanies further stabilization of monoclinic ZrO2 and an increase in their defectiveness. In this case, the position of the Fermi level changes abruptly, and the energy gap decreases. It has been established that not only for pure systems, including those doped with Y2O3, the main contribution to the formation of the conduction band is made by the p-states of electrons. An analysis of the mechanism of water adsorption on the surface of t-ZrO2 (101) and t-YSZ (101) showed that H2O on unstabilized t-ZrO2 (101) is adsorbed dissociatively with an energy of -1.22 eV, as well as by the method of molecular chemisorption with an energy of -0.69 eV and the formation of a hydrogen bond with a bond length of 1.01 Å. In the case of t-YSZ (101), water is molecularly adsorbed onto the surface with an energy of -1.84 eV. Dissociative adsorption of water occurs at an energy of -1.23 eV, near the yttrium atom.

Abstract：Objective: To compare the effects of fermentation on the chemical composition of Gastrodia Tuder Halimasch Powder, and to provide a basis for the processing, processing and clinical application of this medicinal material. Methods: UHPLC-Q-Orbitrap HRMS was used to identify compound structure by comparing excimer ions, characteristic fragment ions and reference substances, and referring to relevant literature and database search. The main differential components were screened by orthogonal partial least squares-discriminant analysis (OPLS-DA), and the differential components were quantitatively studied by high performance liquid chromatography, and the differences in the types and contents of chemical components before and after fermentation were compared. Results: A total of 77 compounds were identified or preliminarily derived after fermentation, including 21 terpenes, 18 organic acids, 9 flavonoids, 7 nucleosides, 6 amides, 4 amino acids, 2 pyrrolidone derivatives, 2 sterols, 2 alkaloids and 6 others.Through high performance liquid chromatography, it was found that the content of daidzein genistein and ergosterol was significantly increased after fermentation, and a new component ergosterol was produced. Compared with Gastrodia Tuder Halimasch Powder before fermentation, the content of genistin and other components was significantly reduced, and there may be a process of genistin conversion to genistein.Conclusion: The fermentation process will have a certain influence on the types and contents of the chemical components of Gastrodia Tuder Halimasch Powder, and ergosterol, genistein and .daidzein may be the main pharmacodynamic components, which can provide a useful reference for the clinical rational application, quality control and mechanism of action of Gastrodia Tuder Halimasch Powder.

The possibility of deep radiochemical purification of Li2CO3 has been examined in the frame of the purification program of AMoRE collaboration. In this experiment, commercial Li2CO3 was converted into LiNO3. Co-precipitation with inorganic salt-based carriers followed by membrane filtration and sorption using MDM inorganic sorbent methods were tested for the removal of alkaline-earth and transition metals, potassium, magnesium, aluminum, uranium, thorium, and radium. The calcium molybdate-based carrier was the most efficient for removing Th, U, and K. Subsequently, the radium, calcium, and barium contaminations were removed with MDM sorbent. After the impurities’ removal, the final Li2CO3 product was synthesized with NH4HCO3 sludge. The separation factors were derived by means of ICP-MS and HPGe analyses of the initial material, intermediate and final products. The study showed the optimum conditions of co-precipitation and sorption to reach a high yield and radiopurity of lithium carbonate used for low radioactive background experiments.

The phenomenon of ordered self-assembly on solid substrates is a topic of interest in both fundamental surface science research and its applications in nanotechnology. The regulation and control of two-dimensional (2D) self-assembled supra-molecular structures on surfaces have been realized through applying external stimuli. By utilizing scanning tunneling microscopy (STM), researchers can investigate detailed phase transition process about self-assembled monolayers (SAMs), providing insight into the interplay between intermolecular weak interactions and substrate-molecule interactions, which govern the formation of molecular self-assembly. This review will discuss the structural transition of self-assembly probed by STM in response to external stimuli and provide state-of-art methods such as tip induced confinement for the alignment of SAM domains and selective chirality. Finally, we discuss the challenges and opportunities in the field of self-assembly and STM.

Three-dimensional (3D) and four-dimensional (4D) printing emerged as the next generation of manufacturing techniques, spanning several research areas such as engineering, chemistry, biology, computing, and materials science. Three-dimensional printing allows the manufacture of complex shapes with high precision, by adding layer by layer of different materials. The use of smart materials that change shape or color, produce an electrical current, become bioactive, or perform an intended function in response to an external stimulus. Shape memory materials (SMMs) in 3D printing technology have attracted a lot of attention due to their ability to respond to external stimuli, leading this technology towards an emerging area of research, "4D printing technology." The core part of this review summarizes the effect of the main external stimuli on 4D textile materials followed by the main applications 4D printed textiles can change their shape over time due to external stimuli such as temperature.

CuO/ZnO/Al2O3 catalyst is a commonly used catalyst for rea methanol steam reforming reaction. Oxalic acid was as precipitant in preparing oxalate precursor of CuO/ZnO/Al2O3 catalyst by co-precipitation, deionized water and ethanol were as solvents, microwave irradiation and water bath were as aging heating manner respectively. It indicated that ethanol selected crystal phase composition of oxalate precursors and restricted their growth. Microwave irradiation prompted the isomorphous substitution between Cu2+ of CuC2O4 and Zn2+ of ZnC2O4 in mother liquid, forming the master phase (Cu,Zn)C2O4 in precursor, the solid solution Cu-O-Zn formed after calcination, which exhibited nano-fibriform morphology. It possessed small CuO grains, large surface area and strong synergy between CuO and ZnO, which is beneficial to improve the catalytic performance of methanol steam reforming, the STY of H2 reached 516.7 mL·g-1·h-1, and the selectivity of CO was only 0.29%.

Hydrothermal carbonization of cellulose was examined at 240 ℃ for 1 h. Ammonium sulfate and thiourea were selected as the doping sources of inorganic nitrogen and organic nitrogen for the preparation of supercapacitor carbon. The effect of boric acid on the properties of the resulting hydrochar after KOH activation was examined. The results showed that the proportion of functional groups and the specific surface area of the activated hydrochar would be reduced after the addition of boric acid, and the pore-forming process of the micropores would be inhibited. The hydrochar obtained from the reaction of cellulose and organic nitrogen compounds had better pore size distribution and electrochemical properties after activation. The largest specific surface area (952.27 m2 g-1) was obtained when only thiourea was used as the only doping source. In the three-electrode system, the specific capacitance resulting activated hydrochar reached 236.25 F g-1 at a current density of 1 A g-1. After 20,000 cycles of charging and discharging at a current density of 10 A g-1, the capacitance retention rate reached 99.96%. Therefore, this study proves that the supercapacitor carbon with good electrochemical properties could be obtained by the direct reaction of cellulose with organic nitrogen compounds.

In contrast to some low molar-mass per- and polyfluoroalkyl substances (PFASs), well-established to be toxic, persistent, bioaccumulative and mobile, fluoropolymers (FPs) are water insoluble, safe, bio-inert, durable niche high performance polymers which fulfil the 13 polymer of low concern (PLC) criteria in their recommended conditions of use. In addition, more recent innovations (e.g., the use of non-fluorinated surfactants in aqueous radical (co)polymerization of fluoroalkenes) from industrial manufacturers of FPs are highlighted. This review also aims at showing how these specialty polymers endowed with outstanding properties are essential (even irreplaceable since hydrocarbon polymer alternatives used in similar conditions fail) for our daily life (electronics, Energy, optics, internet of things, transportation, etc) and constitute a special family a part from other “conventional” C1-C10 PFASs found everywhere on the Earth and Oceans. Furthermore, some information reports the recycling (e.g. the unzipping depolymerization of polytetrafluoroethylene, PTFE, into TFE), end of life of FPs, their risk assessment, circular economy and regulations. Various researches are devoted to Environment involving FPs, though they represent a niche volume (with a yearly production of 330,300 tonnes) compared to all plastics (with 460 million tonnes). Complementary to other reviews on PFASs, which lack of such above data, this review presents both fundamental and applied strategies as evidenced by major FP producers.

In this work, we report on the first attempt using size-controlled ZnO nanoparticles (NPs) to analyze role of thioacetamide (TAA) in forming ZnS nanostructures from ZnO. The size-controlled B(blue)_, G(green)_, Y(yellow)_ZnO QDs, and NC (nanocrystalline)_ZnO NPs were synthesized by sol-gel process as well as hydrothermal method, respectively and then reacted with an ethanolic TAA solution as sulfur source. After reacting with TAA, the formation of ZnS QDs was observed over time. The chemical reactions were identified using X-ray diffraction (XRD), Transmission Electron Microscope (TEM), UV-vis spectroscopy, and Photoluminescence (PL). All results indicate that ZnS formation is due to direct crystal growth and/or chemical conversion of ZnO to ZnS. Our results enable a broader understanding of the synthetic mechanisms involved in the use of TAA as a sulfur source in forming ZnS nanostructures from ZnO.

The diverse physical appearances and wide density range of polymer bead foams offer immense potential across various applications and future advancements. The multi-scale and multi-level structural features of bead foams involve many fundamental scientific topics. This review presents a comprehensive overview of recent progress in bead foams preparation and molding techniques. Initially, a comparative analysis is conducted among bead foam characteristics of distinct polymers, based on their unique properties. Subsequently, a summary and comparison of molding processes employed for fabricating bead foam parts are provided. Beyond traditional methods like steam-chest molding (SCM) and adhesive-assisted molding (AAM), emerging techniques like in-mold foaming and molding (IMFM) and microwave selective sintering (MSS) are highlighted. Lastly, the bonding mechanisms behind the diverse molding methods are discussed.

Magnesium oxide is typically white and can be colorized with transition metal insertion by doping or by adsorption. We present the preparation of green colored hydroxide by the adsorption of nickel ions by porous MgO. MgO was prepared by the colloidal starch suspension method and used to remove nickel ions from the aqueous solution. The oxides and hydroxides, before and after adsorption, were characterized by X-ray diffraction technical, and show that a phase change occurs, a transition from periclase (MgO) to brucite (Mg(OH)2) due to the interaction with nickel salts (acetate, chloride, and nitrate). The FTIR spectrum corroborates with the DRX data on the formation of brucite like crystal lattices. The new samples present a green color, indicative of the incor-po-ration of the Ni2+ ions. Mixed oxides in the form of brucite were used in microbiological tests and showed action against fungi and bacteria, with bactericidal, bacteriostatic, or fungistatic function. Green brucite (NixMg1-x(OH)2) can be used as an inorganic pigment in white or colorless paints with a special biocidal property.

Rising consumer demand for more safety, healthy and fresh-like food has given new concepts for food packaging. Besides, the growing concern with environmental issues has increased the search for materials from non-petroleum sources and biodegradable ones. Thus, active films based on biopolymers loaded with natural active compounds have potential to be used as food packaging. However, there are a lot of lipophilic active compounds that are a problem to incorporate in hydrophilic matrices, such as polysaccharides and proteins. One way to overcome these challenges is adding these compounds encapsulated in O/W emulsions. The incorporation of emulsion in biopolymeric matrix has influence in the film properties, such as mechanical, barrier, optical, among other. In this way, this review aims to point out the main characteristics of the emulsions systems encapsulating active compounds and its influence in the film properties and to present and discus critically the recent advances in the area.

A fluorescent probe, N'-((3-methyl-5-oxo-1-phenyl-4, 5-dihydro-1H-pyrazol-4-yl) methylene)-2-oxo-2H-chromene-3-carbohydrazide (MPMC), was synthesized and characterized. Characterizations of the synthetic MPMC were conducted by proton nuclear magnetic resonance (1HNMR) spectroscopy and carbon-13 nuclear magnetic resonance spectroscopy (13C NMR). The fluorescence emission behaviors of probe MPMC towards diverse metal ions were detected and the probe exhibited high sensitivity and selectivity towards Cu2+ over other metal ions via quenching of its fluorescence. Furthermore, the existence of other metal actions made no difference on the fluorescence intensity of the MPMC-Cu2+ system apparently, that is, MPMC displayed a good anti-interference ability. Job’s plot of MPMC and copper ions indicated the detection limit was 15.16 nM (R2=0.9612) for the assayed actions, with a stoichiometric ratio of 1:1 for MPMC and Cu2+. Additionally, the color of MPMC probe solution changed from nearly colorless to yellow in the presence of Cu2+ in visible light, which the color change could be observed by the naked eye. Similarly, the color resolved bright yellow into blue in ultraviolet light. Also reusability studies indicated that MPMC probe was reusable. The pH effect of probe MPMC to Cu2+ had a broad range of pH detection 4.0 to 11.0. The response time of MPMC probe for determining Cu2+ was within 1 min. The recognition of Cu2+ by MPMC performed on pre-treated paper under sunlight and UV light both had a distinct colour change. Thus, the solid-state method for detecting Cu2+ with the naked-eye, was both economical and convenient.

