A fundamentally new synthetic approach to the synthesis of 2-aminopurine has been developed. It consists in the combination of creation of condensed polyazotic heterocyclic tetrazolopyrimidine structure, it’s transformation into triaminopyrimidine and subsequent cyclization into 2-aminopurine. The structure of the obtained compounds was established based on spectral characteristics and intermediate 5 directly by X-ray diffraction analysis.

This study focuses on the modification of ion-exchange membranes by incorporating phosphorylated dendrimer into sulfonated polytetrafluoroethylene membranes to enhance specific selectivity between mono-/divalent ions, using the Ca2+/Na+ pair as an example. The research employs mechanical, physico-chemical, and electrochemical analyses to explore the effects of P-H20 incorporation on membrane properties. Bulk modification significantly increases membrane selectivity towards calcium ions (specific permselectivity coefficient rises from 1.5 to 7.2), while maintaining the same level of the limiting current density. Other findings indicate that bulk modification significantly changes the transport-channel structure of the membrane and alters the mechanism of over-limiting mass transfer. The over-limiting current for the pristine membrane is mainly due to non-equilibrium electroconvection, while modified membranes actively participate in the water-splitting reaction, leading to the suppression of the electroconvection. Despite this drawback, the decrease of the over-limiting potential drop results in a decrease in specific energy consumption from 0.11 to 0.07 kWh/mol. In the under-limiting current mode, the specific energy consumption for all studied membranes remains within the same limits of 0.02-0.03 kWh/mol.

How crucial is big data in contemporary molecular design? In this publication we elucidate fundamental concepts and terminology in this field, critically addressing overlooked issues. We thoroughly examine the size, accessibility, quality, and structural aspects of big data alongside the primary methodologies employed for their analysis. Within chemical compounds, properties and descriptors represent two distinct data types, forming the basis for categorizing molecular big data. The primary objective of chemistry is property production, which means we are searching for novel drugs or materials rather than chemical compounds, and big data is the central issue of this philosophy. The increasing availability of data in computer-aided technology propels advancements in artificial intelligence (AI), machine learning (ML), and deep learning (DL). Accordingly, a broad chemical audience must comprehend these methods to understand data-centered chemistry. Thus, we aim to systemize big data issues through a simple illustrative framework with fundamental descriptor categories: coding, computer-generated descriptors, and property correlates. Although we employ computer-generated descriptors as big data for predictions, the measured data are irreplaceable for achieving high-quality and reliable outcomes and controlling molecular effects. The scarcity of property data remains a significant hurdle limiting comprehensive studies on the structure-property relationships within big data. Accordingly, guided by pragmatics not-so-big data is an option for drug design. We presented also a brief review of the recent big data literature.

Polymer-based (nano)composite foams, especially those having a microcellular structure, containing suitable conductive (nano)fillers, have been shown to act as good shielding materials, hence coming as promising to act as shields in electronic devices, limiting/avoiding electromagnetic interference (EMI) pollution. Nevertheless, due to their high (micro)structural complexity, related to their multiphase nature, there is still a lot of unawareness behind the shielding mechanisms acting in these materials, coming as a necessity to study their microstructure-cellular/porous structure-properties relations, especially in terms of their electrical conductivity and EMI shielding efficiency (EMI SE). To target and control the electrical conductivity through a controlled distribution/dispersion of conductive nanofillers, single or combined (nanohybrids), as there is a direct relation between electrical conductivity and EMI SE, as well as the main EMI shielding mechanisms working on the developed microcellular structure of the foams, which are expected to be absorption-dominated or absorption/multiple reflection-based, are two of the main objectives when combining polymer foaming with the addition of conductive nanofillers. The present review work considers the recent developments and trends on polymer-based foams containing conductive nanofillers, especially carbon-based such as carbon nanotubes or graphene-based materials, as well as similar porous structures created using trending technologies such as 3D printing, for EMI shielding applications. It is divided in different sections, starting with the strategy of microcellular foaming to develop polymer-based foams with enhanced EMI shielding characteristics, especially focusing on technologies and methods using supercritical CO2 (sCO2); continuing with the use of polymer foams as templates to synthesize carbon foams with improved EMI shielding performance for high use temperature applications; the recent strategy of combining different functional (nano)fillers to create hybrid nanofillers/nanohybrids to be used at lower amounts as conductive fillers in polymer foams; the control and selective distribution of the nanofillers in terms of favoring the formation of a more effective conductive network and hence promote the enhancement of the EMI SE; the very recent use of computational approaches to tailor the EMI shielding properties of composite foams; and the very trending possibility of creating cellular components with varied porous structures from these materials using 3D printing; to finish, some future perspectives are discussed.

The short-lived positron-emitter carbon-11 (t1/2 = 20.4 min; b+, 99.8%) is prominent for labeling tracers for use in biomedical research with positron emission tomography (PET). Carbon-11 is produced for this purpose with a cyclotron, nowadays almost exclusively by the 14N(p,a)11C nuclear reaction, either on nitrogen containing a low concentration of oxygen (0.1–0.5%) or hydrogen (~ 5%) to produce [11C]carbon dioxide or [11C]methane, respectively. These primary radioactive products can be produced in high yields and with high molar activities. However, only [11C]carbon dioxide has some utility for directly labeling PET tracers. Primary products are required to be converted rapidly and efficiently into secondary labeling synthons to provide versatile radiochemistry for labeling diverse tracer chemotypes at molecular positions of choice. This review surveys known gas phase transformations of carbon-11 and summarizes the important roles that many of these transformations now play for producing a broad range of labeling synthons in carbon-11 chemistry.

Amphibians are widely known as a prolific source of bioactive metabolites. In this work we isolated and characterized compounds with antiparasitic activity from the oocytes of the toad Rhinella alata collected in Panama. Bio-guided isolation and structural elucidation was carried out using chromatographic and spectroscopic techniques. The organic crude extract was subjected to solid phase extraction followed by HPLC purification of the fraction with in vitro activity against Trypanosoma cruzi trypomastigotes. Seven steroids (1-7) of the bufadienolide family were isolated and their structures determined using NMR and MS analyses; of these 19-formyl-dyscinobufotalin (3) is reported as a new natural product. Compounds 1, 3-7, resulted with a good anti-trypanosomal activity profile, among these 16β-hydroxyl-hellebrigenin (1) and bufalin (7) showed significant selectivity for T. cruzi. Furthermore, molecular docking analysis showed compounds 1, 3 and 7 interact through H-bonds with the amino acid residues GLN-19, ASP-158, HIS-159 and TRP-177 from cruzipain, at the catalytic site. Given the lack of therapeutic options to currently treat the American trypanosomiasis, this work can serve as the basis for further studies that aim the development of bufadienolides or their derivatives as drugs against Chagas disease.

A sensitive and robust electrochemical cholinesterase-based sensor was developed to detect the quaternary ammonium (QAs) biocides most frequently found in agri-food industry wash waters: benzalkonium chloride (BAC) and didecyldimethylamonium chloride (DDAC). To reach the maximum residue limit of 2.8 10-8 M imposed by the European Union (EU), two types of cholinesterases were tested, acetylcholinesterase (AChE, from Drosophila melanogaster) and butyrylcholinesterase (BChE, from horse serum). The sensors were designed by entrapping AChE or BChE on cobalt-phthalocyanine-modified screen-printed carbon electrodes. The limits of detection (LOD) of the resulting biosensors were 3.8 10-8 M for DDAC and 3.2 10-7 M for BAC, using respectively AChE and BChE. A simple solid phase extraction step was used to concentrate the samples before biosensor analysis, allowing the accurate determination of DDAC and BAC in tap water with limits of quantification (LOQ) as low as 1.3 10-9 M and 5.3 10-9 M, respectively. The biosensor was shown to be stable during 3-months storage at 4°C.

Dimers and oligomers of alkenes represent a category of compounds that are in great demand for diverse industrial sectors. Among the developing synthetic methods, the catalysis of alkene dimerization and oligomerization using transition metal salts and complexes is of undoubted interest for practical application. This approach demonstrates substantial potential, offering not only elevated reaction rates but also precise control over the chemo-, regio-, and stereoselectivity of the reactions. In this review, we discuss the data on catalytic systems for alkene dimerization and oligomerization. Our focus lies in the analysis of how the activity and chemoselectivity of these catalytic systems are influenced by various factors, such as the nature of the transition metal, the ligand environment, the activator, and substrate structure. Notably, the review particularly discusses the reaction mechanisms, encompassing metal complex activation, structural and dynamic features, and the reactivity of hydride intermediates, which serve as potential catalytically active centers in alkene dimerization and oligomerization.

The study covered the leaves of 25 varieties of highbush blueberry Vaccinium corymbosum L. Determinations were performed for phenolic acid (chlorogenic, neochlorogenic, cryptochlorogenic, 3,5-dicaffeoylquinic and 4,5-dicaffeoylquinic acids), flavonoid (catechin, rutin, isoquercetin), arbutin and hydroquinone content. The content of phenolic acids and flavonoids in the test material suggests that highbush blueberry leaves can be a potentially good material for dietary supplement production, although the relatively high arbutin content (exceeding 4% in the case of the Bonus, Chantiklee and Herbert varieties) limits this possibility to herbal medicinal products applied in case of health issues for a limited time, similar to other over-the-counter arbutin products (bearberry Arctostaphylos uva-ursi and lingonberry Vaccinium vitis-idaea leaves).

As part of a comprehensive research on eco-friendly processing techniques, the influence of heat treatment environment on the case-hardening of AISI 1018 steel using pulverized cassava leaf was studied. The process was carried out at two different temperatures (850˚C and 950˚C) and under three environmental conditions: (Process 1) the control experiment, was carried out in air only, (Process 2) the medium comprised of pulverized cassava leaves, and (Process 3) the combination of pulverized cassava leaves plus barium carbonate (BaCO3) as an energizer (CBC mixture). Vickers microhardness testing and scanning electron microscopy were used to evaluate the effect of processing environment on case hardening of the steel. As expected, regardless of the processing temperature, Process 1 resulted in little or no hardening of the steel surface. However, notable case hardening occurred when steel specimens were subjected to either Process 2 or Process 3. Furthermore, the inclusion of barium carbonate in Process 3 significantly enhanced the case hardening effectiveness of the cassava leaf as it pertains to rate and maximum hardness achieved. Maximum enhancement was observed at 950oC. After 1 hour, the increase in hardness were 160% and 280%, for Process 2 and Process 3, respectively. Upon increasing the processing time to 5 hours, the increase in hardness due to Process 2 was raised to 254%, while that of Process 3 remained at approximately 280%. Diffusivity of AISI 1018 was calculated using the microhardness data. Diffusivity was highest in Process 2 samples with values of 1.568 x 10-9 m2/s at 850°C and 1.893 x 10-9 m2/s at 950 °C.

Antimicrobial resistance is an increasing problem for the global public health. One of the strategies to combat this issue is the synthesis of novel antimicrobials through rational drug design based on extensive structure-activity relationship studies. The thiazole nucleus is a prominent feature in the structure of many authorized antimicrobials, being clubbed with different heterocycles. The purpose of this review is to study the structure-activity relationship in antimicrobial thiazoles clubbed with various heterocycles reported in the literature between 2017 and 2022, in order to offer an overview of the last years in terms of antimicrobial research and provide a helpful instrument for future research in the field.

The in silico studies were performed in order to assess the binding affinity of selected organophosphorus compounds towards the acetylcholinesterase enzyme (AChE). Quantum mechanical calculations, molecular docking and molecular dynamics (MD) with molecular mechanics Generalized-Born surface area (MM/GBSA) were applied to assess quantitatively differences between the binding energies of acetylcholine (ACh; the natural agonist of AChE) and neurotoxic, synthetic correlatives (so-called “Novichoks”, and selected compounds from the G- and V-series). Several additional quantitative descriptors like root mean square fluctuation (RMSF) and the solvent accessible surface area (SASA) were briefly discussed to give – to the best of our knowledge – the first quantitative in silico description of AChE – Novichok non-covalent binding process and thus facilitate the search for an efficient and effective treatment for Novichok intoxication and in a broader sense - intoxication with other warfare nerve agents as well.

The consumption of fiber in the human diet is a global recommendation to ensure a healthy diet. Quinoa (Chenopodium quinoa Willd.), a gluten-free grain, and chia (Salvia hispanica), a seed, contain high fiber content and both have the potential to be explored in the development of nutraceutical and pharmaceutical formulations. An interesting characteristic of chia is its ability to form viscous mucilage when in contact with water, bringing the prospect of a binder in solid formulations. To produce tablets with a high fiber content, it is more appropriate to transform the material into granules using a wet process, with the help of a tool that exploits this possibility. Therefore, the objective of the present work was to study, using the Mixer Torque Rheometer, the feasibility of using chia as a binder to produce granulated quinoa and the development of chewable tablets. To this end, an experimental design was carried out to evaluate the impact of variables on the rheometer results for subsequent granulation. It was possible to obtain the granulation point for the formulations and after producing the granules, physical tests were carried out in which we noticed improvements in the flow. In the end, a formulation was selected for the development of chewable tablets containing quinoa and chia fibers.

We report a simple and high-performance flexible strain sensor based on liquid metal nanoparticles (LMNPs) on polyimide substrate by laser induced deposition. The LMNPs were prepared by ultrasonic method, and then the femtosecond laser direct writing technology was used to induce the assembly and deposition of the LMNPs to form liquid metal microwires. Laser local sintering enhances the connection between particles, and a wearable strain sensor was fabricated with the high sensitivity as high as 76.18, the good linearity (a correlation coefficient of 0.999) in a wide sensing rage, the fast response/recovery time of 159 ms/120 ms. Attributed to these extraordinary strain sensing performances, the sensor can sense various dynamic strains in real time, monitor both subtle physiological activities and large human motions. It can be adhered to human skin, and well reflect the change of facial expression and realize real-time monitoring of facial expression. And the vocal cord vibration can be detected for speech recognition while the sensor attached to the outside of the throat.

Abstract: The present work evaluates the feasibility of using volcanic fly ash (VFA), generated by the eruption of the Tajogaite volcano on the island of La Palma (Spain) in 2021, as a precursor in the preparation of cementitious materials with different Portland cement (PC) replacement levels (0%, 30%, 70% and 100%), in the absence (Blended Cement, BC) and presence of an alkaline ac-tivator (Hybrid Alkaline Cement, HAC, and Alkaline Cements, AC). Hydration kinetics (isother-mal conduction calorimetry), paste mechanical strengths and reaction products were character-ised by XRD, FTIR, TG/DTG and BSEM/EDX. The results obtained indicate that the strengths de-veloped by the hybrid alkaline cements (HAC) are higher than those of the blended cements (BC), especially at the age of 2 days, where 25 MPa was obtained with the replacement of 70% PC by VFA. Alkaline cements (AC, 100% VFA) prepared with 8M NaOH solution as activator reached 40 MPa after 2 days. It was observed that in all the binders, depending on the initial composition of the binder mixture and the percentage of replacement and/or activator, VFA reacts to form cementitious gels, C-A-S-H and N-A-S-H type, which supports its use as a mineral addition to blended cement or as a precursor in the preparation of alkaline and hybrid alkaline cements.

The utilization of titanium dioxide (TiO2) as a photocatalyst for the treatment of wastewater has attracted significant attention in the environmental field. Herein, we have prepared a NH2-MIL-125-derived TiO2@N-doped C Visible Light Catalyst through an in-situ calcination method. The nitrogen element in the organic connector is released through calcination, simul-taneously doping into the sample, thereby enhancing its spectral response to cover the visible region. The as-prepared TiO2@N-doped C catalyst exhibited preserved cage structure even after calcination, thereby alleviating the optical shielding effect and further augmenting its photo-catalytic performance by increasing the reaction sites between the catalyst and pollutants. The calcination time of the TiO2@N-doped C-450 °C catalyst was optimized to achieve a balance be-tween the TiO2 content and nitrogen doping level, ensuring efficient degradation rates for basic fuchsin (99.7%), Rhodamine B (89.9%), and tetracycline hydrochloride (93%) within 90 minutes.

This study focuses on the synthesis, characterization and study of a new perovskite-type materials as cathode in SOFC. The synthesized doped perovskites have been successfully synthesized with high purity. The electrochemical performance of these materials was extensively examined through the characterization of I-V-P and EIS curves at the three temperatures: 750, 800 and 850 °C. Where it is revealing a substantial reduction of total resistances by approximately 50% and 70%, accom-panied by an impressive increase in power densities by around 200% and 300%, respectively. The cell featuring Sm0.01Sr0.99Fe0.5Co0.5O3 exhibited the most commendable electrochemical properties at each temperature, following closely were Pr0.01Sr0.99Fe0.5Co0.5O3 and La0.01Sr0.99Fe0.5Co0.5O3.

Abstract: Uranium is a toxic radioactive element and is usually found in the environment in hexavalent form. It has become a necessity to remove uranium, which can enter the environment in excessive amounts through nuclear industrial activities, from access waters. Melamine formaldehyde organo clay nano composite foam (MFCNCF) was prepared as a novel adsorbent by hardening with thermal treatment. Structural, crystallographic textural and surface morphological characterization of the prepared adsorbent was made by FTIR and XRD spectroscopic and SEM and HRTEM microscopic techniques. This study aims to investigate the adsorption of U(VI) from aqueous solution by MF organo clay nanocomposite and its dependence on various variables such as initial uranium concentration, adsorption time, adsorbent dosage, initial pH, and temperature. Additionally, adsorption isotherm analysis and adsorption kinetics and thermodynamics were also examined. For this purpose, the batch adsorption experiments were carried out and the equilibrium concentration of U(VI) in the aqueous solution was measured with a UV-Vis spectrophotometer at a wavelength of 433 nm, which corresponds to its maximum absorptivity. The results regarding adsorption kinetics show that 30 min is sufficient to reach adsorption equilibrium and the data show a high fit to the pseudo-second-order kinetic model. Isotherm analysis also revealed a high fit of the data to the Type III isotherm and the Halsey model. Based on this fit, an adsorption mechanism involving two regions (electrostatic and complex formation) was proposed for the current adsorption system. The adsorption isosteric enthalpy and entropy values for the first and second regions are 3.65 and -51.02kJ/mol and 1.77 and -167.28J/mol, respectively. It was found in kmol. Experimental results showed that the prepared nanocomposite foam adsorbent is an effective and potential alternative for the effective removal of U(VI) from aqueous solutions.

Assessment of the environmental impact of organic chemicals has become an important subject in chemical science. Efficient quantitative descriptors of their impact are their partition coefficients logPow, logKoa and logKaw. We present a group-additivity method that has proven its versatility for the reliable prediction of many other molecular descriptors for the calculation of the first two partition coefficients and indirectly of the third with high dependability. Based on the experimental logPow data of 3332 molecules and the experimental logKoa data of 1900 molecules at 298.15K the respective partition coefficients have been calculated with cross-validated standard deviations of only 0.42 and 0.48 log units and a goodness of fit Q^2 of 0.9599 and 0.9717, respectively, in a range of ca. 17 log units for both descriptors. The third partition coefficient logKaw has been derived from the calculated values of the former two descriptors and compared with the experimentally determined logKaw values of 1937 molecules, yielding a standard deviation of 0.67 log units and a correlation coefficient R^2 of 0.9467. This approach enabled the quick calculation of 29462 logPow, 27069 logKoa and 26220 logKaw values for the more than 37100 molecules of ChemBrain's database available to the public.

Currently, active and intelligent packaging have been developed to solve the spoilage problem for rich protein foods during storage, especially by adding anthocyanin extracts. In such film system, the antioxidant and antibacterial properties were dramatically increased by adding anthocyanins. The physicochemical properties were enhanced through interactions between active groups in anthocyanins and reactive groups in polymer chains. Additionally, active and intelligent film could monitor the spoilage of rich protein foods in response to pH change. Therefore, this film could monitor the sensory acceptance, and extending the shelf life of rich protein foods simultaneously. In this paper, the structure and functional properties of anthocyanins, the composite actions of anthocyanin extracts and biomass materials, and their reinforced properties of active and intelligent film were discussed. Also, the applications of this film in quality maintenance, shelf-life extension and quality monitoring for fresh meat, aquatic product and milk were summarized. The film that achieves high stability and continuous release of anthocyanins on demand will become an underlying trend in packaging applications for rich protein foods.

This paper presents a novel cheminformatics approach for the design and synthesis of hydroxyapatite/collagen nanocomposites, which have potential biomedical applications in tissue engineering, drug delivery, orthopedic and dental implants. The nanocomposites are synthesized by the co-precipitation method with different ratios of hydroxyapatite and collagen, and their mechanical, biological, and degradation properties are analyzed using various experimental and computational techniques, such as attenuated total reflection Fourier-transform infrared spectroscopy, X-ray diffraction, thermogravimetric analysis, scanning electron microscopy with energy-dispersive X-ray spectroscopy, and molecular simulation. The antimicrobial activity of the nanocomposites is evaluated in vitro against several bacterial and fungal strains, demonstrating their medical potential. Additionally, in silico analyses are performed to predict the absorption, distribution, metabolism, and excretion properties and the bioavailability of the collagen samples. This work opens new avenues for the development of novel biomaterials using cheminformatics tools and methods, which can facilitate the optimization of the design and synthesis parameters, as well as the prediction of the biological outcomes. Future research directions include the investigation of the biocompatibility and bioactivity of the nanocomposites in vivo, as well as the exploration of other applications and functionalities of these nanocomposites.

The surface configurations of the low-index facets of a set of spinel oxides are investigated using DFT+U calculations to derive surface energies and predict equilibrium nanoparticle shapes via the Wulff construction. Two very different conditions are investigated, corresponding to appli-cation either in heterogeneous catalysis or in electrocatalysis. First, the bare stoichiometric sur-faces of NiFe2O4, CoFe2O4, NiCo2O4, ZnCo2O4 spinels are studied to model their use as high-temperature oxidation catalysts. Second, focusing attention on the electrochemical oxygen evolution reaction (OER), and on the CoFe2O4 inverse spinel as the most promising OER catalyst, we generate systematically surface configurations by adsorbing OER intermediates, and recal-culate surface energies taking into account adsorption and environmental conditions, i.e., ap-plied electrode potential and O2 pressure. We predict that, under OER operating conditions, (111) facets are dominant in CoFe2O4 nanoparticle shapes, in fair agreement with microscopy meas-urements. Importantly, in the OER case we predict a strong dependence of nanoparticle shape upon O2 pressure. Increasing O2 pressure increases the size of the higher-index (111) and (110) facets at the expense of the (001) catalytically active facet, whereas the opposite occurs at low O2 pressure. These predictions should be experimentally verifiable and help define the optimal OER operative conditions.

The article describes the use of microwave irradiation in the synthesis of bis(cyclo carbonate) compounds (BCC) in bulk (without solvent) from carbon dioxide capture using an epoxidized compound - a commercial epoxy resin, and compares this process to the conventional method. CO2 cycloaddition to epoxides is an ecological and efficient method for the formation of bis(cyclic carbonates). Moreover, the introduction of gas into the reaction mixture was carried out at atmospheric pressure with a controlled flow rate, which is advantageous from an economic point of view. Progressive structural changes and the presence of characteristic chemical groups were monitored using attenuated total reflectance infrared spectroscopy with Fourier transform. The obtained crude products were purified to obtain three fractions, which were subjected to detailed structural analysis using FT-IR and 13CNMR. The formation of the main product with two cyclic carbonates was confirmed. The presence of monomers, dimers and trimers in individual fractions as well as their thermal stability were determined, and the molecular masses in individual fractions were determined using gel permeation chromatography (GPC).

Reactions of N‚N'-bis(3-methylpyridyl)oxalamide (L1), N,N’-bis(3-methylpyridyl)adipoamide (L2) and N,N’-bis(3-methylpyridyl)sebacoamide (L3) with tricarboxylic acids and Cu(II) salts afforded {[Cu(L1)(1,3,5-HBTC)]·H2O}n (1,3,5-H3BTC = 1,3,5-benzenetricarboxylic acid), 1, {[Cu1.5(L2)1.5(1,3,5-BTC)(H2O)2]·6.5H2O}n, 2, [Cu(L2)0.5(1,3,5-HBTB)]n (1,3,5-H3BTB = 1,3,5-tri(4-carboxyphenyl)benzene), 3, [Cu4(L3)(OH)2(1,3,5-BTC)2]n, 4, {[Cu3(L3)2(1,3,5-BTB)2]·2.5MeOH·2H2O}n, 5, and {[Cu3(L3)2(1,3,5-BTB)2 ]·DMF·2H2O}n, 6, which have been structurally characterized by using single crystal X-ray crystallography. Complexes 1 – 4 form a 2D layer with the {44.62}-sql topology, a 2D layer with the (4.62)2(42.62.82)-bex topology, a 3-fold interpenetrated 3D net with the (412.63)-pcu topology and a 3D framework with the (410.632.83)(42.6)2(43.63) topology, respectively, whereas 5 and 6 are 3D frameworks with the (63)2(64.82)(68.85.102) topology. Complex 5 shows a better iodine-adsorption factor of 290.0 mg g-1 at 60 oC for 360 minutes than the other ones, revealing that the flexibility of the spacer ligand governs the structural diversity and the adsorption capacity.

Cathode materials play a key role in the development and application of lithium-ion batteries, but the unfavorable factors such as structural phase transformation and low conductivity in the cycling process restrict the further improvement of battery performance, so the development and modification of high-performance cathode materials is a current research hotspot. LiNixCoyMn1-x-yO2(x≥0.6), a high-nickel cathode material, has the advantages of high platform potential, high energy density and low cost, and is an ideal material to achieve the goal of 300 Wh kg-1 and above for batteries. However, its poor thermal stability, poor interface stability, safety and life cannot meet the requirements of current power batteries. In this paper, the research status of high-nickel cathode materials is introduced, including bulk doping and surface coating, and the modification method of doping and coating integration is also introduced. Finally, we put forward the prospect of the future development trend of high-nickel cathode materials.

Polyethyleneimine (PEI) has been reported to have good potential for the adsorption of metal ions. In this work, PEI was covalently bound to NiFe2O4@SiO2 nanoparticles to form the new adsorbent NiFe2O4@SiO2–PEI. The material allowed magnetic separation and was characterized via powder X-ray diffraction (PXRD), field emission scanning electron microscopy (FE-SEM), energy-dispersive X-ray spectroscopy (EDX), Fourier-transform IR spectroscopy (FT-IR), and thermogravimetry-differential thermal analysis (TGA-DTA). The adsorption of CrO42‒, Ni2+, and Pb2+ ions from aqueous solutions was studied at different pH, temperatures, metal ion concentration, and adsorbent dosage. Maximum adsorption capacities of 149.23, 156.68, and 161.25 mg/g were obtained for CrO42‒, Ni2+, and Pb2+, respectively under optimum conditions using 0.075 g of the adsorbent material 250 mg/L ion concentration, at pH = 6.5 and room temperature.