Generally, mineral fillers are added to thermoplastic polymers to reduce cost and improve performance. However, properly selected mineral fillers can also improve thermal conductivity and deformation behavior, shrinkage, impact strength, dimensional stability, and molding cycle time in thermoset polymers. This study focused on the preparation and microscopic and spectroscopic characterization of various hybrid composites using pumice as primary filler and gypsum, kaolin and hollow glass sphere as secondary fillers, as well as examining some of their mechanical properties and thermal conductivities. For this, first of all, surface modification of the clay was carried out by intercalation method from solution using raw Montmorillonite, cationic surfactant and long chain hydrocarbon material, and then organo-clay melamine formaldehyde nanocomposite was prepared by in situ synthesis using organo clay and melamine formaldehyde pre-polymer. Finally, non-ionic surfactant, foaming agent and glycerin were added to the prepared nano-composite at approximately 90°C, mixed mechanically and then pumice was added. The processes at this stage were repeated while preparing hybrid composites with pumice and other mineral additives. For curing and molding, the composite was first subjected to microwave irradiation for 5 minutes followed by thermal treatment at 140°C for 60 min. Fourier transform infrared spectroscopy (FTIR), X-ray powder diffraction (XRD) spectra and Scanning electron microscope (SEM) and High resolution transmission electron microscope (HRTEM) images were taken for morphological and textural characterization for raw clay (MMT), organo clay (OMMT) and pure polymer with prepared hybrid composites. In addition, some mechanical properties such as bending strength, elasticity modulus and screw holding resistance, as well as thermal conductivity coefficients of the hybrid composites were determined according to the relevant standards and the obtained results were evaluated. Spectroscopic and microscopic analyzes have shown that effective adhesion interactions occur between polymer-clay nanocomposite particles and filler grains, thus resulting in textural arrangements with different properties. Mechanical and thermal conductivity test results showed that melamine formaldehyde-organo-clay nano composite foam and hybrid composite containing hollow glass sphere are highly qualified materials in terms of thermal insulation and mechanical strength.

In this study, the potential of Fe3Al coating material as an environmentally friendly alternative to coatings containing critical elements for brake discs was investigated. A buffer layer of Cr-Mo steel (Ferro 55) was applied to enhance coating quality and prevent the formation of hot cracks during solidification. Microstructural analysis of the cross-section of the coating showed that the buffer layer diffused into the Fe3Al coating, forming a combination of Fe3Al, Fe, and Fe3AlC0.5 phases. The tribological properties of the Fe3Al coating were evaluated by pin-on-disc tests using two different copper-free friction materials extracted from commercial brake pads. The wear results showed a coefficient of friction comparable to that of an uncoated disc, but with a reduction in Particulate Matter (PM) emissions, an interesting aspect that is gaining increasing importance in view of the upcoming international standards..

Grape pomace is one of the main by-products in the wine industry and contains some high added-value compounds such as polysaccharides. Considering the wide application possibilities of polysaccharides in wine and in the food industry, the revalorization of grape pomace to extract polysaccharides presents itself as an opportunity for by-product management. Therefore, the aim of this study was to characterize polysaccharide extracts obtained from pomace by-products of different white grape varieties. The type and content of polysaccharides, proteins and phenols were analyzed. Statistically significant differences were found between the varietal extracts in the types and concentrations of polysaccharides. The extracts obtained from the Verdejo and Puesta en Cruz varieties showed the highest polysaccharide purity and contents, but the type of polysaccharides was different in each case. The Verdejo provided extracts richer in non pectic polysaccharides, while the Puesta en Cruz in pectic polysaccharides. Protein and polyphenol contents were low in all extracts, below 2.5% and 3.7%, respectively. These results open up a new possibility for the revalorization of grape pomace by-products to obtain polysaccharide-rich extracts, although it would be interesting to improve both the yield and the purity of the extracts obtained by studying other extraction techniques or processes.

Pyrolysis is a thermochemical conversion process designed for biomass decomposition in an oxygen-free environment. It typically operates within a temperature window of 200 to 800°C and generates various byproducts, including gases, liquid fractions (both aqueous and organic) such as bio-oil, and solids like char. Bio-oil is a significant product of pyrolysis. It is characterised by a complex blend of organic compounds. The acidic nature of bio-oil primarily originates from volatile acids, such as acetic acid. The recovery of acetic acid from bio-oil facilitates the use of the extracted substance as a precious resource, hence enhancing its significance in the framework of a circular bioeconomy. Acetic acid finds widespread application in manufacturing commercially important chemicals like vinyl acetate monomers and formulating phytosanitary products due to its inherent herbicidal and antifungal properties. However, to be used, acetic acid has to be separate from the raw bio-oil. Separation methodologies, including nanofiltration and reverse osmosis, demonstrate potential in recovering acidic constituents from bio-oil due to their high selectivity and effective system management. This article offers a concise review about acetic production from lignocellulosic biomass from pyrolysis and its recovery through various membrane separation processes.

Hydrogen energy is regarded as an auspicious future substitute to replace fossil fuels, because of its environmentally friendly characteristics and high energy density. In the pursuit of clean hydrogen production, there has been a significant focus on the advancement of effective electrocatalysts for the process of water splitting. Although noble metals like Pt, Ru, Pd and Ir are superb electrocatalysts for the hydrogen evolution reaction (HER), they have limitations for large-scale applications, mainly high cost and low abundance. As a result, non-precious transition metals have emerged as promising candidates to replace their more expensive counterparts in various applications. This review focuses on recently developed transition metal phosphides (TMPs) electrocatalysts for the HER in alkaline media due to the cooperative effect between the phosphorus and transition metals. Finally, we discuss the challenges of TMPs for HER.

The article deals with the issues of structural stability, electronic properties and phonon dispersion of the cubic, tetragonal and monoclinic phase of ZrO₂. The monoclinic phase of ZrO₂ is found to be the most stable among all the phases of this compound, in terms of total energy comparison, the lowest enthalpy value, the highest entropy and the lowest negative modes found for m-ZrO₂. An analysis of the electronic properties showed that during the m-t phase transformation of ZrO₂, the Fermi level first shifts by 0.125 eV towards higher energies, and then, in the t-c section, goes down by 0.08 eV. In this case, the band gaps for c-ZrO₂, t-ZrO₂, and m-ZrO₂ are 5.140 eV, 5.898 eV, and 5.288 eV, respectively. Calculations based on the analysis of the effect of doping with 3.23, 6.67, 10.35, and 16.15 mol. % Y₂O₃ on the m-ZrO₂ structure showed that the m-YSZ enthalpy decreases linearly, which accompanies doped-induced phase transitions and further stabilization of monoclinic ZrO₂. In this case, the position of the Fermi level changes stepwise, and the energy gap decreases. It has been found that not only for pure systems, including for Y₂O₃-doped systems, the p-states of electrons make the main contributions to the formation of the conduction band. The obtained results complement the database of research works carried out in the field of application of biocompatible zirconium dioxide crystals and ceramics for green energy generation and can be used in the design of humidity-to-electricity converters and the creation of solid oxide fuel cells based on ZrO₂.

The hydrogen evolution reaction (HER) has garnered attention to access sustainable energy generation with a pollutant-free combustion product in the form of H2 gas. Despite the utility of this pathway in the context of growing climate concerns, stable HER electrocatalysts which avoid the use of rare-earth platinum while retaining high catalytic performance and efficiency remains a challenge. In this work, we present the application of a binuclear nickel (II/III) Schiff base complex [Ni]2[L]2 2 for HER electrocatalysis. The design of the electrocatalyst provides optimal HER activity as the presence of electronegative heteroatoms in proximity to the metal centers augments proton affinity. As a result, the catalyst displays excellent HER activity with 100% faradaic efficiency (FE) at an onset potential of 0.4 V vs. reverse hydrogen electrode (RHE), sustained catalytic activity during prolonged electrolysis for greater than 17 hours, and provided a turn over number (TON) of 0.0006 s-1.

Various methods including electrochemical purification, chemical precipitation, solvent extraction, and ion-exchange resins, have maturely been used for removal of copper from nickel anolyte. Interestingly, these approaches of copper removal from nickel anolyte by precipitation are well used as the primary industrial method in nickel production again. However, these methods suffer from several severe drawbacks in industrial practices. One is that a small amount of nickel precipitates with copper in slags，resulting in slag treatment difficulties. Second, this process requires an extremely high activity of the sulfide-based copper removal agents which results in high production costs; the short storage period of the copper removal agent is another drawback of this method. These have been the key challenges in the smelting process of nickel. Herein, we present a comprehensive review of the nickel removal methods used for nickel anolyte purification, electrochemical purification, chemical precipitation, solvent extraction, and ionexchange resins. The advantages and feasibilities of each technique in industrial applications are also explored and analyzed. Finally, we demonstrate that ion-exchange resin-based extraction method can pave a new path for metallurgical research on nickel.

Hydrothermal carbonization of cellulose was examined at 240 ℃ for 1 h. Ammonium sulfate and thiourea were selected as the doping sources of inorganic nitrogen and organic nitrogen for the preparation of supercapacitor carbon. The effect of boric acid on the properties of the resulting hydrochar after KOH activation was examined. The results showed that the proportion of functional groups and the specific surface area of the activated hydrochar would be reduced after the addition of boric acid, and the pore-forming process of the micropores would be inhibited. The hydrochar obtained from the reaction of cellulose and organic nitrogen compounds had better pore size distribution and electrochemical properties after activation. The largest specific surface area (952.27 m2 g-1) was obtained when only thiourea was used as the only doping source. In the three-electrode system, the specific capacitance resulting activated hydrochar reached 236.25 F g-1 at a current density of 1 A g-1. After 20,000 cycles of charging and discharging at a current density of 10 A g-1, the capacitance retention rate reached 99.96%. Therefore, this study proves that the supercapacitor carbon with good electrochemical properties could be obtained by the direct reaction of cellulose with organic nitrogen compounds.

We have particularly investigated the correlation law of the effect of different carbon black fillings on the hyper-elastic mechanical behavior of natural rubber by conducting uniaxial tensile tests over a wide range of deformations with different volume fractions of carbon black fillings (0%, 4.7%, 8.9%, 12.8%, 16.4%, 19.7%, 22.7%, 25.2%). The results show that the stress-strain curve for carbon black filled rubber increases with the amount of filling, meaning that the rubber gradually becomes "harder". We explore the correlation between the carbon black filling volume and the parameters of the Yeoh constitutive model by examining the Yeoh constitutive model to characterize the hyper-elastic mechanical behavior of rubber with different carbon black fillings. A quantitative relationship between the material parameters and the carbon black filling volume in the Yeoh constitutive model is presented. A method for calculating the material parameters of the Yeoh constitutive model is developed and it predicts the correlation between the hyper-elastic properties of rubber and the volume fraction of carbon black filling.

According to ISO/TR 23383, smart textiles reversibly interact with their environment and respond or adapt to changes in the environment. The present review and bibliometric analysis was performed on 5,810 documents (1989–2022) from the Scopus database, using VOSviewer and Bibliometrix/Biblioshiny for science mapping. The results show that the field of smart textiles is highly interdisciplinary and dynamic, with an average growth rate of 22% and exponential growth in the last 10 years. Beeby, S.P., and Torah, R.N. have published the highest number of papers, while Wang, Z.L. has the highest number of citations. The leading journals are Sensors, ACS Applied Materials and Interfaces, and Textile Research Journal, while Advanced Materials has the highest number of citations. China is the country with the most publications and the most extensive cooperative relationships with other countries. Research on smart textiles is largely concerned with new materials and technologies, particularly in relation to electronic textiles. Recent research focuses on energy generation (triboelectric nanogenerators, thermoelectrics, Joule heating), conductive materials (MXenes, liquid metal, silver nanoparticles), sensors (strain sensors, self-powered sensors, gait analysis), specialty products (artificial muscles, soft robotics, EMI shielding), and advanced properties of smart textiles (self-powered, self-cleaning, washable, sustainable smart textiles).

The aim of this study was to evaluate the emulsification properties of garlic water-soluble compounds (GWSC) after heat treatment (10 min at 95 °C) or pH adjustments (2.5, 3.5 and 7.8). After the various treatments, the extracts were used as such or filtrated (0.45 µm) and 10% soybean oil-in-water emulsions were prepared using low (0.48%) or high (6.55% wt/wt) extract concentrations. Whereas at low GWSC concentration, both heating or acidifying resulted in the formation of bigger oil droplet sizes (i.e. from d32=0.36 µm using unmodified extract, to d32=7–22 µm µm at pH 2.5 with or without extract filtration), the effects were opposite at the highest GWSC concentration. In the latter, heat treatment clearly reduced the droplet size as observed from the micrographs as well as the degree of creaming, though the occurrence of depletion and/or bridging flocculation was still strong. The acidification of the extract at this high GWSC concentration, significantly reduced the droplet size as observed from the micrographs but a strong flocculation was observed. Removal of protein aggregates, and possibly also saponin micelles from the extract, resulted in an obvious increase in emulsion droplet size. This research brings valuable insights on the study and utilisation of novel natural food emulsifiers from plant sources.

Given the broad and intense use of plastic, society is being increasingly affected by its degradation and by-products, particularly by microplastics (MPs) -fragments smaller than 5 mm in size-, and nanoplastics (NPs) -with sizes less than 1 µm. MPs and NPs may enter the body primarily through inhalation, consumption, and skin contact. Once ingested, MPs can penetrate tissues, deviating to other parts of the body, and hence potentially affecting important cellular pathways such as nonconforming chemokine receptors that control the communication between the fetus and the mother. Consequently, the potential health harm induced by MP internalization is a major issue, evidenced by multiple studies demonstrating harmful consequences in diverse animal models and human cells. Here, an overview of the various modes of exposure to MPs and NPs is presented, including inhalation, placental transfer, ingestion, breastmilk consumption, and skin absorption, as well as placental and fetal toxicity due to plastic particles based on animal and in vitro studies. Though MPs in our environment are becoming more recognized, their developmental toxicity is still scarcely known. Besides negatively affecting pregnancy, MPs and NPs have been shown to potentially harm the developing fetus, given their ability to cross the placental barrier. Still, considerable gaps remain in our understanding of the dispersion and toxicity of these particles in the environment, as well as the precise types of NPs and MPs bearing the greatest dangers. As a result, we advocate for larger-scale epidemiological investigations, the development of novel approaches for measuring NP and MP exposures, and the necessity of understanding the toxicity of various kinds of NPs to guide future research efforts.