Membrane processes, such as microfiltration, ultrafiltration, and nanofiltration are increasingly used for various applications in both upstream and downstream processing. Membrane-based processes play a critical role in the field of separation/purification of biotechnological products, including protein production/purification. The possibility of using membranes to separate peptides from a chicken byproduct hydrolysate and the effect of the performed downstream processing on the DPP-IV inhibitory activity of MDCR (mechanical deboning chicken residue) has been investigated. The chicken byproduct hydrolysate was prepared by enzymatic hydrolysis followed by MF, UF, NF, and RO separation. The LC-OCD analysis confirmed that NF and RO would retain the bioactive peptides in the concentrate in comparison to MF and UF. Bioactivity was correlated with molecular weight distribution profiles and average molecular weights. Permeates after ultrafiltration showed an IC50 value of 0.75 mg/mL, comparable to other potent DPP-IV inhibitors derived from various food sources, and significantly more potent compared to the microfiltration sample, which showed an IC50 value of 1.04 mg/mL. The average molecular weight of the permeates calculated from the SEC chromatograms was 883 g/mol for UF and 1437 g/mol for MF. Of the four membranes studied, the UF membrane showed the best separation properties with respect to maximizing the yield and up-concentration of the bioactive peptides. Overall, UF was demonstrated to be a feasible technology for the removal of the undesired high molecular weight substances and up-concentration of small molecular weight bioactive peptides from chicken byproduct hydrolysate.

We used ab initio molecular dynamics simulations to compare the activation of 2-propanol on the low index Co3O4 (111), (110) and (001) surfaces in dry conditions. The thermal and surface assisted decomposition of a film of 2-propanol to 2-propoxide on the B-termination of each surface was monitored and analyzed. The investigations suggest an activity order of Co3O4 (111) > (110) > (001). On the B-terminated (111) surface, full dissociation of all 2-propanol molecules at the interface is observed, accompanied by a Mars-van Krevelen-type mechanism upon hydroxylation of the surface. On the (110) surface, 2-propanol dissociation is driven by temperature, which activates the two-fold coordinatively unsaturated surface oxygens. The (001) surface on which almost no dissociation occurs is the least active. No formation of acetone is observed in the simulations conditions.

The fine structure of Apricot pectin polysaccharides is discussed from both literature and recent work we have performed. Structural characterization utilized 1D and 2D homo- and hetero-nuclear NMR spectroscopy including results from High Performance Size Exclusion Chromatography (HP-SEC), HP Anion-Exchange Chromatography with Pulsed Amperometric Detection (HPAEC-PAD) and FTIR spectroscopy. The purified pectin fraction (F1AP) was found to be composed of D-galacturonic acid, L-rhamnose, D-arabinose and D-galactose in a 1.0 : 0.1 : 0.36 : 0.12 molar ratio, respectively, which is consistent with a pectin RG-1 branched with arabinogalactan side chain polysaccharides, and has a weight-average molecular weight of approximately 1588.2 kDa. The slope of the hydrodynamic radius versus the molar mass was 0.57, indicating the presence of coil conformations. The results from HPAEC-PAD, HPSEC and NMR spectroscopy (1H, 13C, zTOCSY, HSQC, HSQCTOXY and HMBC) demonstrated that F1AP fine fraction F1AP1, derived from original F1AP, has a backbone of (1→4)-linked -D-galacturonic acid and -L-rhamnopyranosyl residues branched with arabinogalactan of multiply glycosidic linkages of T- α-Araf, 3-α-Araf, 5-α-Araf, T- α -Arap, 2- α-Arap side chains, having methyl and acetylated groups, and has high molecular weights (1945 kDa). While the other F1A6 fraction consists predominately of an HG region of pectin polysaccharides with low molecular weights (117.5 kDa), less aggregated. The F1AP1 polysaccharide was highly viscous and its hydrodynamic radius was 64,3 nm. The exponent b of Rh-Mw (conformation plot) was determined to be 0.48, indicating a compact flexible coil conformation of the macromolecule in solution. However, the F1AP6 fraction of apricot fruits belong to backbone of repeats units of [-(1→4)-α-D-GalpA-1]n – both HG and partly contents RG-II polysaccharides, bearing heterosugar sidechains, including α-Ara, α -Rha and β-Gal residues and adopt more stiffness rod like conformation.

Boron carbide (B4C) powders with defined stoichiometry, high crystallinity, minimal impurity content, and a fine particle size are imperative for realizing the exceptional properties of this compound in advanced high-technology applications. Nevertheless, achieving the desired stoi-chiometry and particle size using traditional synthesis methods, which rely on prolonged, high-temperature processes, can be challenging. The primary objective of this study is to syn-thesize fine B4C powders characterized by high crystallinity and a sub-micron particle size, em-ploying a fast, and energy-efficient method. B4C powders are synthesized from elemental boron and carbon in a high-frequency induction heating furnace using the Electromagnetic Induction Synthesis (EMIS) method. The rapid heating rate achieved through contactless heating promotes the ignition and propagation of the exothermic chemical reaction between boron and carbon. Additionally, electromagnetic effects accelerate atomic diffusion, allowing the reaction to be completed in an exceptionally short timeframe. The grain size and crystallinity of B4C can be finely tuned by adjusting various process parameters, including the post-ignition holding temperature and the duration of heating. As a result, fine B4C powders can be synthesized in under 10 minutes. Moreover, these synthesized B4C powders exhibit high resistance to oxidation when exposed to air.

The article presents a hybrid method for calculating the chemical composition of steel with the required hardness after cooling from the austenitizing temperature. Artificial neural networks and genetic algorithms were used to develop the model. Based on 550 diagrams of continuous cooling transformation (CCT) of structural steels available in the literature, a dataset of experimental data was created. Artificial neural networks were used to develop a hardness model describing the relationship between the chemical composition of the steel, the austenitizing temperature, and the hardness of the steel after cooling. A genetic algorithm was used to identify the chemical composition of the steel with the required hardness. The value of the objective function was calculated using the neural network model. The developed method for identifying the chemical composition was implemented in a computer application. Examples of calculations of mass concentrations of steel elements with the required hardness after cooling from the austenitizing temperature are presented. The model proposed in this study can be a valuable tool to support chemical composition design by reducing the number of experiments and minimizing research costs.

A new polymorph of anhydrous β-cyclodextrin (polymorph III) was obtained and characterized for the first time using powder X-ray diffraction, infrared spectroscopy and thermal analysis. Solution enthalpy and time of dissolution in water were determined by solution calorimetry for this polymorph and compared with those of dried commercial form of β-cyclodextrin (polymorph I), its amorphous form and 2-hydroxypropyl-β-cyclodextrin. Specific heat capacity of polymorphs I and III was determined by differential scanning calorimetry in the wide range of temperatures, which gives enthalpy and Gibbs energy of polymorphic transition at 298 K. Affinity of polymorph III and 2-hydroxypropyl-β-cyclodextrin for water was characterized by determination of their hydration isotherms, which gives the values of hydration Gibbs energy. Being energy-rich, the found new polymorph of β-cyclodextrin has a significantly higher dissolution rate and an in-creased affinity for water compared with the dried commercial form of β-cyclodextrin. Such properties make the new polymorph promising in industrial applications for guest inclusion in aqueous solutions and pastes and may be a desirable alternative for water-soluble β-cyclodextrin derivatives.

In recent years, cancer therapy has witnessed significant advancements, with a focus on personalized and targeted treatment strategies. One promising approach involves the use of stimuli-responsive biomaterials for site-specific drug release. Among these biomaterials, pH, and redox-triggered polymer-nano composites have gained immense attention due to their ability to respond to the specific tumor microenvironment, enhancing therapeutic efficacy while reducing off-target effects. Cancer cells often exhibit anomalous biochemical properties, attributed to lower cytosolic pH (acidic) and elevated redox potential through the epitomized upregulation of undesired genes. Such biological process substantially imbalance the level ions (protons) and biological thiols glutathione (GHS) in the cytoplasm as well as in the subcellular organelles. Superfluous accumulation of ions and redox imbalance is associated with proliferation, invasion, and growth of tumor. Because of high surface area, deep tissue penetration capability, higher hydrophilicity, hydrophobic interior for drug/gene efficient loading, biocompatibility and site-specific targeting efficiency, functionalized polymer nanocomposites are superior to conventional small molecular materials. Paradoxically conventional methods of drug delivery aided therapeutics accompanied with inherent drug/genes are encapsulated in biocompatible carrier or suitable transfecting agents generally suffered with low bioavailability, uncontrolled drug release, low cellular penetration, cellular internalization, toxicity, and poor drug loading efficiency. To overcome these issues, recently various multifunctional nanomaterials were developed, based on synergistic stimuli responsive aided drug release in a specified cellular or subcellular system. High therapeutic efficacy, of nanoparticles (NPs) mainly associated with surface functionalization through biocompatible polymeric materials, site-specific targeting units accompanied with stimuli responsive components. Followed by therapeutically important drug or genetic materials were loaded into NPs either in covalent or non-covalent approach. Intriguingly, combined pH and redox dual stimuli based functional materials specially based on polymeric nanocomposites for cancer therapeutics scarcely reported. This article provides the recent progress in pH and redox-responsive polymer-nano composites for site-specific drug delivery in cancer therapy. It explores design principles, fabrication methods, mechanism of action, and prospects of these dual-stimuli responsive biomaterials.

This study presented a novel and sustainable method for producing chitin nanocrystals (PA-ChNCs) using phosphoric acid hydrolysis. The produced PA-ChNCs were used as stabilizers for Pickering emulsions and their physicochemical properties as well as stabilization mechanisms were systematically investigated. The PA-ChNCs exhibited small particle sizes and high surface areas, enabling an effective adsorption at the oil/water interface, which prevented coalescence in Pickering emulsions. The particle size and surface charge PA-ChNCs were strongly pH-dependent, which were critical factors for stabilizing Pickering emulsions. The study showed that emulsions with higher O:W ratios (50%) exhibited larger droplets but greater viscosity, forming a stable gel-like matrix that was more stable than emulsions with other O:W ratios after storage for 30 days. Emulsions with higher PA-ChNCs concentrations (2.0 wt%) and higher pH values (pH 10) showed small droplets and high viscosity, leading to stable emulsions. This research contributes to the development of sustainable and effective emulsifiers for use in the food industry, making utilization of seafood waste in an eco-friendly manner possible. Overall, this study highlights the potential of using newly developed PA-ChNCs as stabilizers for Pickering emulsions in food products.

Cobalt-doped alumina catalysts were prepared by different methods, applying either the conventional wet impregnation (WI) and/or the advanced spray impregnation (SI), and evaluated as novel oxidation catalysts for CO and MeOH oxidation. The spray impregnation technique aims towards the synthesis of core-shell catalytic nanostructures to secure chemical/thermal stability of the active sites on the catalyst carrier. The catalysts were further promoted with low Pd content (0.5 wt.%) applying either incipient wetness impregnation (DI) or spray impregnation. The results revealed the superior performance of spray impregnated catalysts (Co/γ-Al2O3-SI) for both reactions. The deposition of Co oxide on the outer surface of the alumina particle (SEM images) and the availability of the active Co phase, resulted in the enhancement of Co/γ-Al2O3 catalysts oxidation activity. Pd incorporation increased catalysts reducibility (TPR-H2) and improved the catalysts performance for both reactions. However, Pd incorporation method affected the catalytic performance; as with the SI method the active phase of Co3O4 was probably covered from PdO and was not available for the oxidation reactions. On the contrary, the incorporation of Pd with the DI method resulted in better dispersion of PdO all over the Co/Al catalyst surface, maintaining available Co active sites and better Pd-Co interaction. MeOH desorption studies revealed the methanol oxidation mechanism; Co/Al catalysts promote partial oxidation of MeOH to formaldehyde (HCHO) and dehydration to dimethyl ether (DME), while Pd-based Co/Al catalysts enhance the complete oxidation of methanol to CO2 and H2O.

Hybrid materials derived adsorbents have showed a great applicable efficiency in various fields including industrial uses and environmental remediation. Herein, the zinc oxide nanoparticles anchored carbon (ZnO-C) is fabricated and utilized for wastewater treatment by adsorption of Zn(II), Cd(II), Co(II) and Mn(II). The surface and structural characteristics are examined by TEM, SEM, XRD, FTIR, EDS and BET surface area. The Kinetics and equilibrium investigations are applied to optimize the adsorptive removal of Zn(II), Cd(II), Co(II) and Mn(II) onto ZnO-C. Results indicated formation of ZnO-C in crystalline spherical granules with nano-size between 29.3 and 48.8 nm. In addition, the spherical granules are gathered to form clusters. The FTIR indicated that the ZnO-C surface is rich with OH groups and ZnO. The adsorption capacity is reported as 212, 209, 200 and 230 mg/L for Zn(II), Cd(II), Co(II) and Mn(II) respectively. The optimum condition for maximum adsorption were pH between 5 and 6, contact time of 180 min and adsorbent dose of 0.1 g/L. The adsorptive removal data modeling for uptake of Zn(II), Cd(II), Co(II) and Mn(II) onto ZnO-C showed agreement with the assumption of pseudo 2nd order kinetic model and Freundlich isotherm suggesting fast adsorption rate and multilayer mechanism. The achieved adsorption capacity using the prepared ZnO-C is more effective compared to ZnO, carbon, Fe3O4 and Fe3O4-C. Real wastewater samples are applied including valley water, industrial wastewater and rain wastewater and evaluated for applicable uptake of Zn(II), Cd(II), Co(II) and Mn(II) using ZnO-C and Fe3O4-C with high efficiency.

This paper described a crystallization procedure of the “1-Octadecanol/n-Nonadecane” binary system, an accurate description of the phase change process and the associated analysis of the cooling and melting of this binary system between 20 and 70 degrees Celsius. The introduction section mainly describes the scientific background and principle of plant cuticle wax layer and the former studies on the crystallization of n-Alkanes and n-Alkanols. The experiment part introduces the experimental chemicals, instruments and specific experimental operating procedures required for the preparation of the “1-Octadecanol/n-Nonadecane” binary system. In the following sections, the thermal properties of this binary system are studied. According to the DSC diagram, phase diagrams and absorption spectrum, the specific phase transition and enthalpy of each phase transition were studied. The cooling and heating phase diagrams were plotted. The influence of the different compositions of these two chemicals was analyzed and discussed. The last part is the conclusion of this thesis, which summarizes the experimental research results of the complete text and points out the needed further research.

The present review revisits representative studies addressed to develop efficient carbon-based heterogeneous catalysts for two important reactions, namely, the production of hydrogen from formic acid and the hydrogenation of carbon dioxide to formic acid. The HCOOH-CO2 system is considered a promising couple for a hydrogen storage system that would be involved in an ideal carbon-neutral cycle. Significant advancements have been achieved in those catalysts designed to catalyze the dehydrogenation of formic acid under mild reaction conditions, while much effort is still needed to catalyze the challenging CO2 hydrogenation reaction. The design of carbon-based heterogeneous catalysts for these reactions encompasses both the modulation of the properties of the active phase (particle size, composition, and electronic properties), as well as the modification of the supports by means of incorporation of nitrogen functional groups. These approaches are herein summarized to provide a compilation of the strategies followed in recent studies to set the basis for a hydrogen storage system attained by the HCOOH-CO2 couple.

Layered double hydroxides (LDHs) have emerged as promising catalysts for various acid-base catalytic reactions. Due to their unique structure and regulatable dual acid-base properties, they offer more environmentally friendly and sustainable alternatives to traditional liquid acid and base catalysts. This study introduces the structural composition, preparation methods, and acid-base catalytic properties of LDHs-based catalysts. Recent application progress of LDHs and rehydrated LDHs, LDHs-based metal nanocatalysts, and LDHs-based mixed metal oxide catalysts used as solid acid-base catalysts in acid-base green catalytic conversion is reviewed. The challenges and prospects of LDHs-based catalysts as green and sustainable catalysts are summarized and proposed.

Magnetic permeability (μ), dielectric permittivity (ε) and electrical conductivity (σ) of the six elastomer samples obtained by mixing silicone rubber (RTV-530) with a kerosene-based ferrofluid in different volume fractions, φ: 1.31%, 2.59% and 3.84%, were determined using the complex impedance measurements, over the frequency range (500 Hz-2 MHz). Three samples (A0, B0 and C0) were manufactured in the absence of a magnetic field and the other three samples (Ah, Bh and Ch) in the presence of the magnetic field, H=43 kA/m. The component μ″ of the complex magnetic permeability of all samples presents a maximum, at a frequency fmax, which moves to higher values by increasing, φ, this maximum being attributed to Brownian relaxation processes. The conductivity spectrum, σ(f) for all samples, follows the Jonscher universal law, which allows both the determination of the static conductivity σDC, and the barrier energy of electrical conduction process, Wm. For the same φ, Wm is lower and σDC is higher in the samples Ah, Bh and Ch than in the samples A0, B0 and C0. The performed study is useful in manufacturing elastomers with predetermined properties and for possible applications, such as magneto-dielectric flexible electronic devices, which can be controlled by the volume fraction of particles or by an external magnetic field.

: Oscillation synchronization through diffusion-based communication of active materials can lead to emergence of diverse patterns and collective behaviors. A detailed general description of the formation process of synchronization or resynchronization dynamics is a challenging task. We employ a photosensitive Belousov-Zhabotinsky reaction-diffusion model (within a gel media) to investigate the recovery process of oscillation synchronization between a pair of gel patches. The recovery time for oscillation resynchronization can be modulated by patch-distance, species of signaling molecules, intensity and duration of illumination. Analysis reveals that the “switch effect” of the gel-distance and the “promotion effect” from illumination on the oscillation resynchronization originate from the competition between processes of photo-promotion of oscillation, diffusion of signaling molecules (HBrO2 and Br-) and disproportionation of HBrO2. These results will benefit studies on bio-inspired active materials and soft motors.

The accumulation of microorganisms, plants, algae, or small animals on wet surfaces that have a mechanical function causes biofouling, which can result in structural or other functional deficiencies. The maritime shipping industry must constantly manage biofouling to optimize operational performance, which is a common and long-lasting problem. It can occur in any metal structure in contact or submerged in ocean water, which represents additional costs in terms of repairs and maintenance. This study is focused on the production of antifouling coatings, made with nanoparticles of copper selenide (CuSe) modified with gum arabic, within a water-base acrylic polymeric matrix. During the curing of the acrylic resin, the CuSe NPs remain embedded in the resin but this does not prevent the release of ions. The coatings presented to release copper and selenium ions for up to 80 days, selenium was the element that was released the most. The adhesion of film coatings to metallic substrates showed good adhesion, scale 5B (ASTM D3359 standard). Antimicrobial activity tests show that the coatings have an inhibitory effect on Escherichia coli and Candida albicans. The effect being more noticeable when the coating is detached from the substrate and placed on a growing medium, than compared to the coating on a substrate. Scanning electron microscopy (SEM) observations show that nanostructured CuSe coatings are made up of rod-shaped and spherical particles whose range ranges from 12 to 25 nm. The Energy Dispersive X-ray spectroscopy (EDS) studies showed that the ratio of selenium nanoparticles is greater than that of copper and that their distribution is homogeneous

Monometallic (Ni, Co, Cu) and bimetallic (Ni-Co, Ni-Cu) 10-20 wt. % metal containing catalysts supported on fly ash zeolite were prepared by post-synthesis impregnation method. The catalysts were characterized by X-ray powder diffraction, N2 physisorption, XPS and H2-TPR methods. Finely dispersed metal oxides and mixed oxides were detected after the decomposition of impregnating salt on the relevant zeolite support. By reduction intermetallic, NiCo and NiCu phases were identified in the bimetallic catalysts. Hydrogeoxygenation of lignocellulosic biomass-derived levulinic acid to γ-valerolactone (GVL) was studied. Bimetallic, 10 wt. % Ni, 10 wt. % Cu or Co containing fly ash zeolite catalyst showed higher catalytic activity than monometallic ones. Their selectivity to GVL reached 70-85 % at 100 % conversion. The reaction proceeds through formation of 4-hydroxy pentanoic acid, as the only intermediate compound.

The article discusses the main technologies for processing titanium-containing raw materials, and the advantages and disadvantages of various technological solutions. The analysis of the literature review showed that the traditional schemes for the production of titanium products are mainly focused on the use of ilmenite concentrates. In connection with the depletion of ilmenite deposits, in the near future there will inevitably be a need to switch to the use of complex ores - titanomagnetites. The obtaining of titanium dioxide from titanomagnetite raw materials with a high content of impurity components requires an individual approach for each specific deposit. It is proposed to consider the possibilities of further improvement of the development of a technological process for low-temperature (1000-1200 oC) processing of titanomagnetite concentrates with the production of pure titanium dioxide.

The paper covers the development of formulations and technology for low energy building materials based on the alkaline alumino-silicate binder and appropriate for special purposes. The microstructure of the binder was investigated using scanning electron microscopy and atomic force microscopy. The identification of the phase compositions was done by means of X-ray diffraction. By leach rate measurement and chemical analysis of pore liquid, the linkage of the alkali metal ions in water-insoluble composites was researched. The dependence of structure formation on mix design and curing conditions was investigated. Specific examples of manufacture and application of binder-based glues and adhesives have been considered, incl. ones for low-temperature insulating composite materials, heat insulation perlite-based materials, heat insulation of industrial boilers, and the fire resistant heat insulating system. The advantages of the binder-based temperature insulating composites compared to traditionally used ones are shown.

2-Pyridone ligand-facilitated palladium-catalyzed direct C–H bond functionalization via the transient directing group strategy has become an attractive topic. Here we report a Pd-catalyzed direct β-C(sp3) –H arylation reaction of tertiary aliphatic aldehydes by using an α-amino acid as a transient directing group in combination with a 2-pyridone ligand.

Metal complexes of mesoionic carbenes (MICs) of the triazolylidene-type and their derivatives have gained increasing attention in the fields of electrocatalysis and photochemistry. The redox-activity of these metal complexes is critical for their applications in both the aforementioned fields. Easy accessibility and modular synthesis open a wide field for the design of ligands, such as bidentate ligands. The combination of a MIC with a pyridyl unit in a bidentate ligand setup increases the π-acceptor properties of the ligands while retaining their strong σ-donor properties. The analogy with the well-established 2,2'-bipyridine ligand allows conclusions to be drawn about the influence of the mesoionic carbene (MIC) moiety in tetracarbonyl group 6 complexes in cyclic voltammetry and (spectro-)electrochemistry (SEC). However, the effects of the different connectivity in pyridyl-MIC ligands remains underexplored. Based on our previous studies, we present here a thorough investigation of the influence of the two different pyridyl-MIC constitutional isomers on the electrochemical and the UV-vis-NIR/IR/EPR spectroelectrochemical properties of group 6 carbonyl complexes. Moreover, the presented complexes were investigated for the electrochemical conversion of CO2 using two different working electrodes, providing a fundamental understanding of the influence of the electrode material in the precatalytic activation.

This paper constitutes an original and new methodology for the determination of the surface properties of carbon fibers in the two oxidized and untreated forms by inverse gas chromatography technique at infinite dilution based on the effect of the temperature on the surface area of the various organic molecules adsorbed on the carbon fibers. The studied thermal effect proved a large deviation of the classical methods or models relative to the new determination of the surface properties of carbon fibers, such as the dispersive component of their surface energy, the free surface energy, the free specific energy, the enthalpy and entropy of adsorption of molecules on the carbon fibers. The obtained specific enthalpy and entropy of adsorption for the polar solvents led to the determination of the Lewis’s acid-base constants of carbon fibers. Different molecular models and chromatographic methods were used to quantify the surface thermodynamic properties of carbon fibers and compared to the thermal model. The obtained results proved that the oxidized carbon fibers gave more specific interaction energy and greater acid-base constants than that of the untreated carbon fibers and thus highlighting the important role of the oxidization on the acid-base of fibers. The determination of the specific acid-base surface energy of the two carbon fibers showed greater values of the oxidized carbon fibers relative to the untreated carbon fibers. An important basic character was highlighted for the two studied carbon fibers, larger than the acidic character. It was observed that the Lewis’s acid-base constants of the oxidized carbon fibers are larger than that of the untreated fibers with more accentuated basic charterer. This result was confirmed by all molecular models and chromatographic methods.

Plastics have recently become an indispensable part of everyone's daily life due to their versatility, durability, light weight and low production costs. The increasing production and use of plastics poses a great danger due to the very long period of degradation, but also the negative impact on living organisms. Decomposing plastics lead to the formation of microplastics, which accumulate in the environment and living organisms becoming part of the food chain. Polyvinyl chloride (PVC) contamination of soil and water seriously threatens ecosystems around the world. The durability and low weight make microplastic particles easily transported with water or air and end up in the soil. Thus, the problem of microplastic pollution affects the entire ecosystem. Since microplastics are commonly found in both drinking and bottled water, humans are also exposed to the harmful effects of microplastics. Because of the existing risks associated with PVC microplastic contamination of the ecosystem, intensive research is underway to develop methods to clean and eliminate it from the environment. Pollution of the environment with plastic, especially microplastic, results in the reduction of both water and soil resources used for agricultural and utility purposes. This review provides an overview of PVC's environmental impact and disposal options.

In view of the diminishing contribution of natural products from plants to the discovery of new chemical structures, the aim of this study was to compile the articles from 2021 to 2022, assessing: (1) which classes of compounds these new structures belong to; (2) which plants and families these compounds belong to and (3) assessing the degree of novelty of the compound with an already known structure. The review was elaborate following the Preferred Reporting Items for System-atics Reviews and Meta-analyses (PRISMA) statement checklist for guide reporting of systematic reviews. A total of 464 articles were selected for the new compounds of natural origin survey. We included 117 complete articles in this review and reported approximately 109 new structures elucidated during the years 2021 and 2022. Many of the compounds showed small structural var-iations in relation to already known molecules. For some, however, this small modification was decisive for the biological activity reported, demonstrating the importance of descriptive phytochemical studies.

Chicken collagen is a promising raw material source to produce gelatins and hydrolysates. Gelatins and hydrolysates can be prepared biotechnologically using proteolytic enzymes produced by submerged fermentation of genetically modified microorganisms. By choosing the appropriate process conditions, such changes can be achieved at the molecular level of collagen, making it possible to prepare products with targeted properties for advanced cosmetic, pharmaceutical, medical or food applications. The research aims to investigate: i) antioxidant activity (DPPH and ABTS) in model samples of chicken collagen products (gelatin and hydrolysates); ii) distribution of molecular weights by the GPC-RID analysis method; iii) functional groups and configuration of polypeptide chains related to molecular level properties using FTIR; iv) the microbiological properties on SDA, PCA, TSA and VRBL microbial populations using MALDI method. Antioxidant activity towards ABTS radicals of more than 80% was found for all samples. The molecular weights of all gelatin samples showed typical α- and β-chains. FTIR analysis confirmed that the samples showed all typical vibrational regions for collagen cleavage products, Amide A and B, Amide I, II, and III at characteristic values. Microbiological analysis of the prepared samples showed no undesirable bacteria that would limit advanced applications of the prepared products. Gelatins and hydrolysates from chicken stomachs represent a promising alternative to products made from standard collagen tissues of terrestrial animals.