Cyclodextrin (CD) is made up of 7 glucose molecules linked in a ring, creating a cone shape. Its interior can house hydrophobic molecules while the exterior is hydrophilic enough to interact with water molecules. Until now, this feature has been used for the development of active and intelligent packaging applied to food, interacting with the product or its environment to improve one or more aspects of its quality or safety. As well, it is used to provide information on monitoring the time in which food is optimal for consumption, an aspect considered very important for the consumer and for the merchant. A known problem with some of these types of packaging is that the bioactive compounds that are housed in the CD can interact with food and can modify its taste, smell, color and/or texture. Therefore, this review will focus on discerning which packaging is most appropriate for each situation.

Our concern was to obtain a biocomposite material with improved properties of the constituent materials (poly(lactic- co-glycolic acid) (PLGA) and zinc–boron (Zn–B) complex) in accordance with the novelties in the field of delivery systems for therapeutic agents which lately redefine the importance of biopolymer nanocomposites with PLGA (biodegradable composites). The advantages of such a biomaterial target the health system, being easy to obtain, through a cost-effective method. The water/oil/water double emulsion method also allows the adjustment of the synthesis parameters, to maximize the degree of Zn–B complex encapsulation. The morphological aspects of the samples (size, shape, porosity) were established by scanning electron microscopy (SEM). Particle size distribution (by volume and by number) was determined by direct light scattering (DLS). For all the synthesized materials, the observed morphology was typical for PLGA, spherical one. The particle size distribution showed that depending on the synthesis conditions, the particles can be obtained with diameters between 10–450 nm range and the value of the zeta potential (ZP) shows that the particles have electronegative surface charge, which offers a favorable perspective on the phenomena of aggregation, flocculation, dispersion. It was observed, applying the design of experiments (DoE), that the size of the particles increased with increasing amounts of PLGA and polyvinyl alcohol (PVA) in the formulation, while ZP increased with higher PLGA and smaller PVA. The encapsulation efficiency was determined by ultra-high performance liquid chromatography/mass spectrometry (UHPLC/MS).

Understanding the infiltration and solidification processes of liquid 5083Al alloy into Al2O3 three-dimensional reticulated porous ceramic (Al2O3(3D) RPC) is essential for optimizing the microstructure and properties of Al2O3(3D)/5083Al interpenetrating phase composites (IPCs) prepared by low-pressure infiltration process (LPIP). This study employs ProCAST software to simulate the infiltration and solidification processes of liquid 5083Al with pouring velocities (PV) of 0.4 m/s infiltrating into Al2O3(3D) RPC preforms with varying porosities at different pouring temperatures (PT) to prepare Al2O3(3D)/5083Al IPCs using LPIP. The results demonstrate that pore diameter of Al2O3(3D) RPC preforms and PT of liquid 5083Al significantly influence the of the infiltration. Solidification process analysis reveals that the Al2O3(3D) RPC preform with smaller pore diameters allows the lower pouring velocity of 5083Al to solidify faster compared to the preform with larger pore diameters. Al2O3(3D)/5083Al IPCs were prepared successfully from Al2O3(3D) RPC porosity of 15 PPI with liquid 5083Al at PV 0.4 m/s and PT 800 °C using LPIP, resulting in nearly fully dense composites, where both Al2O3(3D) RPCs and 5083Al interpenetrate throughout the microstructure. The infiltration and solidification defects were reduced under air pressure of 0.3 MPa (corresponding to PV of 0.4 m/s) during LPIP. Finite volume method simulations are in good agreement with experimental data, validating the suitability of the simplified model for Al2O3(3D) RPCs in the infiltration simulation.

There is a misconception about using the terms photon and electron. When the electron of the outer ring in the silicon atom executes interstate dynamics for only one cycle, it generates force and energy for the unit photon. The unit photon has a shape like Gaussian distribution in turned ends. When the photon of suitable length interacts with the side of the laterally orientated electron of a semisolid or solid atom, it converts into heat. Under the approximate angle of 90º, when a photon interacts with the tip of a laterally orientated electron, it divides into bits of energy having a shape like integral symbols. Solid or semisolid element atoms can reveal the phenomena of heat energy if their electrons deal with interactions of photons. In the neutral state silicon atom, the center acts as the reference point for electrons executing interstate dynamics, and the north-south tips of the electrons remain along the north-south poles. The energy shapes around the force tracing along the trajectory of electron dynamics. Under dynamics, two forces exert on the electron for one time, whereas two forces shape from opposite sides. In interstate dynamics, the electron of the outer ring first reaches the maximum limit point, where the one-bit energy shapes. In the remaining half cycle, that electron again shapes one-bit energy. When there is an uninterrupted supply of heat energy to the silicon atom, electron dynamics generate the photon having a shape-like wave. Path-independent but interstate-dependent forces take over the control of an electron. That electron executes dynamics nearly at the speed of light. In dynamics, the conservative forces exert on the position-acquiring electron. A photon can be in unending length if the electron dynamics remain uninterrupted. The changing aspect of the electron recalls the auxiliary moment of inertia at each point of turning. Atoms of suitable elements generate differently shaped photons when executing dynamics for the outer ring electrons. Thus, they can also reveal the phenomenon of photon energy.

As formally is known, nanozymes are the nanomaterials or nanoscale materials which reveal enzyme-like properties. These nanomaterilas can be utilzied instead of the natural enzymes for simulation of enzymatic reactions in harsh environmental conditions. Among different nanoscale enzyme-like materials, the majority of them reveal peroxidase-like activity, due to the high catalytic efficiency and stability of peroxidase-like nanozymes, they had been widely utilized for sensing and detection via constructing the colorimetric and fluorescence-based analytical and bioanalytical sensors. There are several high impact nanozymatic sensors which reported in the literature. Although the review articles published in this field, however, the current reviews focus on the introducing nanozyme field not description on the best articles published in this filed. Hence, this article aimed to present a brief introduction on the nanozyme-based chemistry with emphasizing on the historical overview of recent nanozymatic sensors. In this regard the best nanozymatic sensors which published over 2016-2023 were briefly described and overviewed.

Pt-coated Ni layer supported on Ni foam catalyst (denoted PtNi/Nifoam) was investigated for the oxidation of the formic acid (FAO) in acidic media. The prepared PtNi/Ni foam catalyst was studied as a function of the formic acid (FA) concentration at bare Pt and PtNi/Nifoam catalysts. The catalytic activity of the PtNi/Nifoam catalysts, studied on the basis of the ratio of the direct and indirect current peaks (jd)/(jnd) for the FAO reaction, showed values about 10 times higher compared to those on bare Pt, particularly at a low formic acid concentrations, reflecting the superiority of the former catalysts for the oxidation of FA to CO2. Ni foams provide a large surface area for the FOR while synergistic effects between Pt nanoparticles and Ni-oxy species layer on Ni foams contribute significantly to the enhanced oxidation of FA via the direct pathway, making it almost equal to the indirect pathway, particularly at low formic acid concentrations.

A new copper(I) complex, [Cu2(L)2dppm](PF6)2 (1) [L = 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine and dppm: Bis(diphenylphosphino)methane] was prepared and characterized by IR, 1H-NMR, 31P-NMR spectroscopy, elemental and thermogravimetric analysis, and single-crystal X-ray diffraction technique. Complex 1 is a dinuclear compound, showing that L and dppm act as tridentate and bidentate chelating ligands, respectively. The two Cu(I) atoms exhibit a distorted tetrahedral coordination sphere embedded in N3P environments. The supramolecular interactions in the solid-state structure are characterized by C−H···N, C−H···F, C-H···π and π···π intermolecular interactions that were analyzed by inspection of the Hirshfeld surface and fingerprint plots. Additionally, the complex was studied experimentally in solution by UV–Vis spectroscopy and cyclic voltammetry; also, theoretical studies with Time-Dependent Density Functional Theory (TD-DFT) were performed. Moreover, the optical and electrochemical properties have been studied, focusing on the band gap. Compound 1 has been used as a co-sensitizer in a dye-sensitized solar cell, showing good activity.

The protein TRPM8, a non-selective, calcium (Ca2+) permeable ion channel is implicated in several pathological conditions, including neuropathic pain states. In our previous research endeavors, we have identified β–lactam derivatives with high hydrophobic character that exhibit potent and selective TRPM8 antagonist activity. This work describes the synthesis of novel derivatives featuring C-terminal amides and diversely substituted N’-terminal monobenzyl groups, in an attempt to increase the total polar surface area (TPSA) in this family of compounds. The primary goal was to assess the influence of these substituents on the inhibition of menthol-induced cellular Ca2+ entry, thereby establishing critical structure-activity relationships. While the substitution of the tert-butyl ester by isobutyl amide moieties improved the antagonist activity, none of the N’-monobencyl derivatives, regardless of the substituent on the phenyl ring, achieved the activity of the model dibenzyl compound. The antagonist potency of the most effective compounds was subsequently verified using Patch-Clamp electrophysiology experiments. Furthermore, we evaluated the selectivity of one of these compounds against other members of the TRP ion channel family and some receptors connected to peripheral pain pathways. This compound demonstrated specificity for TRPM8 channels. To better comprehend the potential mode of interaction, we conducted docking experiments to uncover plausible binding sites on the functionally active tetrameric protein, which come upon four main poses by the pore zone, differents from those described for other known antagonists. Finally, in vivo experiments, involving a couple of selected compounds, revealed significant antinociceptive activity within a mice model of cold allodynia induced by oxaliplatin.

Modification of Scots pine sapwood (Pinus sylvestris L.) with heterocyclic compounds, imidazole and succinimide, was investigated. Pressure-impregnation with aqueous solutions containing imidazole, imidazole + citric acid, succinimide, succinimide + citric acid, and citric acid + sorbitol (CIOL®) at 5%, 10%, and 15% solid content was followed by oven-curing at 220 °C for 1 hour. Mass changes during treatment steps, bending properties, and anti-swelling efficiency (ASE) were examined. Results indicate that solid concentrations within the range of 5% to 10% were optimal. Results seem to show there are two differing mechanisms in the modification of imidazole and succinimide, respectively. Mass loss due to the heat treatment was highest in imidazole-treated specimens, whereas it remained low and concentration-independent in succinimide-treated specimens. ASE after three cycles reached 31% for imidazole-treated specimens and improved to 38% with the addition of citric acid. For succinimide, ASE increased from 17% to 41%. Bending properties generally showed improvement, except for succinimide + citric acid and CIOL®, which displayed a reduced modulus of rupture. Chemical analyses are warranted to fully understand the reaction mechanisms of the treatments. Imidazole treatment's positive effects are suggested to stem from a thermal reaction between the chemical and wood, indicated by substantial mass loss during leaching and specimen darkening. Succinimide and citric acid might exhibit polymerization with each other and wood components, akin to the CIOL® process. Further research should delve into reaction mechanisms and the impact of imidazole and succinimide on biological durability.

Oxidized sucrose (OS) reacts with amino group-containing polysaccharides, including chitosan, without catalyst, resulting in hydrogels entirely composed of carbohydrates. The presence of imine bonds with low structural stabilities and unreacted aldehydes in the structures of these hydrogels hinder their application as biomaterials. Therefore, herein, the chitosan hydrogels (CTSGs) obtained after the crosslinking of chitosan with OS were reduced using sodium borohydride to convert imine bonds to secondary amines and aldehydes to alcohols. Structures of CTSGs were comprehensively characterized by Fourier transform infrared and 13C nuclear magnetic resonance spectroscopies, and results implied that the degree of crosslinking (CR) depended on the OS feed amount used during CTSG preparation. Properties of CTSGs were significantly dependent on CR; with an increase in CR, thermal stabilities and dynamic moduli of CTSGs increased, whereas their swelling properties decreased. CTSGs exhibited antimicrobial properties against the gram-negative bacterium Escherichia coli, and their performances were also dependent on CR. Results indicated the potentials of CTSGs completely based on carbohydrates as antimicrobial hydrogels for various medical and pharmaceutical applications. We believe that this study will contribute to the development of hydrogels for application in the food, medical, and pharmaceutical fields.

Engine oil degradation and tribological properties are strongly interrelated. Hence, understanding the chemical processes resulting in additive depletion and degradation products is necessary. In this study, in-service engine oils from petrol and diesel vehicles were analyzed with conventional and advanced methods (mass spectrometry). Additionally, the effect of the utilization profile (short- vs. long-range) was studied. Petrol engine oils generally showed accelerated antioxidant and antiwear degradation and higher oxidation, especially in case of a short-range utilization profile, which can be attributed to the higher air-to-fuel ratio (more rich combustion) compared to diesel engines. A detailed overview of oxidation and nitration products, as well as degradation products resulting from zinc dialkyl dithiophosphate and boron ester antiwear additives, diphenylamine antioxidants and salicylate detergents is given. A side-reaction between oxidation products (aromatic carboxylic acids) and the boron ester antiwear is highlighted. This reaction was only detected in the petrol engine oils, where the oxidation products were measured in a high abundance. However, no side reaction was found in the samples from the diesel vehicle, since there the aromatic carboxylic acids were largely absent due to lower oxidation.