The importance of oxygen role during aging process of wine has been long known. Many articles evaluating oxygen inlet for different wine stoppers have been published. However, none of these have studied the impact of the natural cork stoppers production process over oxygen inlet. At the moment, a standardized methodology widely accepted for measuring the oxygen transfer rate (OTR) and/or oxygen permeability of the stopper does not exist. Thus, this article is focused on the aging process (the final phase of the winemaking) and aims to test how some production process of natural cork stoppers impact on the stoppers permeability using chemiluminescence methodology and how also this affects wine ageing. In this study it has been seen that some of its processes such as the application of a surface treatment modify the permeability of the stopper. Surface plays an important role in the corks stoppers production and allows an easier insertion and extraction of the stopper into the bottle, avoiding leaks and homogenizing the stoppers. It was shown that the cork stoppers sample with surface treatment 1 had three times higher oxygen transfer rate than the cork stoppers sample with surface treatment 2 after one year of evolution. The two groups of stoppers had the same in terms of dimensions, density, visual class, batch and manufacture, the only difference between them was the surface treatment used. A red wine was corked with these two types of cork stoppers and its evolution was monitored up to 30 months of ageing. Differences were observed in the evolution of the wines both in certain oenological parameters such as the free SO2, the colour and the evolution of the polyphenols as well as at the sensory level. The wine corked with the stoppers of treatment 1 presented a faster evolution and a higher valuation in the sensory tastes of months 12th, while from the 18th month it presented an over evolution, and the score was below that of the wine with the corks of treatment 2.The data collected in this study shows that the differences observed with the chemiluminescence methodology of cork permeability test at a laboratory level are transferred to wine at the cellar. Therefore, it paves the way to standardize chemiluminescence as a methodology for permeability testing of cork stoppers. This opens a new field for the regulation of the permeability of natural cork stoppers by type of surface treatment applied.

3D Printing (3DP) technology has revolutionized the field of the use of bioceramics for maxillofacial and periodontal applications, offering unprecedented control over the shape, size, and structure of bioceramic implants. In addition, bioceramics have become attractive materials for these applications due to their biocompatibility, biostability, and favorable mechanical properties. However, despite their advantages, bioceramic implants are still associated with inferior biological performance issues after implantation, such as slow osseointegration, inadequate tissue response, and increased risk of implant failure. To address these challenges, researchers have been developing strategies to improve the biological performance of 3D printed bioceramic implants. The purpose of this review is to provide an overview of 3DP techniques and strategies for bioceramic materials designed for bone regeneration. The review also addresses the use and incorporation of active biomolecules in 3D printed bioceramic constructs to stimulate bone regeneration. By controlling the surface roughness, and chemical composition of the implant, the construct can be tailored to promote osseointegration and reduce the risk of adverse tissue reactions. Additionally, growth factors, such as bone morphogenic proteins (rhBMP-2) and pharmacologic agent (dipyridamole), can be incorporated to promote the growth of new bone tissue. Incorporating porosity into bioceramic constructs can improve bone tissue formation and the overall biological response of the implant. As such, by employing surface modification, combining with other materials, and incorporation of 3DP workflow can lead to better patient healing outcomes.

The enormous potential of renewable bioresources is expected to play a key role in the development of the EU’s sustainable circular economy. In this context, inexhaustible, biodegradable, non-toxic and carbon-neutral forest-origin resources are very attractive for the development of novel sustainable products. The main structural component of wood is cellulose, which, in turn, is the feedstock of nanocellulose, one of the most explored nanomaterials. Different applications of nanocellulose have been proposed, including packaging, functional coatings, insulating materials, nanocomposite fields among others. However, the intrinsic flammability of nanocellulose restricts its use in some industries where fire risk is a concern. This paper overviews the most recent studies of the fire resistance of nanocellulose-based materials, focusing on thin films, coatings and aerogels. Along with effectiveness, increased attention to sustainable approaches is considered in developing novel fire-resistant coatings. The great potential of bio-based fire-resistant materials, combined with conventional non-halogenated fire retardants FRs, has been established. The formulation methods, types of fire retardants and their action modes, and methods used for analysing fire retardancy are discussed in the frame of this overview.

The COVID-19 pandemic caused by the virus SARS-CoV-2 has been the greatest global threat to human health in the last three years. The most widely used methodologies for the diagnosis of COVID-19 are quantitative reverse transcription polymerase chain reaction (RT-qPCR), used to detect the viral genome, and rapid antigen tests (RATs), also known as lateral flow tests, that employ specific antibodies to detect the viral spike protein. While PCR is considered the gold standard test in terms of specificity and sensitivity, it is time-consuming and requires specialized instrumentation operated by skilled personnel. In contrast, RATs can be used in-home or at point-of care but are less sensitive leading to a higher rate of false negative results. An alternative methodology for the detection of virus is the use of electrochemical biosensors that employ disposable strip electrodes to which binding of viral components elicits a change in electrical signal. Laser-scribed graphene (LSG) electrodes are attractive candidates for use as biosensors electrodes suitable for SARS-COV-2 detection due to their low-cost, patternability and ease of fabrication. In this work, we describe the development of a biosensor for COVID-19 detection that exploits a split-ester bond ligase system (termed ‘EsterLigase’) for immobilization of a virus-specific nanobody to maintain the out-of-plane orientation of the probe to ensure the efficacy of the probe-target recognition process. An anti-spike VHH E nanobody, genetically fused with the EsterLigase domain, was used as the specific probe for the spike receptor-binding domain (SP-RBD) protein as the target. The recognition between the two was measured by the change in the charge transfer resistance, determined by fitting the electrochemical impedance spectroscopy (EIS) spectra. The developed LSG-based biosensor achieved a linear detection range for the SP-RBD from 15 pM to 150 nM with a sensitivity of 0.0866 [log(M)]-1 and a limit of detection (LOD) of 7.68 pM.

Natural fibers have attracted increasing interest as an alternative to produce environmentally friendly and sustainable materials. Particularly, hemp fibers have revealed to be widely used in various industrial applications due to their extremely unique properties. However, hemp can generate a large amount of agro-waste, and results in an attractive source of biopolymers for the development of low-cost materials in alternative to the raw materials and conventional petroleum-based plastics. In addition, deep eutectic solvents (DESs), a new type of truly green solvents, have been tested to remove gums, lignin, and other non-cellulosic components from hemp fibers. Reusing these components dissolved into the DESs to fabricate new materials directly by electrospinning is a very attractive but still unexplored endeavor. Thus, this innovative research to venture new upcycling pathways is focused on the fabrication of composite nanofibers by electrospinning of a gel-based blend of Poly(vinyl alcohol) (PVA) and hemp agro-waste (HW) dissolved into choline chloride (ChCl) : Glycerol (1:2) and ChCl : Urea (1:2) DES mixtures. The results obtained revealed that the produced nanofibers displayed uniform appearance with diameters ranging from 257.72 ± 65.63 nm to 380.78 ± 133.98 nm. In addition, the mechanical properties of the electro-spun composite nanofibers produced from the gel-based blends of HW dissolved in DESs and PVA (HW-DESs_PVA) were found to be superior, resulting in an enhanced tensile strength and Young’s modulus. Furthermore, the incorporation of HW into the nanofibers was able to provide bioactive antioxidant and antibacterial properties. Overall, this study demonstrated a promising, more sustainable, and eco-friendly way to produce electrospun composite nanofibers using HW in a circular economy perspective.

A new method for the synthesis of azido-propargyloxy derivatives of 1,3,5-triazine has been developed. The antibacterial activity against E. coli bacteria of propargyloxy substituted 1,3,5-triazines - 2,4,6-trispropargyloxy-1,3,5-triazine, 2-azido-4,6-bispropargyloxy-1,3,5-triazine and 2,4-diazido-6-propargyloxy-1,3,5-triazine and their hyperbranched polymers. It has been shown that the presence of an azide group in the compound directly affects the antibacterial activity. The cytotoxicity of these compounds against the M-HeLa, FetMSC and Vero cell lines was studied. The IC50 value was determined for low molecular weight compounds. It has been shown that hyperbranched polymers without azide groups don’t exhibit pronounced cytotoxicity and can be used in biomedical applications.

A significant amount of data is available for bench-scale fire assessments. However, there is little surrounding large-scale tests and even less so for bench-to-large scale comparisons. Large-scale tests require more material, time and preparation, making them more expensive than bench-scale assessments. However, large-scale testing is an essential component to bench-scale fire testing. The bench-scale tests must be representative of both large-scale and real fire behaviour to provide an insight into how a material or product will behave in the event of a fire during its end use application. The few existing studies reviewed in this study show more guidance and data is needed, especially on a large-scale. Unfortunately, the data that is presented is done so in an inconsistent manner using various means of presentation, statistical analysis, and modelling that doesn’t show clear comparisons between bench and large scale. Currently, no bench-scale method shows good agreement with large-scale fire behaviour. Overall, there is a need for more large-scale testing and data for direct comparisons to be made.

Wood and plants are made of fibers which contain, in addition to cellulose, lignin and hemicelluloses. Xylan and galactoglucomannan are the dominant secondary cell wall hemicelluloses. Besides fibers’ traditional use in textile and paper industries, the fibers are important materials for the biorefinery industry and for developing biocomposites. In the former context, renewable lignocellulosic biomass is used as feedstock to sustainably produce fuels, chemicals, and polymers. On the other hand, in relation to composites, cellulose fibers which are anisotropic play an important reinforcing role in fiber-matrix interactions. However, for these and other applications, structural analysis of the fibers is important and among many analytical techniques used, Raman spectroscopy is one of the methods. However, given the structural similarity between hemicelluloses and cellulose, many of their Raman contributions overlap. While the wavenumber positions corresponding to the Raman contributions of cellulose, hemicelluloses, and lignin are known, extent to which overlapping features of hemicellulose modify the spectrum of cellulose is not yet fully understood. The present investigation focuses on this aspect by using xylan as one of the hemicelluloses. As a model system, samples with various mass ratios of microcrystalline cellulose (cotton) and xylan (birch wood) were prepared and analyzed by FT-Raman spectroscopy. The findings were then applied to interpret Raman spectra of selected xylan containing delignified plant fibers. It is hoped that insights gained would lead to better interpretation of the spectra of natural and treated plant materials.

Chiral semiconductor nanostructures and nanoparticles are promising materials for applications in biological sensing, enantioselective separation, photonics, and spin-polarized devices. Here, we have studied the induction of chirality in atomically thin only 2 monolayers thick CdSe nanoplatelets (NPLs) grown by a colloidal method and exchanged with L-alanine and L-phenylalanine as model thiol-free chiral ligands. We have developed a novel two-step approach to completely exchange the native oleic acid ligands for chiral amino acids at the basal planes of NPLs. We performed an analysis of the optical and chiroptical properties of the chiral CdSe nanoplatelets with amino acids, which was supplemented by an analysis of the composition and coordination of ligands. After the exchange, the nanoplatelets retain HH, LH and SO exciton absorbance and bright HH exciton luminescence. Capping with thiol-free enantiomer amino acid ligands induce pronounced chirality of excitons in the nanoplatelets, as proven by circular dichroism spectroscopy, with high dissymmetry g-factor up to 3.4 × 10−3 achieved for HH excitons in the case of L-phenylalanine.

Growing mushrooms is meeting challenges while aiming for sustainability and circularity. Wherever the producer is located, commercial strains are the same originating from several producers. Following the harvest, enormous quantities of spent mushroom substrate containing spores are disposed presenting a type of foreign material pressure on the ecosystem in the form of the loss of genetic diversity in wild mushroom populations. This challenge can be mitigated by bioprospecting local strains and using them to generate commercial inoculum. Accordingly, the mycoceutical potential of five polypore mushroom species from Serbia was evaluated: secondary metabolite composition, oxidative damage prevention, anti-tyrosinase, and anti-angiotensin converting enzyme (ACE) properties. The phenolic pattern was comparable in all samples, but the amounts of specific chemicals varied. Hydroxybenzoic acids were the primary components. All samples had varying quantities of ascorbic acid, carotene, and lycopene, and showed a pronounced inhibition of lipid peroxidation (LPx) and ability to scavenge HO•. Extracts were more potent tyrosinase inhibitors but unsuccessful when faced with ACE. Fomitopsis pinicola had the strongest anti-tumor efficacy while Ganoderma lucidum demonstrated strong selectivity in anti-tumor effect in comparison to healthy cells. The evaluated species provided a solid foundation for commercial development while keeping the local ecology in mind.

A series of ZnO doped nitrogen-carbon materials (xZnO-N-C) with ZnO content of 5-40% are prepared by vacuum curing-carbonization strategy using polyamide-imide as N-C source and zinc nitrate as metal source for propane dehydrogenation (PDH). 20ZnO-N-C exhibits outstanding initial activity (propane conversion of 35.2% and propene yield of 24.6%) and relatively low deactivation rate (0.071 h-1) at 600 ◦C. The detailed characterization results show that small ZnO nanoparticles (5.5 nm) with high dispersion on the catalyst could be obtained by adjusting ZnO loading. Moreover, much more nitrogen-based species especially ZnNx species are formed on 20ZnO-N-C by comparison with 20ZnO-N-C-air prepared by curing-carbonization without vacuum, which may contribute for the higher product selectivity and catalytic stability of 20ZnO-N-C. The probable active sites for PDH reaction on the catalyst system are proposed to be C=O species and Zn2+ species. Moreover, the aggregation of ZnO nanoparticles is the primary reason for the activity loss on this catalyst system. The present finding not only provides the feasible construction strategy for the metal oxide doped nitrogen-carbon materials but also valuable guidance for the design of efficient catalyst in dehydrogenation of light alkane.

1,3 Dipolar cycloaddition of imidazolidine derivatives containing exocyclic double bonds is a convenient method of creating spiro-conjugated molecules with the promising anticancer active. In this work, the derivatives of parabanic acid (2-thioxoimidazolidine-4,5-diones and 5-aryliminoimidazolidine-2,4-diones) were firstly investigated as dipolarophiles in the reactions with nitrile imines. The generation of nitrile imines was carried out either by the addition of tertiary amine to hydrazonoyl chlorides «drop by drop» or using recently proposed diffusion mixing technique, which led to ~5-15% increasing of target compounds yields. It was found that the addition of nitrile imines to C=S or C=N exocyclic double bonds led to 1,2,4-thiazolines or triazolines and occurred regioselectively in accordance to the ratio of FMO coefficients of reactants. The yield of the resulting spiro-compound depended on the presence of alkyl substituents in nitrile imine structure and was significantly decreases at the reactions with imines with strong electron donor or electron-withdrawing groups. Some of the obtained compounds showed reasonable in vitro cytotoxicity. IC50 values were calculated for HCT116 (colon cancer) cells using the MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) test.

The interaction between O2 and reduced ceria nanocubes was mainly investigated by FTIR spectroscopy. Nanorods and nanoparticles were also studied for comparison. Adsorption of O2 at 100 K on unreduced ceria produces only O2 molecularly adsorbed on Ce4+ sites. The Ce3+ cations in H2-reduced ceria were monitored by the 2F5/2 → 2F7/2 electronic transition band at 2133-2095 cm-1. This band possesses a fine structure well resolved at 100 K. The positions of the individual components depend on the Ce3+ environment, including the presence of nearby species such as OH groups. Even at 100 K, the interaction of O2 with reduced ceria leads to fast oxidation of about half of the Ce3+ cations, including all Ce3+ sites bound to OH groups and carbonates, and the simultaneous formation of superoxo (O2) and peroxo (O22) species. The remaining fraction of Ce3+ sites disappears upon heating up to 348 K. At higher temperatures, the peroxo species decompose directly, yielding lattice oxygen. Superoxides are converted to hydroperoxides, which then decompose to terminal OH groups. Reduced samples evacuated at T < 773 K contain sorbed H2. Part of this hydrogen is also fast oxidized to H2O even at 100 K.

The severe volumetric expansion of silicon nanoparticles (~400 %) limits their practical application as an anode material for next-generation lithium–ion battery (LIB). Here, we describe the fabrication and characterization of conformal polydopamine carbon shell encapsulating rattle-type silica@silicon nanoparticles (PDA−PEI@PVP−SiO2@Si) with tunable void structure prepared following a dual SiO2 template using (3–aminopropyl)triethoxysilane (APTES) as a self-catalytic, structure-directing agent to tetraethyl orthosilicate (TEOS) pretreated with polyvinylpyrrolidone (PVP K30) via modified Stöber process. Polyethylene imine (PEI) crosslinking facilitated the construction of interconnected three-dimensional bubble wrap-like carbon matrix structure through hydrothermal treatment, pyrolysis, and subsequent surface-protected etching. The composite anode material delivered 539 mAh·g−1 capacity after 100 cycles at 0.1 A·g−1, and 453 mAh·g−1 rate performance at 5 A·g−1. The satisfactory electrochemical performance of the PDA−PEI@PVP−SiO2@Si was attributed to the following: the rattle-type structure providing void space for Si volume expansion, PVP K30-pretreated APTES/TEOS SiO2 seeds via catalyst-free, hydrothermal-assisted Stöber protecting Si/C spheres upon etching, carbon coating strategy increasing Si conductivity while stabilizing the solid electrolyte interface (SEI), and PEI carbon crosslinks providing continuous conductive pathways across the electrode structure. The present work realizes a promising strategy to synthesize the tunable yolk–shell C@void@Si composite anode materials for high power/energy-density LIB applications.

The contamination of aquatic environments by pharmaceutical products consistently takes the attention of researchers due to the compounds' toxicity even at low concentrations. In response, we have developed an ecologically sustainable biosurfactant derived from a microorganism and incorporated into the bacterial cellulose. This bioproduct, along with the bacterial cellulose itself, was employed as a sorbent for pharmaceuticals (hormones and paracetamol) present in water. Bacterial cellulose membranes were generated through the cultivation of Gluconacetobacter xylinus ATCC 53582. The biosurfactant was produced by pre-inoculating Bacillus subtilis in a synthetic medium, followed by immersing the bacterial cellulose membranes in the biosurfactant solution, for incorporation. Tests were conducted using water experimentally contaminated with parace-tamol and 17α-ethinylestradiol (EE2), evaluating the biosurfactant's effect on bacterial cellulose sorption. Paracetamol levels were analyzed using spectrophotometry, and EE2 levels were as-sessed using high-performance liquid chromatography. In summary, bacterial cellulose exhibited superior adsorption for EE2 compared to paracetamol. The incorporation of biosurfactant onto bacterial cellulose reduced hormone adsorption but enhanced paracetamol sorption. Our findings indicated that adsorption is more effective with bacterial cellulose in its original and freeze-dried forms, without the incorporation of biosurfactant. Notably, we achieved more promising results in remediating the hormone EE2 compared to the paracetamol.

Nowadays, the combination of fingerprinting methodology with friendly environmental and economical analytical instrumentation are becoming increasingly relevant in the food sector. In this study, a highly versatile portable analyser based on Spatially Offset Raman Spectroscopy (SORS) to obtain the edible vegetable oils (sunflower and olive oils) fingerprints was used to evaluate the capability of such fingerprints, obtained quickly, reliable and without any sample treatment, to discriminate/classify the analysed samples. After data treatment, not only HCA and PCA as unsupervised pattern recognition techniques but also SVM, kNN and SIMCA as supervised pattern recognition techniques, showed that the main effect over the discrimination/classification was associated to those regions of RAMAN fingerprint related to the free fatty acids content, especially oleic and linoleic acid. These facts allowed the discrimination attending to the original raw material used in the oil's elaboration. In all the model established, reliable qualimetric parameters were obtained.

A simple method is presented for the continuous generation of carbon nanotube forests stably anchored on stainless-steel surfaces using a reactive-roll-to-roll (RR2R) configuration. No addition of catalyst nanoparticles is required for the CNT-forest generation, the stainless-steel substrate itself being tuned to generate the catalytic growth sites. The process enables very larges surfaces covered with CNT forests having individual CNT roots anchored to the metallic ground through primary bonds. Fog water harvesting is demonstrated and tested as one potential application using long CNT-covered wires. The RR2R is performed in the gas phase, no solution processing of CNT suspensions is used contrary to usual R2R CNT-based technologies. Full or partial CNT-forest coverage provides tuning of the ratio and shape of hydrophobic and hydrophilic zones on the surface. This enables optimization of fog water harvesters for droplet capture through the hydrophobic CNT forest, and water removal from the hydrophilic SS surface. Water recovery tests using small harp-type harvesters with CNT-forest generate water capture of up to 2.2 g/cm2h under ultrasound-generated fog flow. The strong CNT root anchoring on the stainless steel surfaces provides opportunities for (i) robustness and easy transport of the composite structure, (ii) chemical functionalization and/or nanoparticle decoration of the structures, and opens the road for a series of applications on large scale surfaces, including fog harvesting.

Abstract: The centrepiece of this analytical review is the metabolism of hydroxyapatite in its natural, bone, and synthetic forms, where the mitochondria-mediated mechanism may serve as the leading mechanism. The possibility that osteoblast mitochondria play an important role in the initial stages of bone mineralisation is discussed. Furthermore, the paper highlights the key role of mitochondria in the metabolism of synthetic hydroxyapatite.Differences between the results of in vivo and in vitro studies using synthetic hydroxyapatite of different morphologies are also detailed. It is noted that long-term infiltration with immune cells and in vivo studies are necessary to adequately evaluate hydroxyapatite as a bone-plastic material.Particular attention is given to the interaction of hydroxyapatite with immune cells and its ability to affect the ribosomes and mitochondria of cells. Due to its mechanical properties, scalability and potential use for the treatment of extensive bone defects of tumor origin, hydroxyapatite is a promising material.This study also highlights the importance of further development of in vitro research methods in the context of their biomimeticity. Overall, this work offers a theoretical direction for future studies of hydroxyapatite as a bone grafting material and emphasises the value of in vivo studies.

Hybrid organic/inorganic conducting and magnetic composites of core–shell type have been prepared by in-situ coating of nickel microparticles with polypyrrole. Three series of syntheses have been made. In the first, pyrrole was oxidized with ammonium peroxydisulfate in water in the presence of various amounts of nickel and the composites contained up to 83 wt% of this metal. The similar syntheses in 0.1 M sulfuric acid followed. Finally, the composites with polypyrrole nanotubes were prepared in water in the presence of structure-guiding methyl orange dye. FTIR and Raman spectroscopies confirmed the formation of polypyrrole. The resistivity of composite powders of the order of tens to hundreds Ω cm was monitored as a function of pressure up to 10 MPa. The resistivity of composites slightly increased with increasing content of conducting nickel. This apparent paradox is explained by the coating of nickel particles, which prevents their contacts and generation of metallic conducting pathways. Electrical properties were practically independent of the way of composite preparation or nickel fraction and were controlled by polypyrrole phase. On the contrary, magnetic properties were determined exclusively by nickel content. The composites were used as a solid phase to prepare a magnetorheological fluid. The test showed better performance when compared with a different nickel system.

As smoke toxicity is unregulated outside of the mass transport industry, there is no set methodology for assessing smoke toxicity of construction products, like OSB, on a large-scale. This research aims to assess the novel design of a modified ISO 9705 room corner test designed for smoke toxicity quantification. Three tests conditions will be assessed to determine if restriction of ventilation is enough to force a fire to transition to under-ventilated flaming, or if the fuel loading is much more important in affecting the fire severity and fire condition. The research found that fuel loading and test geometry has more significant impact on the fire condition than restricting the ventilation. While imposing restrictions on the test rooms ventilation did increase the equivalence ratio, it was not sufficient enough to force the transition into under-ventilated flaming. The addition of a door to the test room did not force the fire to transition to under-ventilated flaming. When doubling the fuel loading, there was sufficient fuel for the fire to transition to under-ventilated flaming. This research has provided the experimental methodologies to assess smoke toxicity at a range of ventilation conditions on a large-scale.

Molecular dynamics (MD) simulations present a sophisticated nano-scale computational approach that can play a critical role in material design for next generation batteries. One critical piece of information needed for MD simulations is the non-bonded potential parameters, which can be obtained through quantum mechanics (QM) calculations or experimental methods. However, experimental data is not available for exploratory and novel materials to derive the potential parameters. Also, the QM approach needs significant computational power and is too time consuming for large systems. On the other hand, current Artificial Intelligence techniques are faster, but they cannot be generalized across molecules and properties. As a result, there is a significant barrier to discovering and exploring new materials. Overcoming this barrier, in this work, we propose a Machine Learning (ML) based technique that can learn inter-atomic potential parameters for various particle-particle interactions employing QM calculations. This ML model can be used as an alternative for QM calculations for predicting non-bonded interactions in a computationally efficient manner. Using these parameters as input to MD simulations, we can predict a diverse range of properties, enabling researchers to design new and novel materials suitable for various applications in the absence of experimental data. We employ our ML-based technique to learn the Buckingham potential, a non-bonded interatomic potential. Subsequently, we utilize these predicted values to compute the densities of four distinct molecules, achieving an accuracy exceeding 93%. This serves as a strong demonstration of the efficacy of our proposed approach.

The novel coronavirus disease (COVID-19) pandemic has resulted in over 720 million confirmed cases and 7 million deaths worldwide, with insufficient treatment options. Innumerable efforts are being made around the world for faster identification of therapeutic agents to treat the deadly disease. Post-acute sequelae of SARS-CoV-2 infection or COVID-19 (PASC), also called Long COVID, is still being understood and lacks treatment options as well. A growing list of drugs are being suggested by various in silico, in vitro and ex vivo models, however currently only two treatment options are widely used: the RNA-dependent RNA polymerase (RdRp) inhibitor remdesivir, and the main protease (MPro) inhibitor nirmatrelvir in combination with ritonavir. Computational drug development tools and in silico studies involving molecular docking, molecular dynamics, entropy calculations and pharmacokinetics can be useful to identify new targets to treat COVID-19 and PASC, as shown in this paper. We have investigated bisphosphonates which can bind competitively to nidovirus RdRp-associated nucleotidyl (NiRAN) transferase domain, and systematically downselected three candidates (CHEMBL196676, CHEMBL164344, and CHEMBL4291724) that show sufficient in silico promise to warrant further investigation in in vitro and ex vivo models.

So far, scientific studies on high frequency welding (HF) have observed the three main parameters: anode current, welding time and pressure of upper electrode. Some authors have also observed and studied the welding frequency, the power, and the values of the dielectric constants of the materials or the angle of dielectric losses. Due to the complex effects that the parameters have on the quality of the welded joint, it is necessary to extend the research and study the mutual relationships between a large numbers of process parameters on the welded joint in order to achieve satisfactory strength of the welded joint. In this research, the number of considered parameters is increased to 17, each of which is relevant to the processes of HF welding, and their mathematical equations are presented. The research is carried out on a HF welding machine improved with a linear pneumatic actuator for lowering the upper electrode and regulating the compressive force, and a measuring machine with the appropriate measuring method for determining the breaking forces with a tension gage and performing the „T“ test is made. Numerous researches were carried out on the functional changes of the process parameters of the percentage share of the values of the coupling capacitor, the anode current and the welding time on the values of the breaking forces of the welded joints. Based on the conducted research, it was concluded that the optimization of the process parameters of HF machine must be performed before the welding process, which is determined by a certain amount of energy that must be introduced into the material. These parameters are the capacity of the output capacitor, i.e., the value of the electric current flowing through the material and the time for the development of the operating power to produce welded joints with a certain strength and quality of welded joints for a specific material used in the process.