Over the past two decades, covalent organic frameworks (COFs) have become the most widely studied porous crystalline materials. Its specific physical and chemical properties are determined by the arrangement of atoms (crystal structure). Therefore, the determination of its structure is arguably the most important characterization step for COFs. Although single crystal X-ray diffraction (SCXRD) is the most widely used method for structure determination, the size of COF crystals is too small, or their crystal quality is so poor that confirmation of their structure is limited to lattice fringes by transmission electron microscopy (TEM). At present, many 2D-COFs have clear PXRD patterns, but not all 2D-COFs can obtain specific lattice fringes. This severely hinders the development of the COF field. Here, we discover the lattice shrinkage behavior of COFs under electron beam irradiation by comparing the lattice fringes of 2D-COFs under different conditions. By comparing the lattice fringes of TAPT-TFPT COF at room temperature and under liquid nitrogen freezing conditions, we found that the lattice fringes are in good agreement with the Powder X-ray diffraction (PXRD) and theoretical values of COF (2.213 nm) under freezing conditions, however, the lattice fringe spacing is only 1.656 nm at room temperature. The discovery not only provides new insights into the TEM characterization of COFs, but also further expands the range of crystalline COF materials.

The synthesis, anticancer and antioxidant activity of a series of indole-derived hybrid chalcones are reported here. First, using well known Claisen-Schmidt condensation method a set of 29 chalcones has been designed, synthesized, and consequently characterized. Subsequently, screening for the antiproliferative activity of the synthesized hybrid chalcones was performed on the on five cancer (HCT116, HeLa, Jurkat, MDA-MB-231 and MCF7) and two non-cancer (MCF-10A and Bj-5ta) cell lines. Chalcone 18c bearing 1-methoxyindole and catechol structural features, exhibited selective activity against cancer cell lines with IC50 values of 8.0 ± 1.4 µM (Jurkat) and 18.2 ± 2.9 µM (HCT116) and showed no toxicity to non-cancer cells. Furthermore, antioxidant activity was evaluated using tree different methods. The in vitro studies of radical scavenging activity utilizing DPPH radicals, as well as FRAP method, demonstrated the strong activity of catechol derivatives 18a-c. According to the ABTS radical scavenging assay, the 3-methoxy-4-hydroxy substituted chalcones 19a–c were slightly more favorable. In general, a series of 3,4-dihydroxychalcone derivatives showed properties as a lead compound for both antioxidant and anticancer activity.

SiOx films, frequently derived from amino silane precursors, have found several applications with high added value. Although frequently used, the deposition of coatings from Tris(dimethyl amino)silane (TDMAS) has been reported to demand considerable amounts of energy, mainly due to the difficulty of oxidizing such compound. As it is well known, Plasma-enhanced atomic layer deposition (PEALD) is able to improve the oxidation efficiency even under low process temperatures. Owing to that, PEALD can be considered as a very promising technique for the deposition of SiOx coatings. In this work, it has been investigated the deposition of silicon oxide films using TDMAS at 150°C. It has been evaluated the effect of the plasma oxidation time (6 to 18 s) and of the atmosphere composition (pure O2 or O2+Ar) on the chemical structure, elemental composition and chemical bonding state of the films. Increasing the plasma oxidation time in pure O2 resulted in larger proportion of retained C (Si-CH3) whereas N was preserved in the structure (Si-N). on the other hand, the formation of SiOx films from TDMAS is favored in shorter oxidation times in O2 + Ar plasmas.

Addressing global environmental problem, water splitting to produce hydrogen fuel by solar energy is getting so much attention. In the water splitting, the essential problem to solve is the development of efficient　catalysts for oxygen production. In this paper, having the prospect for a practical application of photocatalysts to artificial photosynthesis, molecular mechanisms in the current literature are briefly reviewed. At first, recent progress in the function of Mn cluster at the natural photosystem II is briefly described. The kinds of devices in which oxygen evolution reaction (OER) catalysts are used were designated; water electrolyzers, photoelectrodes, and photocatalysts. Some methods for analyzing molecular mechanism in OER catalysis, emphasized by FTIR method, are shown briefly. After describing common OER mechanisms, the molecular mechanisms are discussed for TiO2 and BiVO4 photoelectrodes with our novel data, followed by presenting of co-catalysts IrO2, RuO2, NiO2, and other metal oxides for OER catalysts. Recent reports describing OER catalysts of perovskites, layered double hydroxides (LDH), metal-organic frameworks (MOF), single atom catalysts, as well as metal complexes are reviewed. Finally, by comparing with natural photosystem, the requiring factors to improve the activity of the catalysts for artificial photosynthesis will be discussed.

Molecules sourced from marine environments hold immense promise for the development of novel therapeutic drugs, owing to their distinctive chemical compositions and valuable medicinal attributes. Notably, Talarolide A and Talaropeptides A-D have gained recent attention as potential candidates for pharmaceutical applications. This study aims to explore the chemical reactivity of Talarolide A and Talaropeptides A-D through the application of molecular modeling and computational chemistry techniques, specifically employing Conceptual Density Functional Theory (CDFT). By investigating their chemical behaviors, the study seeks to contribute to the understanding of the potential pharmacological uses of these marine-derived compounds. The investigation involves the utilization of molecular modeling and computational chemistry tools, with a specific focus on Conceptual DFT. These techniques are applied to examine the chemical reactivity of Talarolide A and Talaropeptides A-D, shedding light on their potential for interacting with various biological targets. The research reveals insights into the chemical reactivity of Talarolide A and Talaropeptides A-D, uncovering active reaction sites and potential biological targets. Talarolide A demonstrates robust anti-inflammatory properties and antitumor activity against diverse cancer cell lines, while Talaropeptide A displays antimicrobial efficacy against both bacteria and fungi. The study underscores the significance of comprehending the chemical reactivity of natural marine products for advancing pharmaceutical development. By employing computational tools such as Conceptual DFT, this research uncovers crucial information about the active sites and potential targets of Talarolide A and Talaropeptides A-D. The findings contribute to the broader understanding of marine-derived peptides and their prospects as pharmaceutical agents, though further investigations are necessary to fully elucidate their pharmacological attributes.

For the first time, an environmentally friendly waste-free closed cycle for the formation of EMI shielding materials that are promising for 5G communications is considered. Based on the proposed closed technological cycle, two types of EMI shielding materials have been obtained; both materials have significant prospects for signal shielding in all ranges that are allocated in different countries for 5G communication. The first type of materials are transparent conductive meshes with a transparency of more than 80% and with a shielding efficiency of more than 40 dB in the S and L bands and about 30 dB in the K and Ka bands. The study of signal reflection characteristics in the S, L, C, K and Ka bands showed the promise of using these materials as transparent 5G signal reflectors. The reflection coefficient in all considered ranges is above 90% (-0.5 dB). The second type of shielding material are continuous silver micro caps films characterized by a shielding efficiency of 90.1 dB at a thickness of 6.2±1.2 µm. We have also shown that silver micro caps can separate into silver flakes and ribbons when sonicated. These materials can also be used to produce EMI shielding coatings and composites. A detailed analysis of the shielding properties showed that each type of materials obtained in a closed technological cycle is comparable with the best literature results and significantly wins in terms of cost.

Considering higher stability and lower cost of nanozymes than native enzymes, the nanozymatic systems had been utilized for several practical application, especially for sensing and detection. Most of common nanozymatic sensors are single-nanozyme based systems, however, recently a new generation of nanozyme-based systems called “multinanozyme system’ was introduced by Hormozi Jangi et al. (2020). Since the first report of multinanozyme systems, several multinaozyme systems have been developed and utilized for highly sensitive and selective sensing aims. The main advantages of multinaozyme systems compared of common nanozymatic sensors are their impact on simultaneous enhancing selectivity and sensitivity of sensor in a well-designed detection process. Since, the principles of design and detection mechanism of this new generation is not well-described in the literature, the aim of this article is the fast review of the principles of design of this new generation of nanozyme-based sensing and detection.

Polyethylene terephthalate (PET) pollution poses significant environmental consequences, and thus new degradation methods must be explored to mitigate this problem. We previously demonstrated that a consortium of three Pseudomonas and two Bacillus species can synergistically degrade PET in culture. The consortium more readily consumes Bis(2-Hydroxyethyl) terephthalate (BHET), a byproduct made in PET depolymerization, compared to PET, and can fully convert BHET into metabolically usable monomers terephthalic acid (TPA) and ethylene glycol (EG). Because of its crystalline structure, the main limitation of the biodegradation of post-consumer PET is the initial transesterification from PET to BHET, depicting the need for the transesterification step in the degradation process. Additionally, there have been numerous studies done on the depolymerization reaction of PET to BHET, yet few have tested the biocompatibility of that product with a bacterial consortium. In this report, a two-step process was implemented for sustainable PET biodegradation, where PET is first depolymerized to form BHET using an Orange Peel Ash (OPA) catalyzed glycolysis reaction, followed by complete degradation of the BHET glycolysis product by the bacterial consortium. Results show that OPA-catalyzed glycolysis reactions can fully depolymerize PET, with an average BHET yield of 92% (w/w) and that the reaction product is biocompatible with the bacterial consortium. After inoculation with the consortium, 19% degradation of the glycolysis product was observed in 2 weeks, for a total degradation percentage of 17% when taking both steps into account. Furthermore, the 10-week total BHET degradation rate was 35%, demonstrating that the glycolysis products are biocompatible with the consortium for longer periods of time, for a total two-step degradation rate of 33% over 10 weeks. While we predict complete degradation is achievable using this method, further experimentation with the consortium can allow for a circular recycling process, where TPA can be recovered from culture media and reused to create new materials.

In the present study, linear novel polymer poly(1-(2-((3-amino-2-hydroxypropyl)amino)ethyl)-1'-ethyl-[4,4'-bipyridine]-1,1'-di-ium) (poly(AHAEBD)) and its complex with iron (ΙΙΙ) ([Fe(poly(AHAEBD)2].Na3) were synthesized and then their anticancer effects on A375 human malignant melanoma cells line were evaluated. The structure of the synthesized compounds was confirmed using Fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance spectroscopy (1HNMR), field emission scanning electron microscopy (FE-SEM), X-ray energy diffraction analysis (EDS) and gel permeation chromatography (GPC). Also, the cytotoxicity of cisplatin as a reference, on A375 melanoma cell line was tested. The IC50 of polymer-complex [Fe(poly(AHAEBD)2].Na3 (0.71 µg/mL), cisplatin (4.58 µg/mL) and poly(AHAEBD) (1.73 µg/mL) were obtained. Our results revealed that the polymer-complex [Fe(poly(AHAEBD)2].Na3 exhibited better performance compared to cisplatin. Furthermore, the coordination with iron (III) enhanced the cytotoxicity levels of poly(AHAEBD). According to these findings, the synthesized polymer-complex demonstrates remarkable potential as an anti-cancer agent. This study could provide the basis for future research focused on employing this new polymer-complex for in vivo testing, highlighting its potential for therapeutic applications.

Water electrolysis is a compelling technology for the production of environmentally-friendly hydrogen, minimizing carbon emissions. The electrolysis process of water heavily relies on the effective and steady oxygen evolution reaction (OER) taking place at the anode. Herein, we in-troduce a highly promising catalyst for OER called CoSe2@NiFeOOH arrays, which are supported on a nickel foam. This catalyst, referred to as CoSe2@NiFeOOH/NF, is fabricated through a two-step process involving the selenidation of a Co-based porous metal organic framework and subsequent electrochemical deposition on a nickel foam. The CoSe2@NiFeOOH/NF catalyst demonstrates outstanding activity for the OER in an alkaline electrolyte. It exhibits a low over-potential (η) of 254 mV at 100 mA cm−2, a small Tafel slope of 73 mV dec−1, and excellent high stability. The high performance of CoSe2@NiFeOOH/NF can be attributed to the combination of the high conductivity of the inner layer and the synergistic effect between CoSe2 and NiFeOOH. This study offers an effective method for the fabrication of highly efficient catalysts for the OER.

Carbon fiber reinforced polymers (CFRPs) are being used extensively in modern industries that require high strength-to-weight ratio such as aerospace, automotive, motorsport, and sports equipment. However, although reinforcement with carbon fibers improves the mechanical properties of polymer, this comes on the expense of abrasive wear resistance. Therefore, to efficiently utilize CFRPs in dry sliding contacts, solid lubricant is used as a filler. Further, to facilitate fabrication of objects with complex geometries, selective laser sintering (SLS) can be employed. Accordingly, in the present work, graphite-filled carbon fiber-reinforced polyamide 12 (CFR-PA12) specimens were prepared using SLS process to explore the dry sliding friction and wear characteristics of the composite. The test specimens were aligned along four different orientations in the build chamber of SLS machine to determine the orientation-dependent tribological properties. The experiments were conducted using pin-on-disc tribometer to measure the coefficient of friction (COF), interface temperature, friction-induced noise, and specific wear rate. In addition, scanning electron microscopy (SEM) of tribo-surfaces was conducted to specify the dominant wear pattern. The results indicated that the steady state COF, contact temperature, and wear pattern of graphite-filled CFR-PA12 are orientation-independent, and that the contact temperature is likely to approach an asymptote far below the glass transition temperature of amorphous PA12 zones, thus eliminating the possibility of matrix softening. Additionally, the results showed that the Z-oriented specimen exhibits the lowest level of friction-induced noise along with the highest wear resistance. Moreover, SEM of tribo-surfaces determined that abrasive wear is the dominant wear pattern.

The direct methane to methanol (MTM) oxidation is a grand challenge in catalysis, with profound economical implications for the modern chemical industry. Bioinspired metal-organic frameworks (MOFs) with active iron and copper sites have been emerging very recently as innovative catalytic platforms to accomplish the MTM conversion under mild conditions. This review discusses the current state of the art regarding the application of MOFs with iron and copper catalytic centers to perform the MTM reaction, with a focus on the diverse spectroscopic techniques used to unveil the electronic and structural properties of the MOF catalysts at a microscopic level. We explore the synthetic strategies employed to incorporate iron and copper sites into different MOF topologies, the efficiency and selectivity of the iron- and copper-bearing MOF catalysts, and the ensuing MTM reaction mechanisms proposed on the basis of spectroscopic characterization supported by theory. In particular, we evidence how the combination of complementary spectroscopic tools probing different regions of the electromagnetic spectrum is particularly useful to reach a satisfactory understanding of the key reaction pathways and intermediates. Finally, we provide a critical perspective on future directions to advance the use of MOFs to accomplish the MTM reaction.

Marine soft corals are prolific sources of various natural products that have served as a wealthy reservoir of diverse chemical scaffolds for new drug leads. The genus Litophyton contains almost 100 species but only a small part of them had been classified and chemically investigated, which calls for more attentions from the global researchers. In the current work, 109 secondary metabolites have been discussed based on published data from 1975 to July, 2023, covering a period of near five decades. The studied species of the genus Litophyton inhabited various tropical and temperate regions and afforded a variety of biologically active natural products such as terpenes, steroids, alkaloids, and lipids. A wide spectrum of pharmacological effects of these compounds had been evaluated, including cytotoxic, anti-HIV, antibacterial, antifungal, anti-malarial, antifeedant, molluscicidal, PTP1B inhibitory, and insect growth inhibitory activities. This review aims to provide an up-to-date literature survey and comprehensive insight into chemical structures, taxonomical distributions, and biological activities of the reported metabolites from the title genus whenever available.

The suspension cross-linking technique has been utilized to create the magnetic chitosan nanoparticles, which were then applied to the magnetic carrier method at 80°C. First the FeCl2 and FeCl3 solution co-precipitated and synthesized Fe3O4 for utilization in the formation of magnetic chitosan nanoparticles, it has been characterized by utilizing DLS (Dynamic light scattering), XRD (X-ray diffraction spectrometer), FTIR (Fourier transform infrared spectroscopy), which identified structure, size, FE-SEM (Field Emission Scanning Electron Microscope) and HR-TEM (High-resolution transmission electron microscopy) which identified structure and particle size whereas magnetic behavior of chitosan nanoparticles was determined by VSM (Vibrating sample magnetometer). According to the results collected, the magnetic chitosan nanoparticles have been spherical in form and size ranging from around 250 to 400 nm.

Following on from work already carried out in our laboratory on a new biomass-derived green solvent, eucalyptol, we are now turning our attention to sabinene as a new green solvent. Sabinene is also derived from biomass. We have shown that it can be used as such or distilled to synthesize thiazolo[5,4-b]pyridine heterocycles by thermal or microwave activation. This new solvent was compared with various conventional and green solvents. The conditions were optimized to enable us to carry out the syntheses in good yields, and we were able to show that sabinene, a natural bicyclic monoterpene, could be used effectively as a solvent.

An investigation of pair partial radial distribution functions and molecular pair potentials within a system has established that the existing potential functions are rooted in the assumption of a static arrangement of atoms, overlooking their distribution and vibration. In this study, Hill’s proposed radial distribution function polynomials are applied for the pure gaseous state to a binary liquid alloy system to derive the pair potential energy. The partial radial distribution functions of 36 binary liquid alloy systems reported in literature were examined and then validated using four thermodynamic models. Results show that the molecular interaction volume model (MIVM) and regular solution model (RSM) outperform other models when an asymmetric method is used to calculate the partial radial distribution function. The MIVM exhibits a mean standard deviation (SD) of 0.095 and a mean absolute relative difference (ARD) of 32.2%. Similarly, the RSM demonstrates a mean SD of 0.078 and an ARD of 32.2%. The Wilson model yields a mean SD of 0.124 and a mean ARD of 226%. The nonrandom two-liquid (NRTL) model exhibits a mean SD of 0.225 and a mean ARD of 911%. On applying the partial radial distribution function symmetry method, the MIVM and RSM outperform the other approaches, with a mean SD of 0.143 and a mean ARD of 165.9% for the MIVM. The RSM yields a mean SD of 0.117 and an ARD of 208.3%. The Wilson model exhibits the mean values of 0.133 and 305.6% for SD and ARD, respectively. The NRTL model shows an average SD of 0.200 and an average ARD of 771.8%. Based on this result, the influence of the symmetry degree on the thermodynamic model is explored by examining the symmetry degree as defined by the experimental activity curves of the two components.

The changes in storage loss, water distribution status, gel characteristics, TBARS, total volatile basic nitrogen, and total plate count of cooked reduced-phosphate silver carp surimi batter during cold storage at 4 °C were investigated. The storage loss, content of free water, pH, hardness, TBARS, total volatile basic nitrogen value and total plate count of all cooked reduced-phosphate silver carp surimi batters significantly increased (P < 0.05) with increasing the cold storage time. Meanwhile, the content of immobilized water, whiteness, springiness, and cohesiveness decreased significantly (P < 0.05). At the same cold storage time, the sample of cooked reduced-phosphate silver carp surimi batter has lower water mobility, darker colour and better texture characteristics, but the values of TBARS, total volatile basic nitrogen and total plate count were not significantly different (P > 0.05). To sum up, the use of potassium bicarbonate instead of sodium tripolyphosphate could produce the cooked reduced-phosphate silver carp surimi batter with better water holding capacity and gel characteristics during cold storage.

Cyrene was evaluated for the first time as a potential sustainable mobile phase solvent in re-versed-phase chromatography. As a benign biodegradable solvent, Cyrene is an attractive re-placement to classical non-green organic chromatographic solvents such as acetonitrile and a modifier, co-eluent to known green solvents such as ethanol. Compared to ethanol, Cyrene is less toxic, non-flammable, bio-based, biodegradable and cheaper solvent. A fire safety spider Chart was generated to compare the properties of Cyrene to ethanol and show its superiority as a greener solvent. Cyrene's behaviour, advantages, and drawbacks in reversed-phase chromatography, including cut-off value, elution power, selectivity, and effect on the column, were investigated using a model drug mixture of moxifloxacin and metronidazole. A monolithic C18 (10 x 4.6 mm) column was used as a stationary phase. Different ratios of Cyrene: ethanol with an aqueous portion of sodium acetate buffer mobile phases were tested. A mobile phase consisting of Cyrene: ethanol: 0.1 M sodium acetate buffer pH 4.25 (8:13:79, v/v) was selected as most suitable mobile phase system for separating and simultaneously determining metronidazole and moxifloxacin. The greenness and whiteness of the method were evaluated using the qualitative green assessment tool AGREE and the white analytical chemistry assessment tool RGB12. Further potentials of Cyrene as a solvent or modifier in normal phase chromatography, liquid chromatography-mass spectrometry, and supercritical fluid chromatography are discussed.

The creation of nano-zero-valent iron (nZVI) by implementing plant extracts is an environmentally friendly process. High antioxidant capacity and phenol content indicated the possibility of oak-nZVI synthesis using oak leaf extract as a stable material with minimal agglomeration. Simultaneously removal of Cd and phosphates and Ni and phosphates was optimized by a statistically designed experiment with a definitive screening design. In terms of significance, 4 input parameters on process productivity were monitored: initial metal concentration (1 - 9 mgL-1), initial ion concentration (1- 9 mgL-1), pH value (2 - 10) and oak-nZVI dosage (2 - 16 ml). Phosphate removal efficiency, in the presence of cadmium, was the most influenced by oak-nZVI dose and cadmium concentration, while pH gave three statistically significant interactions with oak-nZVI dosage, cadmium concentration, and phosphate concentration. Phosphate removal efficiency, in the presence of Ni, is the most influenced by nickel concentration, phosphate concentration, pH, two-factor interaction between nZVI dose and Ni concentration, and quadratic phosphate interaction. The process optimization yielded the highest simultaneous removal efficiency of 98.99% and 87.30% for cadmium and phosphate ions, respectively. Also, the highest simultaneous removal efficiency of nickel and phosphates ion was 93.44% for 96.75%, respectively. The optimization process fits into the confidence intervals, confirming the assumption that the adopted regression model describes the process well. This work demonstrated an enormous potential and prosperous application for the Cd(II), Ni(II), and phosphate removal from water matrices.

TmMgB5O10 spontaneous crystals were synthesized via flux-growth technique from a K2Mo3O10-based solvent. The crystal structure of the compound was solved and refined within the space group P21/n. The first principles calculations of the electronic structure reveal that TmMg-pentaborate is an insulator with an indirect energy band gap of approximately 6.37 eV. Differential scanning calorimetry measurements and powder X-ray diffraction studies of heat-treated solids show that TmMgB5O10 is an incongruent melting compound. A characteristic band of Tm3+ cation corresponding to the 3H6 → 1D2 transition is observed in the photoluminescence excitation spectra of TmMg-borate. The as-obtained crystals exhibit intense blue emission with the emission peaks centered at 455, 479, 667 and 753 nm. The most intensive band corresponds to the 1D2 3F4 transition.

A new one-pot technique for preparation of polysaccharide-based Pd- and Pd-Ag nanocatalysts by sequential supporting natural polymer (2-hydroxyethyl cellulose (HEC), chitosan (Chit), pectin (Pec)) and metals on zinc oxide was developed. The nanocatalysts based on polysaccharide were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), Brunauer–Emmett–Teller (BET), infrared spectroscopy (IRS), X-ray powder diffraction (XRD), X-ray photoelectron spectra (XPS) and elemental analysis methods. The catalyst characterization results indicated complete adsorption of polysaccharide and metal ions on zinc oxide, forming polymer-stabilized Pd nanoparticles of ~2 nm in size, evenly distributed on the support surface. The catalysts were studied in the hydrogenation of 2-hexyn-1-ol under mild conditions (0.1 MPa, 40 °C). The catalysts demonstrated nearly the same conversion of 2-hexyn-1-ol. The selectivity to cis-hexen-1-ol of the catalysts decreases in the following order: 0.5%Pd-Ag(3:1)HEC/ZnO>0.5%Pd-Ag(3:1)Pec/ZnO>0.5%Pd-Ag(3:1)Chit/ZnO. The optimum reaction temperature and catalyst loading for the Pd-Ag catalysts modified with HEC and Chit have been determined (40 °C, 0.05 g).

The purpose of the review is to provide new insight into the potential of surface modification of carbon fibers for enhancing the application of the carbon fibers many a fold. To this end a total of 429 papers on the subject of surface modication of carbon fibers by a variety of chemical and electrochemical methods published during the period from 2010-2022 have been reviewed. Astounding results of surface funcationalization of carbon fibers by a variety of state of the art methods resulting in the unconventional applications of the resulting modified carbon fibers are summarized in a nut-shell in schemes from 1-6 towards the end of the review. Surface modifica-tion induces functionality to carbon fibers (CFs). The vitality of CF surface modification reac-tions could only be compared to the life process of respiration that sustains the multi functional-ity of living cells. Applicability of CFs can be drastically enhanced in incomprehensible ways by surface modification. Upon surface modification, inert and non-reactive CF surface becomes chemically active and functional with utility in diverse fields, namely, health, energy, environ-ment, defense, catalysis, smart materials and many others. Surface modification methods can be broadly classified into chemical, electrochemical and physical methods. By these surface modi-fication methods, the inert FC surface becomes polar. Surface properties like roughness, wetta-bility and energy are enhanced. Modification processes like sizing, oxidation, amination, si-lanization, polymerization, nanoarchitecture induces multifunctionality on CF surface. Modi-fied CFs when used as reinforcing material in carbon fiber reinforced plastics (CFRPs), im-proved bonding at the interface with resin matrices is observed with enhanced and outstanding mechanical properties (flexural strength, flexural modulus, IFSS, ILSS, hardness, elastic modulus, bending strength and compression strength).

In this work, the possibility of fabrication magneto-optical ceramics by vacuum sintering of compacts prepared by electrophoretic deposition (EPD) from suspensions of (Ho0.95La0.05)2O3 (HoLa) nanopowders made by self-propagating high-temperature synthesis and (Y0.9La0.1)2O3 (YLa) nanopowders made by laser synthesis was systematically investigated. The processes of the formation of bulk one- and two-layer compacts by the EPD method from non-aqueous suspensions of nanopowders was studied. The use of acetylacetone and polyvinyl butyral (PVB) was shown to make it possible to obtain stable alcohol suspensions of the nanopowders characterized by high zeta potential values (+29…+80 mV) and to carry out a stable EPD process. One-layer compacts were made from the YLa and HoLa nanopowders with a density of 30–43%. It was found out that the introduction of PVB into the suspension leads to a decrease in the mass and thickness of the green bodies deposited, but does not significantly affect their density. A possibility to make two-layers (YLa/HoLa) compacts with a thickness of up to 2.6 mm and a density of up to 46% was demonstrated. Sintering such compacts in a vacuum at a temperature of 1750°C for 10 hours leads to the formation of ceramics with a homogeneous boundary between the YLa/HoLa layers and thickness of the interdiffused ions layer of about 30 μm.