Although the potential of natural minerals for purification of liquid radioactive wastes (LRW) from radionuclides has been widely studied, the use of hybrid polymer composites made of zeolite is still rather scarce. This article reports on the preparation of zeolite based hybride polymer composites using the in-situ polymerization technique in the body of mineral matrix and its intercalated with copper ferrocyanide (CuFC) forms. This hybrid polymer composites have shown unique and enhanced properties as compared to the individual mineral. The change in conventional properties of two mixed minerals such as zeolite and bentonite and their intercalated with CuFC forms were probed using technics such as scanning electron microscopy (SEM), X-ray diffraction (XRD), Mossbauer spectroscopy (MS) and FT-IR analysis. The totality of analysis showed a coexistence of intercalated and percolated zeolite phases. The hybrid polymer composites exhibited both adsorption and ion-exchangr properties in removal of radionuclides from LRW.

The air is a fundamental element for the life on Earth. Rapid urbanization and industrialization release large amounts of pollutants (harmful gases, microorganisms, and particulate matter, among others) into the atmosphere, leading to health hazards. Air filtration is still the most used and promising technique for protecting air against pollutants. The quality and efficiency of filtering process are dependent of material used for the filter and other filter’s properties. Several methods can be used for manufacturing filters, one of them uses fibrous membranes obtained through electrospinning from polymeric solutions. Electrospinning is a technique that combines the application of an electrostatic field to a moving fluid which results in the fibers formation. Electrospun membranes are constituted by fibers that the sizes spread on submicro and or nanometric scales. This review focuses on fiber membranes obtained by electrospinning for filtration of particulate matter. It is addressed the effect of solution, processing and ambient parameters on the morphology and dimensional characteristics of fiber membranes. The basic principles of air filtration and test and characterization of filter performance are presented. The research progress on electrospun nanofibers as air filters in recent years is summarized and examined. Finally, conclusion and future perspectives in electrospun fibers for air filtration are provided and discussed.

The effects of rare earth Y content on the microstructure and high-temperature oxidation properties of 47Fe-36Ni-15Cr-1.5Mn alloy at 1000°C were investigated. The results show that 47Fe-36Ni-15Cr-1.5Mn alloy oxidizes at 1000°C under laboratory atmospheric pressure to form an oxide film layer dominated by Cr2O3 and (Fe, Ni, Mn) Cr2O4 spinel, and the oxidation curve of the alloy follows the parabolic law. After the addition of rare earth Y, rare earth phases precipitated along the grain boundaries in the alloy, and the more Y content, the more precipitated phases in the grain boundaries. The alloy with added rare earths was oxidized at a high temperature of 1000 °C for 2160 min, the oxidation law still followed the parabolic law, while the rare earth phase at the grain boundary reacted with the oxygen atoms infiltrated from the outside to generate a rare earth Y-rich oxide residing at the boundary between the grain boundary and the precipitated phase of the alloy. Add 0.5 wt.% rare earth Y 47Fe-36Ni-15Cr-1.5Mn-0.5Y alloy 1000 ° C high temperature oxidation of the formation of spinel oxide crystalline particles, dense and complete oxide film layer, the surface of the addition of a small amount of (0.5 wt.%) rare earth Y after the refinement of the oxide particles, and in the alloy grain boundaries in the form of oxides reside in the alloy to inhibit the cations in the matrix and the oxygen negative ions. and oxygen-negative ions in the alloy matrix, improving the antioxidant performance of the alloy. With the further increase of rare earth Y, during the oxidation of the alloy at high temperature, the precipitation phase at the grain boundary promotes the inward diffusion of oxygen, resulting in the deterioration of the antioxidant property of the alloy.

Dental implant fracture is closely connected to the stress buildup surrounding the implant system during static loading. In areas where the cross section of the implant rapidly changes or where the geometry of the implant system has discontinuities, stress concentrations arise. Therefore, the implant's design is crucial in preventing early failure of the implant system, including fracture, screw loosening, and increased leakage, in addition to reducing stresses at the implant-abutment interface. In the current work, three-dimensional (3D) models of mechanically connected Ti6Al4V implant systems in various dimensions were constructed. Finite Element Analysis (FEA) was used to conduct a stress study of the created implants under actual acting forces static loading conditions in accordance with ISO 14801. In the created models, design elements including implant screw type, thickness, and taper angle of abutment were modified in order to increase the longevity of the implants. The results show that the equivalent stress level is dramatically reduced from 596.22 MPa to 212.72 MPa in the implant model, which exhibit more homogeneous stress pattern under static loading conditions. Furthermore, the relatively smoother stress transmission observed in this model holds promise for the development of new implants capable of withstanding the forces encountered in the oral environment.

Malignant melanoma is one of the most aggressive and resistant tumor types which is often accompanied by poor prognosis when spread to nearby or distant tissues. Even though an increasing number of second-line therapies are available for cancer patients, the 5-year survival rate of melanoma patients with regional and distant metastases is still rather low. Therefore, there is an urgent need to develop new, highly efficient treatments. Melanocortin-1-receptor (MC1R) is a cell surface receptor for α-MSH. It is responsible for melanogenesis and is shown to be overexpressed on the surface of cancer cells in a subset of melanoma patients. Here, we designed and synthesized α-MSH analogs and conjugated them to daunomycin through oxime linkage. Using our peptide-drug conjugates (Dau-α-MSHs), we performed comparative in vitro and in vivo evaluations to reveal their suitability for tumor targeting. Firstly, the expression level of MC1R was determined in various melanoma cell lines via RT-qPCR. Then, we examined the antiproliferative effect of our Dau-α-MSHs, moreover we determined the cellular uptake profile and intracellular localization of Dau-α-MSHs. The most efficient Dau-α-MSHs were investigated in vivo using a murine xenograft melanoma model. We found that various cell lines show differential expression on the mRNA levels. We also showed that healthy primary cells have lower expression of MC1R compared to tumor cell lines. Moreover, the concentration-dependent cellular uptake profile of Dau-α-MSHs was detected and the compounds exhibited a great antiproliferative effect on melanoma cell lines. We also provided evidence that our novel Dau-α-MSHs can inhibit tumor expansion significantly and are suitable for targeted tumor therapy.

Synthesis of heterodinuclear 3d transition metal complexes in which two metal ions are introduced in equivalent coordination sites of a ligand is quite uncommon. We have previously shown that the application of the cis-trans isomerization of the oxamido group was able to furnish such a possibility. In the present paper we demonstrate that this synthetic pathway, relying on the possibility of changing the conformation (cis vs trans) of the oxamido group, can be extended to other ligands. Although we have not been able to structurally characterize these complexes, EPR and magnetic data do confirm the efficiency of this reaction pathway. We also demonstrate that the cis-trans isomerization of the oxamido group is not due to a particular property of the ion involved in the reaction. In fact, isomerization is governed by the basicity of the reaction medium. According to the reaction condition, it is possible to favor or not this phenomenon, and to increase the accessibility to a larger number of novel genuine complexes. But the oxophilic character of the lanthanide ions impedes this isomerization in 3d-4f complexes. The very weak magnetic interactions observed in these Cu-Gd complexes can be explained thanks to spin polarization.

Polyurethane is used extensively in the furniture industry, primarily in beds and sofas. There is a significant volume of research pertaining to the flammability of polyurethane materials, but very little regarding smoke toxicity. Given toxic fire effluents are a primary cause of injury and fatalities, more work needs to be done to test the toxicity of polyurethane materials and the fire retardants they are coated/bound with. The aim of the review is to provide a comprehensive analysis of the decomposition of polyurethane and discuss the development and application of modern fire retardants and their effect on smoke toxicity. This work then provides discussion on the challenges faced when attempting to quantify the toxicity of the effluent produced during combustion. Future work should aim to reduce the toxicity and flammability of polyurethane simultaneously by; reducing the pyrolysis of the polymer, preventing the escape of volatile products, reducing radicals within the system and lowering the temperature of the system. Before this can be achieved, a better understanding of smoke toxicity and the ability to test materials is needed.

This manuscript presents the result of utilizing cellulose as a template to prepare na-nosized WO3-NiWO4 and its application as co-catalysts in Pt/WO3-C and Pt/WO3-NiWO4-C for ethanol and glycerol electro-oxidation. Microcrystalline cellulose was hydrolyzed with phosphotungstic acid (H3PW12O40) to prepare the nanosized template of crystalline cellulose. Next, the template was impregnated with Ni(NO3)2, rendering a precursor mate-rial that is subsequently air-calcinated, removing the carbon-template material to obtain the nanometric WO3 and NiWO4. Elemental analysis confirmed the coexistence of nickel and tungsten, whereas the thermal analysis evidenced the high thermal stability of these materials. The X-ray diffractograms displayed crystal facets of WO3 and, when added Ni, of NiWO4. The transmission electron micrographs corroborated the formation of na-nosized particles with average particle sizes close to 50 nm. Finally, to apply this material, Pt/WO3-C and Pt/WO3-NiWO4-C were prepared and used in ethanol and glycerol electro-oxidation in alkaline medium, observing a promotional effect of the oxide and tungstate by reducing the onset potential and increasing the current density. These materials show great potential to produce clean electricity or green hydrogen contributing to energetic transition.

High-performance properties of interpenetration polymer network (IPN) hydrogels, based on physically crosslinked chitosan (CS) and chemically crosslinked poly(N-isopropylacrylamide) (PNiPAM), have been successfully developed. The IPN of CS/PNiPAM is proposed to overcome the limited mechanical properties of the single CS network. In this study, the viscoelastic behaviors of prepared materials in both solution and gel states have been extensively examined, considering the UV exposure time and crosslinker concentration as key factors. The effect of these factors on gel formation, hydrogel structures, thermal stabilities of networks, and HeLa cell adhesion were studied sequentially. The sol-gel transition was effectively demonstrated through the scaling law, which agrees well with Winter and Chambon's theory. By subjecting the CS hydrogel to the process operation in an ethanol solution, its properties can be significantly enhanced with increased crosslinker concentration, including the shear modulus, crosslinking degree, gel strength, and thermal stability in its swollen state. The IPN samples exhibit a smooth and dense surface with irregular pores, allowing for much water absorption. The HeLa cells were adhered to and killed using the CS surface cationic derivative, then released through hydrolysis by utilizing the hydrophilic/hydrophobic switchable property or thermo-reversible gelation of the PNiPAM network. The results demonstrated that IPN is a highly attractive candidate for anti-fouling materials.

Scaffolds for tissue engineering are expected to respond to a challenging combination of physical and mechanical requirements, guiding the research towards the development of novel hybrid materials. This study introduces innovative three-dimensional bioresorbable scaffolds, in which a stiff poly(lactic acid) lattice structure is meant to ensure temporary mechanical support, while a bioactive gelatin-chitosan hydrogel is incorporated to provide a better environment for cell adhesion and proliferation. The scaffolds present a core-shell structure, in which the lattice core is realized by additive manufacturing, while the shell is nested throughout the core by grafting and crosslinking a hydrogel forming solution. After subsequent freeze-drying, the hydrogel network forms a highly interconnected porous structure that completely envelops the poly(lactic acid) core. Thanks to this strategy, it is easy to tailor the scaffold properties for a specific target application, by properly designing the lattice geometry and the core/shell ratio, which are found to significantly affect the scaffold mechanical performance and its bioresorption. Compression stiffness and strength provided by poly(lactic acid) lattices are overall within the range of values displayed by human bone tissue and remain stable after prolonged immersion in water at body temperature for several weeks. On the other hand, the hydrogel undergoes gradual and homogeneous degradation over time, but the core-shell integrity and structural stability are nevertheless maintained during at least 7-week hydrolytic degradation tests. In vitro experiments with human mesenchymal stromal cells reveal that the core-shell scaffolds are biocompatible and their physical-mechanical properties and architecture are suitable to support cell growth and osteogenic differentiation, as demonstrated by hydroxyapatite formation. These results suggest that the bioresorbable core-shell scaffolds can be considered, and further studied, in view of clinically relevant endpoints in bone regenerative medicine.

Up-conversion luminescence (UCL) materials are of great importance due to their unique optical properties. In particular, the red UCL, falling into the optical transmittance window of biological tissues, can realize deep tissue penetration depth and high-resolution bioimaging. In this work, effective red UCL is achieved in the ternary sulfide by the introduction of Tm3+ or Ho3+ ions into Er3+ doped NaYS2 under 1550 nm excitation. The main emission peak is successfully tuned from green (NaYS2:Er3+) to highly efficient red luminescence (NaYS2:Er3+,Tm3+ and NaYS2:Er3+,Ho3+). The maximum red to green emission intensity ratio (IR/IG) increased by 31 and 80 times, respectively. The lifetime of 4I9/2(Er3+) level decreases significantly from 3432 s (NaYS2:Er3+) down to 636 (NaYS2:Er3+,Tm3+) and 423 s (NaYS2:Er3+,Ho3+), respectively. This is due to the altered energy transfer pathways, resulting in the population of 4F9/2(Er3+). The mechanisms of UCL and energy transfer processes are further supported by fluorescence decay dynamic measurements. The results show the realization of red-emissive UCL in the promising NaYS2 matrix, representing a new type of red UCL phosphors.