GaN nanowires grown on metal substrates attract an increasing interest for a wide range of applications. Herein, we report GaN nanowires grown by plasma-assisted molecular beam epitaxy on thin polycrystalline ZrN buffer layers, sputtered onto Si(111) substrates. The nanowire orientation is studied experimentally and described within a model as a function of the Ga beam angle, nanowire tilt angle and substrate rotation. We show that vertically aligned nanowires grow faster than inclined nanowires, which leads to an interesting effect of geometrical selection of the nanowire orientation in the directional molecular beam epitaxy technique. After a given growth time, this effect depends on the nanowire surface density. At low density, the nanowires continue to grow with random orientations as nucleated. At high density, the effect of preferential growth induced by unidirectional supply of material in MBE starts to dominate. Faster growing nanowires with smaller tilt angles shadow more inclined nanowires that grow slower. This helps to obtain more regular ensembles of vertically oriented GaN nanowires despite their random position induced by the metallic grains at nucleation. The obtained dense ensembles of vertically aligned GaN nanowires on ZrN/Si(111) surfaces are highly relevant for device applications. These results are not specific for GaN nanowires and should be relevant for any nanowires which are epitaxially linked to the randomly oriented surface grains in the directional molecular beam epitaxy.

Curcumin, a nontoxic and cheap natural medicine, has high therapeutic efficacy for many diseases including diabetes and cancers. Unfortunately, its exceedingly low water-solubility and rapid degradation in the body severely limit its bioavailability. In this work, we prepare a series of biocompatible poly(vinyl anisole)@nonlinear poly(ethylene glycol) (PVAS@PEG) core-shell nanogels with different PEG gel shell thickness to provide high water solubility, good stability, and controllable sustained release of curcumin. The PVAS nanogel core is designed to attract and store curcumin molecules for high drug loading capacity and the hydrophilic nonlinear PEG gel shell is designed to offer water dispersibility and thermo-responsive drug release. The obtained nanogels are monodispersed in spherical shape with clear core-shell morphology. The size and shell thickness of the nanogels can be easily controlled by changing the core-shell precursor feeding ratios. The optimized PVAS@PEG nanogels display a high curcumin loading capacity of 38.0 wt%. The nanogels can stabilize the curcumin from degradation at pH =7.4 and release the curcumin in response to heat in the physiologically important temperature range. The nanogels can enter cells effectively and exhibit negligible cytotoxicity to both the B16F10 and HL-7702 cells at a concentration up to 2.3 mg/mL. Such designed PVAS@PEG nanogels have a great potential to be used for delicate drug delivery.

In this study, we have focused on studying the heterogenous degradation kinetics of regarding the decomposition of emergency contraceptive agent levonorgestrel (LNG), which is a second-generation synthetic progestogen that is the active component of the racemic mixture of norgestrel. The degradation processes of the active pharmaceutical ingredient (API) were compared with the ones obtained from model system containing the API along with the excipients that are found in a commercialized pharmaceutical formulation in a mass ratio of 1:1 (LNGMIX), in order to observe if the excipients have a stabilizing or destabilizing effect for the degradation of this progestogen. To achieve this, the following investigational methods were used: FTIR (Fourier transform infrared) spectroscopy and thermal analysis (TG/DTG/DSC analysis). For the kinetic analysis the data obtained from two main decomposition processes observed on the DTG curves were used and processed with a preliminary method, namely ASTM E698 and two isoconversional methods: Friedman and Flynn-Wall-Ozawa. The isoconversional study revealed that the decomposition mechanism of both LNG and LNGMIX are complex, and the excipients have a stabilizing effect over decomposition of API in tablet.

Microwave absorbers with lightweight, good stability and high efficiency have attracted much attention for their applications in many contemporary fields. In this work, the 3D porous (Ni@NO-C)n/NO-C composite absorber was prepared by a wet chemistry method with Ni chains and melamine as precursors, in which NO-C (N,O-doped carbon) encapsulated Ni particles are homogenously dispersed in the 3D porous networks of NO-C in the form of (Ni@NO-C)n chains. The special microstructure of the as-prepared material is proved to be benefit for the improvement of its microwave adsorption performance. The as-synthesized (Ni@NO-C)n/NO-C composite ab-sorber exhibited an effective absorption bandwidth of 4.1 GHz and an extremely large reflection loss of -72.3 dB. The excellent microwave absorbing performances can be ascribed to the coopera-tive consequence of dielectric loss and magnetic loss along with the balance between attenuation capability and impedance match.

Currently, efficient utilization of low-grade thermal energy is a great challenge. Thermoelectricity is an extremely promising method of generating electrical energy from temperature differences. As a promising energy conversion technology, thermo-electrochemical cells (TECs) have attracted much attention in recent years for their ability to convert thermal energy directly into electricity with high thermal power. Within TECs, anions and cations gain and lose electrons, respectively at the electrodes using the potential difference between the hot and cold terminals of the electrodes by redox couples. Additionally, the anions and cations therein are constantly circulating and mobile via concentration diffusion and thermal diffusion, providing an uninterrupted supply of power to the exterior. This review article focuses mainly on the operation of TECs, recent ad-vances in redox couples, electrolytes, and electrodes. The outlook for optimization strategies re-garding TECs is also presented in this paper.

Stellatolides are natural compounds that have shown promising biological activities, including antitumor, antimicrobial, and anti-inflammatory properties, making them potential candidates for drug development. Chemical Reactivity Theory (CRT) is a branch of chemistry that explains and predicts the behavior of chemical reactions based on the electronic structure of molecules. Conceptual Density Functional Theory (CDFT) and Computational Peptidology (CP) are computational approaches used to study the behavior of atoms, molecules, and peptides. In this study, we present the results of our investigation of the chemical reactivity and ADMET properties of Stellatolides A-H using a novel computational approach called Conceptual DFT-based Computational Peptidology (CDFT-CP). Our study uses CDFT and CP to predict the reactivity and stability of molecules and to understand the behavior of peptides at the molecular level. We also predict the ADMET properties of the Stellatolides A-H to provide insight into their effectiveness, potential side effects, and optimal dosage and route of administration. This study sheds light on the potential of Stellatolides A-H as promising candidates for drug development and highlights the potential of CDFT-CP for the study of other natural compounds and peptides.

This study presents a methodology to fabricate Ti6Al4V cylindrical compacts with a highly porous core and dense shell with the purpose to mimic the bone microstructure. Compacts with different core diameters were obtained by conventionally press and sintering. Large pores were created with the aid of pore formers. Sintering kinetics was determined by dilatometry, whereas characterization was performed by X-ray computed tomography. Also, permeability was evaluated on the 3D microstructure and the mechanical strength was evaluated by compression tests. Results indicated that sintering is constraint by the different densification rates of the porous and dense layers. Nonetheless, defectless compacts were obtained due to neck bonding between Ti6Al4V particles. Large pores were located in the designed core with similar pore size distribution. Permeability increased following a power law as a function of the pore volume fraction. Stiffness of bilayer components was driven by the porous core, meanwhile, the strength resulted from the combination of both layers. Bilayer materials obtained showed a permeability and mechanical properties, as well as admissible strain (σy /E) similar to those of human bones.

Graphene-based nanoparticles possess remarkable physiochemical properties, making them promising for diverse applications in biomedicine, agriculture, food, and industrial applications. These nanoparticles have also been used in the fight against COVID-19. Human and environmental exposure to graphene-based nanomaterials is increasing at an unprecedented rate. However, there is still a huge knowledge gap regarding its safety in clinical applications. The topic remains controversial; although several routes of degradation exist, the cytotoxicity of graphene-based nanoparticles has been demonstrated. Various factors that can influence the cytotoxicity of graphene-based materials are discussed. This review summarizes the physiochemical properties of graphene-based materials and critically examines the possible effects of graphene-based nanoparticles on the molecular level and adverse health outcomes. While oxidative stress-mediated cell damage has been proposed as a primary cytotoxicity mechanism for graphene-based materials, various in vivo biodistribution and cytotoxicity mechanisms are also highlighted. Therefore, this review of the literature provides an overview of the cytotoxicity of GBMs and raises concerns about their widespread application with potential hazardous consequences on the environment and human health.

Polymer hydrogels are 3D networks consisting of hydrophilic crosslinked macromolecular chains, able to swell and retain water. Since their invention in the 1960s, they have become an outstanding pillar in the design, development, and application of engineered polymer systems suitable for biomedical and pharmaceutical applications (such as drug or cell delivery, regeneration of hard and soft tissues, wound healing, and bleeding prevention, among others). Despite several well-established synthetic routes of polymer hydrogels based on batch polymerization techniques, about fifteen years ago academia started to look for alternative methods involving simpler reaction paths, shorter reaction times, and lower energy consumption. In this context, frontal polymerization (FP) undoubtedly has become an alternative and efficient reaction model that allows for converting monomers into polymers via a localized and propagating reaction, by exploiting the formation and propagation of a “hot” polymerization front, able to self-sustain and propagate throughout the monomeric mixture. Therefore, the present work aims to summarize the main research outcomes, achieved during the last years, concerning the design, preparation, and application of FP-derived polymeric hydrogels, demonstrating the feasibility of this technique for the obtainment of functional 3D networks, and providing the reader with some perspectives for the forthcoming years.

The average sizes \ {\bar{L}}_{i\ } and their dispersion W_i along the i-th axis of crystallites in powders are used to determine the X-ray diffraction sizes, D_{i\ XRD}, averaged over crystallite columns within the BWA method. Numerical calculations have been carried out for an orthorhombic lattice of crystallites, such as LiFePO4, NMC, having Lamé's g-type superellipsoid shape. For Lognormal distributions, the analytical expression for the normalized coefficient Kn is found and includes two constants. The first K_{g,0} is a constant at W→0, the second K_g is a constant depending on the g -type shape. The dependences of D_{i\ XRD} are also calculated for Normal distribution. A fairly simple equation can be obtained as a result of analytical transformations in the framework of experimentally validated approximations. However, a simpler way is to carry out numerical computer calculations with subsequent approximation of the calculated curves. Using the obtained analytical expressions to control technologies from nuclear fuel to cathode materials will improve the efficiency of flexible energy network especially storage in autonomous and standby power plants.

Nanoparticles are of great importance for various scientific and technological applications, drug discovery, ecology, molecular biology, etc. Size is a basic characteristic of any particle, and dynamic light scattering is beyond competition when measuring particle size in dispersions ranging from nanometers to micrometers. Unfortunately, this method has a serious problem in processing and interpreting experimental data. Instrument noise and polydispersity of the sample lead to the situation when one initial autocorrelation function corresponds to several different particle size distributions. Sometimes these different solutions of the inverse task can be found by changing parameters in the software. Sometimes the scientist cannot be suspicious of possible other solutions, having one result from the program. In this article I demonstrate the problem on model and experimental data using three known programs: CONTIN, the Malvern Zetasizer and DynaLS. I also present my own free program Autocor, which allows to test our own hypotheses about the modality and shape of the particle size distribution by optimizing the parameters of our own models with a small number of degrees of freedom.

Developing low-cost and stable materials for converting solar energy into electricity is vital in meeting the world's energy demand. Metal-organic frameworks (MOFs) have gained attention for solar cells due to their natural porous architectures and tunable chemical structures. This review commences with an exploration of the synthetic methods of MOFs. Moreover, we discuss the various roles of MOFs, including photoanodes and counter electrodes in dye-sensitized solar cells and interfacial layers and charge carriers in perovskite solar cells. Ultimately, burdensome tasks and possible directions for advancing MOFs-based nanomaterials are provided for solar cells.

Broad-spectrum antifungal drug deployed for topical therapy, specific for onychomycosis, Itraconazole was used as the active pharmaceutical ingredient in a nail lacquer formulation¹. The objective of the study was to optimize an antifungal nail lacquer, which when applied topically onto the dorsal surface of the nail plate would facilitate the transungual penetration of the drug. Itraconazole hydrochloride was synthesized to aid the formulation of the lacquers. The optimization involved comparing four different formulations of 1%w/w Itraconazole nail lacquers containing combinations of penetration enhancers (Papain, Salicylic acid, Urea) based on their ability to facilitate diffusion of the drug through the nail plate over five days. The drug uptake was quantified by extracting the drug from the nail clippings and analyzing it. The tests conducted to account for the quality of the optimized formulation were drug content, spread ability, check for precipitation, and accelerated stability. The results demonstrated that the optimized 1%w/w Itraconazole nail lacquer contained 5%w/w Papain, 5 %w/w Salicylic Acid, and 2.8% w/w Urea. The drug uptake from nail clippings was higher than the literature derived reference MIC90 value for T. Rubrum strain, and the quality of the optimized lacquer was not compromised throughout three weeks [2]. The hypothesis stated that the inclusion of Salicylic acid, Papain, and Urea in an Itraconazole (1%w/w) nail lacquer would have the highest transungual penetration on application to the nail plate. In conclusion, the hypothesis was accepted, and the optimized lacquer passed the drug uptake evaluation and all quality control tests.

Tyrosinases (TYR) play an important role in oxidizing phenols and catechols, leading to the formation of catechols and ortho-quinones, respectively. In mammals, TYR catalyzes the conversion of L-Tyrosine to quinone, a pivotal step in melanogenesis, which generates melanin pigments responsible for protecting against UV radiation and oxidative stress. Given TYR's importance in melanin-related disorders and cosmetic applications, the inhibition of TYR has garnered attention for controlling melanin production. However, current inhibitors like hydroquinone, arbutin, and kojic acid (KA) have limitations in terms of side effects and effectiveness. A novel class of TYR inhibitors featuring arylpiperidine and arylpiperazine components has demonstrated potent inhibitory activity. This study presents a computational analysis of these inhibitors using molecular docking, molecular dynamics (MD) simulations, and the Linear Interaction Energy (LIE) method was used to estimate binding free energies. The arylpiperidine and arylpiperazine inhibitors exhibit remarkable stability within the TYR active site during simulations. The van der Waals interactions are notably sustained, indicating effective inhibition mechanisms. The results from LIE calculations closely align with experimental binding affinities. In summary, these results contribute to the understanding of TYR inhibition and underscore the potential of arylpiperidine and arylpiperazine derivatives as effective agents for modulating melanin production in both cosmetic and pharmaceutical applications. Overall, this study sheds light on the intricate interactions between inhibitors and TYR, opening avenues for the development of novel therapies and interventions.

By slowly evaporating 4-bromo-2-methylbenzonitrile at room temperature, it was possible to make a single organic nonlinear optical crystal. The grown crystal's crystalline nature was verified, and the unit cell characteristics are provided as a = 4.08Å, b = 6.61 Å, c = 28.93Å, α = 90º, β = 90º, γ = 90º. The functional groups of the crystal produced were identified using the FTIR and FT-Raman spectra. The UV cutoff wavelength is found at 221.6 nm, and the transparency nature of the crystal was analyzed in the optical studies.  The band gap of the grown crystal was estimated using the Taucs’ plot. The violet and red emissions of photoluminescence are discussed. A high dielectric constant was received at a low frequency. The TG/DTA curve shows that the grown crystal was stable up to 125.59 ºC.  The Kurtz-Perry powder technique was applied to confirm the Second Harmonic Generation's (SHG) nature. By using the agar diffusion method, the antibacterial property of the grown 4B2MBN crystal was determined.

Maxillofacial defects, arising from trauma, oncological disease or congenital differences, detrimentally affect everyday life. Prosthetic repair offers the aesthetic and functional reconstruction with the help of materials mimicking natural tissues, among which polymers take unprecedented role. The three-dimensional (3D) printing techniques based on the computer-aided design, where polymers are essential, provide a rapid and cost-effective workflow protocol to perfectly restore patient-specific anatomy for prosthetics. This review discusses the main 3D printing approaches to maxillofacial prostheses fabrication: extrusion and lithography, which are radically preferable to the traditional methods. The main assessment criteria, affording the polymer implementation in 3D printing of prostheses, as well as the characteristics of the key advanced polymers, are considered. The success of the prosthesis is shown to be largely dependent on the retention system, predominantly using polymers in the form of adhesives and osseointegrated implants as a support for the prosthesis. The approaches and technological prospects are also discussed in the context of specific aesthetic restoration on the example of the nasal, auricle and ocular prostheses. 3D printing techniques determine the development of personalized approaches to improve aesthetic and functional effect of prosthetics in patients with maxillofacial defects.

Non-systemic oral drugs, which do not get absorbed through the gastrointestinal membrane, are an important group of compounds for targeting diseases residing within the gastrointestinal lumen. However, they require a set of design principles not sufficiently covered by traditional druglikeness metrics, such as Lipinski’s Rule of 5. These druglikeness metrics fail to accurately identify true negative outcomes; such is the requirement for novel cheminformatic based approaches for the discovery of non-systemic small molecules. One such example of these newer metrics is the fraction of SP3-hybridised carbon atoms (fSP3) which has shown promising application as an identifier of poor oral-bioavailability. Herein, we discuss the application of fSP3 in the drug discovery process in a number of case studies, including our own work discovering non-systemic fructose scavengers for the treatment of fructose malabsorption.

Taste determination in small molecules is critical in food chemistry, but traditional experimental methods can be time-consuming. Consequently, computational techniques have emerged as val-uable tools for this task. In this study, we explore taste prediction using various molecular feature representations and assess the performance of different machine learning algorithms on a dataset comprising 2,601 molecules. The results reveal that GNN-based models outperform other ap-proaches in taste prediction. Moreover, consensus models that combine diverse molecular repre-sentations demonstrate improved performance. Among these, molecular fingerprints + GNN con-sensus model emerges as the top performer, highlighting the complementary strengths of GNNs and molecular fingerprints. These findings have significant implications for food chemistry research and related fields. By leveraging these computational approaches, taste prediction can be expedited, leading to advancements in understanding the relationship between molecular structure and taste perception in various food components and related compounds.

This study explores the Edaravone solubility space encompassing both neat and binary dissolution media. The efforts were made toward revealing the concentration limits inherently associated with common pure and mixed solvents. For this purpose, the published solubility data of the title drug were scrupulously inspected and cured. This enabled to make the dataset consistent and coherent. However, the lack of some important types of solvents in the collection called for an extension of the available pool of Edaravone solubility data. Hence, new measurements were performed for collecting Edaravone solubility in polar non-protic and polar di-protic media. Such an extended set of data was used for tuning the parameters of regressors models and formulating the ensemble for predicting new data. In both phases, namely the model training and ensemble formulation, close attention was paid not only to minimizing the deviation of computed values from the experimental ones but also to ensuring the high predictive power and computing solubility for new systems. Furthermore, the environmental friendliness characteristics determined based on the common green solvent selection criteria was included in the analysis. Our applied protocol led to the conclusion that the solubility space defined by ordinary solvents is limited, and it is unlikely to find solvents that are more suited for Edaravone dissolution than those depicted in this manuscript. The theoretical framework presented in this study provides a precise guide for conducting experiments, saving time and resources in the pursuit of new findings.

Abstract: The spectral and dynamic properties of 2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPO)

Complexes of triply positive europium ion with organic ligands are popular objects for studying photophysical properties. This is related not only to the bright red emission of this 4f element, but also to some spectroscopic peculiarities of its luminescence: the first excited spin-orbit level (7F1) lies only about 300 cm−1 above the ground state (7F0), so that at room temperature its population is around 25–30%. However, such electronic structure of Eu(III) provides its paramagnetism under ordinary conditions. This fact is often ignored by researchers, which is shortsighted from the materials science point of view. A comprehensive and systematic study of the magnetic behavior for the Eu(III) molecular coordination compounds is a challenging task for the development of new polyfunctional materials. The present work presents synthesis, single crystal XRD analysis results, and a magnetic study for the firstly prepared europium(III) complexes with two neutral scorpionate ligands: trispyrazolylmethane (HCPz3) and its methylated analog, tris(3,5-dimethyl-1-pyrazolyl)methane (HC(PzMe2)3). The values of the spin-orbit coupling parameter obtained for Eu-trication by a theoretical approximation of the experimental magnetic susceptibility data are compared with those known for the scarce amount of the magnetically studied molecular compounds.

Supercritical fluid extraction (SFE) is an innovative green technology for the extraction of phytochemicals from plants. Therefore, this study aimed to evaluate the application of SFE and to optimize the extraction condition of the Thai herbal formula, Kleeb Bua Daeng (KBD). A Box-Behnken design (BBD) with response surface methodology was used to determine the effect of extraction time, temperature, and pressure on response variables including extraction yield, total phenolic content (TPC), total flavonoid content (TFC), total carotenoid content (TCC) and total anthocyanin content (TAC) of KBD formula. The highest percentage extraction yield, TPC, TFC, and TCC of the extracts were 3.81%, 464.56 mg gallic acid equivalents/g extract, 217.19 mg quercetin equivalents/g extract, and 22.26 mg β-carotene equivalents/g extract, respectively. The results indicated that SFE is a suitable method of extraction for green recovery of some phytochemicals from the KBD formula.

Nature has always been a source of inspiration for the development of novel materials and devices. In particular, polymer actuators that mimic the movements and functions of natural organisms have been of great interest due to their potential applications in various fields, such as biomedical engineering, soft robotics, and energy harvesting. During recent years, the development and actuation performance of electrospun fibrous meshes with the advantages of high permeability, surface area and easy functional modification, has received extensive attention from researchers. This review covers the recent progress in the state-of-the-art electrospun actuators based on commonly used polymers such as stimuli-sensitive hydrogels, shape-memory polymers (SMPs), and electroactive polymers. The design strategies inspired by nature such as hierarchical systems, layered structures, responsive interfaces to enhance the performance, and functionality of these actuators including the role of biomimicry to create devices that mimic the behavior of natural organism are discussed. Finally, the challenges and future directions in the field, with a focus on the development of more efficient and versatile electrospun polymer actuators that can be used in a wide range of applications, are addressed. The insights gained from this review can contribute to the development of advanced and multifunctional actuators with improved performance and expanded application possibilities.

This research examines the fire resistance of geopolymer composites (GCs), formulated using alka-li-activated metakaolin and aluminum powder. The production method involves spray-coating carbon steel plates with fresh GCs, followed by a 28-day curing period at room temperature. Sub-sequently, fire performance and aging tests are conducted to evaluate fire resistance. The study investigates GC properties, including apparent density, bending strength, compression strength, thermal conductivity, porosity, and production cost. Morphological changes before and after fire and aging tests are analyzed using scanning electron microscopy (SEM). Results demonstrate GC foams' outstanding thermal insulation, providing up to 75 minutes of fire resistance with a 6 mm coating, reducing temperatures by 300 °C compared to uncoated steel. GCs exhibit a density of 670 kg/m³, thermal conductivity of 0.166 W/m·K, 68% porosity, and cost efficiency at 250 dollars per cubic meter. This study underscores the potential of foamed geopolymer coatings for effective and economical surface protection.

Real-time monitoring the freshness of food that stored in refrigerator is of great significance to alarm the potential food spoilage and prevent severe health problems. Among those frequently reported methods, discriminating the food freshness through tracking volatile compounds receives extensive attention. Nevertheless, the ambient environment of low temperature (normally below 4oC) and high humidity (90% R.H.) as well as poor selectivity in sensing gas species still remain the challenge. In this research, an integrated smart gas tracking device is deigned and fabricated. Through applying pump voltage on an yttria-stabilized zirconia (YSZ) membrane, oxygen concentration in the testing chamber can be manually tailored. Due to working principle of the sensor follows the mixed potential behavior, distinct difference in sensitivity and selectivity are observed for the sensor that operated at different oxygen concentration. Typically, the sensor gives satisfactory selectivity to H2S, NH3, C2H5OH at the oxygen concentration of 10%, 30% and 40%, respectively. In addition, acceptable response/recovery rate (within 24 s) is also confirmed. Finally, a refrigerator prototype that includes the smart gas sensor is built, and satisfactory performance in discriminate food freshness status of fresh or semi-fresh is verified for the proposed refrigerator prototype. In conclusion, these aforementioned promising results suggest that the proposed integrated smart gas sensor could be a potential candidate for alarming food spoilage.

Polycyclic aromatic hydrocarbons (PAHs) have emerged as promising materials for organic electronics, including organic photovoltaics (OPVs), organic field-effect transistors (OFETs), and organic light-emitting diodes (OLEDs). Particularly, non-hexagonal ring-fused PAHs are highly desirable due to their unique optoelectronic properties. Herein, a new redox-active azulene-perylene diimide triad 1 and its ring-fused counterpart, diazulenocoronene diimide 2, were synthesized and fully characterized by a combination of NMR, cyclic voltammetry, spectroelectrochemistry, and UV-visible absorption spectroscopy. Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations were performed to gain further insight into various electronic transitions. Interestingly, we found that the adaptive response to acids and bases manifests itself in a reversible two-color-change that can be attributed to changes in the chemical structures.

Building heterojunction is promising strategy for the achievement of highly efficient photocatalysis. In this study, a novel SnIn4S8@ZnO Z-scheme heterojunction with tight contact interface was successfully constructed through a facile two-step hydrothermal method. The phase composition, morphology, and photophysical properties of SnIn4S8@ZnO were studied through a series of characterization methods, respectively. Methylene blue (MB) was selected as the target pollutant for photocatalytic degradation and the degradation process was fitted with pseudo-first order kinetics. The as-prepared SnIn4S8@ZnO heterojunctions exhibited outstanding photocatalytic activities for the degradation of MB. The optimized sample (ZS800), in which the molar ratio of ZnO to SnIn4S8 was 800, displayed the highest photodegradation efficiency of MB (91%) within 20 min. Furthermore, the apparent rate constant of photodegradation for MB of ZS800 (0.121 min−1) was 2.2 times higher than that of pure ZnO (0.054 min−1). The improvement of photocatalytic activity could be attributed to the effective spatial separation of photogenerated charge carriers through a Z-scheme heterojunction with intimate contact interface. This work will provide a new insight into constructing excellent ZnO-based photocatalytic systems for wastewater purification.

This study presents an innovative analytical method for the detection and quantification of 14 β-agonists in pork using liquid chromatography-tandem mass spectrometry (LC-MS/MS). The method involves the use of a solid phase microextraction (SPME) probe, consisting of a wooden tip coated with polyacrylonitrile (PAN) and molecularly imprinted polymer (MIP). This probe has been integrated into an automated extraction device, designed in our laboratory to extract the target analytes prior to LC-MS/MS analysis. Compared to the traditional solid-phase extraction (SPE) procedure, the proposed approach significantly reduces the costs related to adsorbent ma-terial and solvent consumption, and shortens purification time, thereby reducing both the tech-nical workload and associated expenses. The methodology has been carefully validated in ac-cordance with the National Standard of the People's Republic of China (GB/T 22286-2008), evalu-ating key parameters including the limit of detection (LOD), limit of quantification (LOQ), matrix effects, linearity, and both intra-day and inter-day precision. The average recovery rates for all β-agonists were observed to lie between 71.6% and 82.2%, with relative standard deviations (RSDs) consistently below 15% for both types of precision. The LOD and LOQ values were found to range from 0.09 to 0.39 μg/kg and 0.27 to 0.99 μg/kg, respectively. In terms of accurate detection of positive samples, the developed method demonstrated a closer approximation to the true value of the sample compared to the National Standard method GB/T 31658.22-2022. Overall, the proposed method exhibits substantial promise for the routine assessment of β-agonists in pork and presents a practical alternative for compliance monitoring in regulatory settings.

Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI–TOF MS) is a commonly used technique for analyzing large biomolecules. However, the utilization of organic matrices limits the small-molecule analysis because of the interferences in the low-mass region and reproducibility issues. To overcome these limitations, a surface-assisted laser desorption/ionization (SALDI), which utilizes nanostructured metallic surfaces, has been developed. Herein, a novel approach for SALDI–MS was proposed using nanoengineered gold shell with nanogaps on the silica core (SiO2@Au NGS), which is an emerging material due to its excellent heat-generating capabilities. The gold shell thickness was controlled by adjusting the concentration of gold precursor for the growth of gold nanoparticles. SALDI-MS measurements were performed on a layer formed by drop-casting a mixture of SiO2@Au NGS and analytes. At the optimized process, the gold shell thickness was observed to be 17.2 nm, which showed the highest absorbance. The ion desorption efficiency was confirmed with a survival yield upon fragmentation. Based on the enhanced SALDI capability, SiO2@Au NGS was utilized to detect various small molecules including amino acids, sugars, and flavonoids. The limits of detection, reproducibility, and salt tolerance of SiO2@Au NGS demonstrate its potential as an effective and reliable SALDI material for small-molecule analyses.

In this work, alkylammonium-functionalized hollow mesoporous silica as nonocarrier of drugs was synthesized to realize enhanced cancer therapy by pH stimuli for sustained drug release. First, functionalized hollow mesoporous silica nanoparticles (Hollow MSNs) were synthesized using dodecyl dimethyl(3-sulfopropyl)ammonium hydroxide (DDAPS), sodium dodecyl sulfate (SDS), and triethanolamine as structure-directing agents, and tetraethyl orthosilicate (TEOS) and N-trimethoxysilypropyl-N,N,N-trimethylammonium chloride (TMAPS) as silica sources under basic condition via the sol-gel process. The structure and morphology of the alkylammonium-functionalized hollow mesoporous silica nanoparticles (Hollow MSN-N+CH3) were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), N2 adsorption-desorption analysis, and Fourier-transform infrared (FT-IR) spectroscopy. The functionalized hollow MSNs had a particle size of about 450 nm and a shell thickness of about 60 nm with uniform size. The nanoparticle had a surface area of 408 m2g-1, pore volume of 0.8 cm3g-1 and a uniform pore diameter of 45.9 Å. In the cancer cell viability test with MCF-7 cell, fludarabine-incorporated and alkylammonium-functionalized hollow mesoporous silica nanoparticles (Flu/Hollow MSN-N+CH3) showed excellent cancer cell death comparable with pure fludarabine drug with the controlled drug release by pH stimuli. It is considered that our current materials have the potential applicability as pH-responsive nanocarriers in the field of cancer therapy.

Conductive nanocomposites play a significant role in tissue engineering by providing a platform to support cell growth, tissue regeneration, and electrical stimulation. In this present study, a set of electroconductive nanocomposite hydrogels based on gelatin (G), chitosan (CH) and conductive carbon black (CB) was synthesized with the aim to develop novel biomaterials for tissue regeneration application. Incorporation of conductive carbon black (10, 15 and 20 wt %) significantly improved electrical conductivity and enhanced mechanical properties with the increased CB content. We employed an oversimplified unidirectional freezing technique to impart anisotropic morphology with interconnected porous architecture. An investigation into whether any anisotropic morphology affects the mechanical properties of hydrogel was conducted by performing compression and cyclic compression tests in each direction parallel and perpendicular to macroporous channels. Interestingly, nanocomposite with 10 % CB produced both anisotropic morphology and mechanical property, whereas anisotropic pore morphology diminished at higher CB concentration (15 and 20 %) imparting denser texture. Collectively, the nanocomposite hydrogels showed great structural stability as well as good mechanical stability and reversibility. Under repeated compressive cyclic at 50 % deformation, the nanocomposite hydrogels showed preconditioning, characteristic hysteresis, nonlinear elasticity, and toughness. Overall, the collective mechanical behavior resembled the mechanics of soft tissues. Electrical impedance associated to the hydrogels was studied in terms of modulus and phase in dry and wet condition. The electrical properties conducted in wet conditions, which is more physiologically relevant, showed low impedance at high frequencies due to capacitive currents. Overall, impedance of the nanocomposite hydrogels decreased with increased CB concentrations. These gelatin-chitosan–carbon black nanocomposite hydrogels show great promise for use as conducting substrates for the growth of electro-responsive cells in tissue engineering.

Printed oral splints are a therapeutic alternative in the treatment of functional disorders. Their mechanical properties are crucial to their clinical success and their performance can vary depending on cleaning, post-polymerization, or build orientation. This in vitro study aimed to compare the biaxial flexural strength of the chosen materials depending on the aforementioned parameters. 720 discs (n = 15 per group, 16 mm x 2 mm) were printed from splint materials. Printing was performed under 90°, 45°, or 0° orientation to the building platform with supporting structures. Specimens were either automatically or manually cleaned with isopropanol. Post-polymerization was performed with LED- or Xenon-light. Biaxial flexural strength (BFS) was determined with a piston-on-3-ball test after 24 hours or 60 days water storage (37°C). Test specimens were preloaded with 0.5 N and the load was applied by a piston of 1.6 mm in diameter at 1 mm/min crosshead speed. Statistics were performed by using descriptive statistics, ANOVA, and Levene-tests. Mean BFS after 24 hours of storage varied between 79 MPa and 157 MPa. After 60 hours the BFS significantly decreased and revealed values ranging from 72-127 MPa (mean24 113 MPa, mean60 97 MPa; p&lt;0.001). No significant differences could be determined between the materials (p=0.103) or between the different cleaning procedures (p=0.321). Post-polymerization yielded higher means with LED- (P1: 115 MPa) than with Xenon-light (P2: 95 MPa; p&lt;0.001). Regarding position, the mean values ranged from 101 MPa for 0°, 102 MPa for 45°, and 115 MPa for 90°, which was significantly different (p&lt;0.001). Build orientation of 90° and post-polymerization with LED-light provided significantly higher biaxial flexural strength and should be used to guarantee optimal strength of splint materials. Aging decreased the biaxial flexural strength of the tested specimens.

Contrast agents developed for X-ray computed tomography (CT) offer extremely valuable tools and techniques in diagnostics via contrast enhancements. Heavy metal-based nanoparticles (NPs) can provide high contrast in CT images. These result from a high density of heavy metal atoms with high X-ray attenuation coefficients that exceed that of iodine (I), which is currently used in hydrophilic organic CT contrast agents. Nontoxicity and colloidal stability are vital characteristics in designing heavy metal-based NPs as CT contrast agents. In addition, the particle size must be small for in vivo renal excretion. In vitro phantom imaging studies can provide X-ray attenuation efficiency, which is a critical parameter for CT contrast agents, and the imaging performance of CT contrast agents can be demonstrated via in vivo experiments. This review focuses on in vitro and in vivo studies of various heavy metal-based NPs (metal: Au, Pt, Pd, Ag, Ce, Gd, Dy, Ho, Yb, Ta, W, and Bi) and provides an outlook on their use as high-performance CT contrast agents.

Background: Antibiofilm activity of silver nanoparticles has been extensively investigated in common bacteria. Metallo-β-lactamase producing Gram-negative bacteria are hard-to-treat microorganisms with few therapeutic options, and silver nanoparticles were not evaluated on the biofilm of these bacteria. Objectives: The aim of this study was to evaluate the antibiofilm activity of a bone scaffold impregnated with silver nanoparticles in NDM-producing Gram-negative bacilli. Methods: Bone scaffolds from bovine femur were used for the tests and impregnated with silver nanoparticles (50 nm) by physical adsorption. Silver nitrate minimal inhibitory and bactericidal concentrations (MIC and MBC) were performed on NDM-producing Escherichia coli, Klebsiella pneumoniae, and Pseudomonas aeruginosa. Disc diffusion tests for silver nanoparticles susceptibility and quantification of biofilm production on plate and bone with sessile cell count were performed. Results: The MIC results demonstrated that silver nitrate had an antimicrobial effect on all microorganisms, inactivating the growth of isolates from a concentration of 8 µg/mL. MBC results showed that E. coli 16.211 was the only isolate to present MIC different from MBC, with a value of 16 µg/mL. Conclusion: Bone scaffolds impregnated with silver nanoparticles can significantly reduce biofilm, and it can be a strategic material to be used as an implant for different approaches.

An atomic-scale approach is employed to simulate the formation of precipitates with different lattice misfits in the early stages of aging of supersaturated aluminum alloys. Simulation results reveal that the increase of lattice misfit could significantly promote the nucleation rate of precipitates, which results in a larger number and smaller size of the precipitates. The morphologies of the precipitates also vary with the degree of lattice misfit. Moreover, the higher the lattice misfit, the earlier the nucleation of the second phase occurs, which can substantially inhibit the movement of dislocations. The research on the lattice misfit of precipitation can provide theoretical guidance for the design of high-strength aluminum alloy.

In this work, the nearest neighbor distances and Voronoi cell features of the Cu-Ag deposits were analyzed and fitted with Lognormal, Weibull, and Gamma distributions. The nearest neighbor distance distributions of the samples were compared with those of complete spatially random points, showing spatial inhomogenity due to the nucleation exclusion effect. The radial distribution function was calculated, showing both influences from the grain size and the nucleation exclusion effect. Voronoi cells were generated based on the shape of the grains. The size, occupancy, and coordination of the Voronoi cells were examined and fitted. The results show that despite the Cu-Ag deposits seem to be governed by instantaneous nucleation mode, the spatial distribution of the nuclei is more impacted by the nucleation exclusion effect than the Cu-only samples. This behavior is also justified by the grain size distribution generated with Voronoi cell size and occupancy distributions.

The effect of graphene (GR) on Ni surface relaxation and reconstruction in three different substrate orientations: {111}, {001}, {011}, at two different temperatures: 300K and 400K was studied using Molecular Dynamics simulation. The change of the interplanar distances of the substrate and redistribution of Ni and C atoms in direction perpendicular to the surface were compared with the equilibrium state of GR and bulk Ni, in the absence of the counterpart. The surface reconstruction for GR/Ni system was analyzed base on the calculated radial pair distribution function of Ni and C atoms. The surface roughness was visualized using 2D atomic distribution maps. For the studied substrate orientations and temperatures, it was found that the most densely packed orientation of the Ni base {111} provides minimal changes of the structural parameters of both counterparts at 400 K.

Polyhedral Oligomeric Silsesquioxanes (POSS) are one of the smallest silica nano particles. The presence of ordered ladder-like or cage conformation in their structure leads to remarkable thermal stability far greater than that for a linear polysiloxane. Reinforcement with nano particles is one of the recently favored strategy used to enhance the performance of polymers materials. The cyclic silica structure present in POSS ensures excellent thermal and mechanical stability. As a reinforcing filler, POSS can enhance the resistance of polymer matrix against pyrolysis and corrosion. In this paper, amine-terminated POSS with ladder like structure was synthesized by condensation of hydrolyzed aminosilane coupling agent. The ladder-like structure of POSS severely limits the motion of the chain backbone. The absence of phase transition for the synthesized POSS was confirmed by differential scanning calorimetry (DSC). Thermogravimetric analysis (TGA) was utilized to evaluate the thermal stability of POSS. TGA data show that the ladder-like POSS reported here has high char yield of about 75 % in nitrogen atmosphere and 54% in air atmosphere at 800℃. The TGA derivative curves show that the degradation of ladder-like POSS involves multiple stages and that the degradation rate is directly proportional to the heating rate. With the aid of Fourier Transform Infrared Spectroscopy (FT-IR), the cyclic structure of Si-O-Si bonding was determined to be the predominant structure. By analyzing the FTIR spectra of the cured POSS residue obtained at the specified temperatures, the detailed degradation mechanism of POSS was inferred. From the FTIR spectra of the low temperature cured samples, it was shown that the terminal silanol group was eliminated below 400℃. Some intermediate polymeric siloxane structures were observed by means of FT-IR and they eventually transitioned into silica which is the final product of pyrolysis of POSS. The presence of the FTIR transmission peaks at 1000 and 1100 cm-1, due to asymmetrical vertical and horizontal stretching of Si-O-Si, were the key evidence for the inferred ladder-like structure of POSS.

Electrocatalytic reduction of CO2 to valuable chemicals can alleviate the energy crisis, and solve the greenhouse effect. The key is to develop non-noble metal electrocatalysts with high activity, selectivity and stability. Herein, bimetallic MOF materials (BiZn-MOF, BiSn-MOF and BiIn-MOF) were constructed by coordinating the P-zone transition metals Zn, In, Sn and Bi with the organic ligand 3-amino-1H-1,2,4-triazole-5-carboxylic acid (H2atzc) through a rapid microwave synthesis approach. The coordination centers in bimetallic MOF Catalyst were regulated to optimize the catalytic performance to CO2RR. The optimized catalyst BiZn-MOF exhibited high catalytic activity than those of Bi-MOF, BiSn-MOF and BiIn-MOF. The BiZn-MOF exhibited a higher selectivity for formate production with a Faradic efficiency (FE=92%) at a potential of -0.9 V (vs. RHE) with a current density of 13 mA/cm2. The current density maintained for 13 h continuous electrolysis. The electrochemical conversion of CO2 to formic acid mainly follows the *OCHO pathway. The good catalytic performance of BiZn-MOF may be attributed to the Bi-Zn bimetallic coordination centers in the MOF, which can reduce the binding energies of the reaction intermediates by tuning the electronic structure and atomic arrangement. This study provides a feasible strategy for performance optimization of bismuth-based catalysts.