The modification of cellulose woven fabrics and viscose nonwovens was carried out with the aim of preparing sustainable coatings from biodegradable natural polymers. The modification of fabrics with biodegradable natural polymers represents an ecological alternative to other textile modifications such as the sol-gel process. Coatings were prepared from erythritol, gelatin and collagen in various formulations with the addition of propolis and alginate fibers and a natural plasticizer (glycerin). The morphology of the materials was determined before and after modification with Dino-lite, the pH value, the drop test method, the angle recovery angle, the thickness and the mass per unit area. The modifications have no significant effect on the thickness and mass per unit area, in a larger proportion they show hydrophilic properties, which favours the application for medical purposes - for example the absorption of exudates, wound dressings etc. Due to the neutral and slightly alkaline pH value of the modified samples, they are suitable for external application on the skin. The recovery angle of the modified samples proves that the samples do not tend to crease and that they retain their elasticity after modification and have a pleasant textile feel (fabric hand).

Various iron oxides have been proven to be promising anode materials for metal-ion batteries due to their natural abundance, high theoretical capacity, ease of preparation, and environmental friendliness. However, the synthesis of iron oxide-based composites requires complex approaches, especially when it comes to composites with intrinsically conductive polymers. In this work we propose a one-step microplasma synthesis of a polyaniline-coated urchin-like FeOOH nanoparticles (FeOOH/PANI) for application as anode in lithium-ion batteries. The material shows excellent electrochemical characteristics, providing initial capacity of ca. 1600 mA∙h∙g−1 at 0.05 A∙g−1 and 900 mA∙g−1 at 1.2 A∙g−1. Further cycling lead to capacity decrease to 150 mA∙h∙g−1 by the 60th cycles, followed by a recovery that maintained the capacity at 767 mA∙h∙g−1 after 2000 cycles at 1.2 A∙g−1 and restored full initial capacity of 1600 mA∙h∙g−1 at low current density of 0.05 A∙g−1. Electrochemical milling of the material caused such interesting behavior of the material, and we confirmed this phenomenon by a combination of physico-chemical and electrochemical techniques. The anodes also exhibit high performance in a full cell with NMC532. NMC532//FeOOH/PANI full cell provided energy density of 224 Wh∙kg−1 which is comparable to the reference cell with graphite anode (264 Wh∙kg−1).

Matter grows and self-assembles to produce complex structures such as virus capsids, carbon fullerenes, proteins, glasses, etc. Due to its complexity, performing pen-and-paper calculations to explain and describe such assemblies is cumbersome. Many years ago, Richard Kerner presented a pen-and-paper path integral approach to understand self-organized matter. Although successfully addressed many important problems including the yield of fullerene formation, the glass transition temperature of doped chalcogenide glasses, the fraction of boroxol rings in B2O3 glasses, the first theoretical explanation for the empirical recipe of window and Pyrex glass and the understanding of virus capsid self-assembly, still is not the primary choice when tackling similar problems. The reason lies in the fact that it diverges from mainstream approaches based on the energy landscape paradigm and non-equilibrium thermodynamics. In this context, a critical review is presented, demonstrating that the Richard Kerner method is, in fact, a clever way to identify relevant configurations. Its equations are simplified, common physical sense versions to those found in the energy landscape kinetic equations. Subsequently, the utilization of equilibrium Boltzmann factors in the transition Markov chain probabilities is analyzed within the context of local two-level energy landscape models kinetics. This analysis demonstrates that their use remains valid when the local energy barrier between reaction coordinate states is small compared to the thermal energy. This finding places the Richard Kerner model on par with other more sophisticated methods and, hopefully, will promote its adoption as an initial and useful choice for describing the self-agglomeration of matter.

A La2FeCrO6 (LFCO) double perovskite powders were synthesized by hydrothermal method, which crystallized in an orthorhombic (Pnma) structure and exhibited a spherical morphology with average particle size of 900 nm. Fourier transformation infrared spectroscopy confirmed the octahedral coordination of Fe and Cr ions in the powders. XPS spectra revealed dual oxide states of Fe (Fe2+/Fe3+) and Cr (Cr3+/Cr4+) elements, and oxygen element appeared as lattice oxygen and defect oxygen, respectively. The LFCO powders exhibit ferromagnetic behavior at 5 K with saturation magnetization of 0.31 μB/f.u., coercive field of 8.0 kOe, and Curie temperature of 200 K. Griffiths phase appeared in the powders between 200 K and 223 K. The LFCO ceramics displayed a butterfly-like magnetoresistance (MR)-magnetic field (H) curve at 5 K with MR (5 K, 6 T) value of -4.07%. Temperature dependence of resistivity of the LFCO ceramics demonstrated their semiconducting nature. Electrical transport data were fitted by different conduction models. Strong frequency dispersion dielectric behavior was observed in the LFCO ceramics. A dielectric abnormality observed around 260 K, was ascribed to the jumping of electrons trapped in shallow levels created by oxygen vacancies. The dielectric relaxation behavior exhibited by dielectric loss between 160 K and 260 K, was contributed to the singly-ionized oxygen vacancies.

Magnesium alloy stents have been extensively studied in the field of biodegradable metal stents due to their exceptional biocompatibility, biodegradability and excellent biomechanical properties. Nevertheless, the specific in vivo service environment causes magnesium alloy stents to degrade rapidly and fail to provide sufficient support for certain time. This paper presents an overview of the development history and protection strategies for magnesium alloy stents. Alloying, optimizing stent structure and preparing protective coating have improved the corrosion resistance of magnesium alloy stents. Based on the corrosion mechanism of magnesium alloy stents, as well as their deformation during use and environmental characteristics, we present some novel solution strategies aiming at reducing the corrosion rate of magnesium alloys and enhancing the comprehensive performance of magnesium alloy stents. These strategies include adapting protective coatings for the deformation of the stents, preparing rapid endothelialization coatings to enhance the service environment of the stent, and constructing coatings with self-healing functions. It is hoped that this review can help to understand the development of magnesium alloy cardiovascular stents and solve the problems related to magnesium alloy stents in clinical applications at the early implantation stage.

An enormous interest in the development of efficient protocols for cellulose extraction has been demonstrated in the last years, however, they were usually based on non-sustainable chemical and thermal approaches. In this work we describe a new and more sustainable method for cellulose extraction from eucalyptus and pine tree wood waste products exclusively performed using microwave-assisted radiation. The methodology includes 3 main steps: i) alkaline treatment; ii) bleaching I, using H2O2; and iii) bleaching II, an acidic treatment. Samples obtained in each step were characterized by Fourier-transform Infrared (FTIR) spectroscopy, powder X-ray diffraction (PXRD), thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). The results were compared with those of starting materials, with the commercially available microcrystalline cellulose and with an industrial paper pulp. Results confirmed that for both type of wood wastes, cellulose was retained during the extractions procedures and that the removal of hemicellulose was achieved at the last step as seen by the FTIR spectra and TGA curves. The developed protocol is innovative since it constitutes an easy and quick approach to extract cellulose, from eucalyptus and pine tree wood waste using mild chemical and thermal conditions, microwave irradiation, and environmentally friendly purification steps. This approach offers the possibility of a future scale-up study to potentially apply the develop protocol to the extraction of cellulose in an industrial scale.

Flexible energy storage devices, such as solid-state supercapacitors, are becoming increasingly attractive due to their characteristics of high electrochemical performance, reliability, light weight, flexibility, absence of electrolyte leakage, high power density, and long lifetime. For the optimization of the solid-state symmetrical supercapacitor proposed in this work, it was employed in sodium and lithium form Aquivion electrolyte membrane, which serves as the separator and electrolyte. As electrode materials, carbon xerogels, synthesized by microwave-assisted sol-gel methodology, with designed and controlled properties were obtained. Commercial activated carbon (YP-50F, 'Kuraray Europe' GmbH) was used for comparison. Specifically, the developed solid-state symmetrical supercapacitors deliver sufficient high specific capacitances of 105−110 F g−1 at 0.2 A g−1, along with an energy density of 4.5 Wh kg−1 at 300 W kg−1, and in a voltage window of 0-1.2 V in an aqueous environments, also demonstrating excellent cycling stability up to 10,000 charge/discharge cycles. These results can demonstrate the potential applications of carbon xerogel as an active electrode material and cation exchange membrane as the electrolyte in the development of solid-state supercapacitor devices

The orbital elactronic structure of Rare Earth Elements (REEs) contains many unpaired electrons which render them capable of storing large amount of magnetic energy in addition to being critical for hitech applications. Geological deposits are their conventional sources, and the current supply chain relies on production from these deposits. However, given their critical roles in the anticipated global energy transition, there is the need to explore other viable sources to supplement current and future supplies chains. REEs occur in coal as accessory minerals and their concentration in coal ash to levels that rival those of geological deposits has been estab;ished by sophisticated analytical chemical methods. Conmventional hydrometallurgical processes rely on acid leaching, using tioxic mineral acids. Meanwhile, organosulfonic acids have pKa values that rival those of conventional minerals acid and can, therefore, be used in hydrometallurgy but their uses in this regard are not well documented in the literature. In this extensive review, we have covered geological sources of REEs exaustively in addition to showing the potential of organosulfonic acids as environmentally benign lixiviants for REEs extraction from coal ash. We have also shown how process optimization can be achieved using advance technologies while using organisulfonic acids. Moreover, we have shown current and future global market trends regarding the production of select organosulfonic acids, and the anticipated global increase in their production motivates the use of organosulfonic acids as viable lixiviants for REEs extraction from caol ash deposits.

High-throughput research on bimetallic nanoparticles brought a vast overview of their characteristics and catalytic activities.¹ However, traditional bimetallic nano-allloy quantification methods serving catalyst preparations are not suitable for the fast and robust data output of high-throughput experiments. Hence, this work designed and validated a more fast, more neat, and reliable quantitative analysis using X-ray fluorescence spectroscopy for bimetallic nanoparticles synthesized by high-throughput setups. The results demonstrated this method to be accurate with high precision. Furthermore, the agreement to qualitative results from an energy-dispersive X-ray spectrometer equiped on a scanning electron microscope provided an option to quantify a bimetallic nano-alloy by just analyzing one of the two composing elements. Thus, this method is proved to be highly compatible with high-throughput experiments.

Although Sugarcane bagasse ash (SCBA) has good cementitious property, previous researchers have primarily aimed to improve the mechanical performance of conventional concrete or cement-based composites. Research is lacking on ultra-high performance concrete (UHPC), especially regarding tensile self-sensing properties. This paper aimed to comprehensively evaluate the SCBA effect on the UHPC’s mechanical, electrical, and tensile self-sensing properties. The results showed that SCBA below the critical incorporation concentration (CIC) improved the UHPC’s mechanical properties compared to steel fibers alone. Furthermore, adding 3.0wt% SCBA remarkably enhanced the UHPC mechanical properties where the compressive, flexural, and tensile strengths increased by 13.1%, 17.4%, and 20.6%, respectively. The SCBA content of 0.3wt% achieved the maximum UHPC electrical resistivity since values smaller or greater than this content decreased the resistivity. The SCBA-enhanced UHPC showed better tensile stress-sensing performance than UHPC without SCBA due to improved linearity and reversibility, lower hysteresis, higher sensitivity, and superior repeatability. UHPC with 0.3wt% SCBA achieved the best linearity, while UHPC with 0.9wt% SCBA showed the highest sensitivity, lowest hysteresis, and best repeatability. Overall, the content of 0.9wt% SCBA is the best in improving the overall mechanical, electrical, and tensile self-sensing performance.

An efficient stereoselective three-component reaction for the synthesis of spiro[4H-chromene-3,3’-oxindole] derivatives was realized through an organocatalyzed cascade Knoevenagel/Michael/cyclization reaction using a quinidine-derived squaramide as the catalyst. Under the optimized conditions, the reactions of isatins, malononitrile, and sesamol yield the desired spirooxindoles in good yields (75–87%) and moderate to high ee values (up to 90% ee). Two pairs of selected enantiomers were subjected to evaluate their antiproliferative activities on three types of human cancer cell lines using the MTT assay. The results indicated that stereoselectivity and electrical effect showed significant impact on activity. Enanotiomer R-3f exhibited optimal cytotoxic activity against U2OS cell line, which was close to the inhibitory activity of positive control, Adriamycin.

Abstract: Composite sintered bodies comprising silicon dioxide (SiO2) nanoparticles dispersed in β-tricalcium phosphate (β-TCP) were prepared. The addition of nano-sized colloidal SiO2 to the β-TCP produced well-dispersed secondary phase nanoparticles that promoted densification by suppressing grain growth and increasing volume shrinkage of the sintered bodies. The SiO2 was found not to react with the β-TCP at 1120 °C and the substitution of silicon for phosphorous to produce a solid solution did not occur. This lack of a reaction is ascribed to the absence of avail-able calcium ions to compensate for the increase in charge associated with this substitution. The SiO2 nanoparticles were found to be present near the intersections of grain boundaries in the β-TCP. A β-TCP composite sintered body containing 4.0 wt% SiO2 exhibited a bending strength comparable to that of cortical bone and hence could potentially be used as a bone filling material.

The processes of hydrogen reduction of silicon and germanium chlorides under the conditions of radio-frequency (40.68 MHz) counteracted arc discharge stabilized between two rod electrodes were investigated. The main gas-phase and solid products of plasma-chemical transformations were determined. Thermodynamic analysis of SiCl4 + H2 and GeCl4 + H2 systems was carried out. It is shown that under the implemented experimental conditions, equilibrium components of the products are established. The detected spectra of chemical activity were studied, which gave reason to assume that the molecular mechanism of the hydrogen reduction process is the main one. The impurity composition of gas-phase and solid reaction products was investigated. The possibility of single-stage production of high-purity Si and Ge mainly in the form of compact ingots, as well as high-purity chlorosilanes and trichlorogermane, was shown.

A novel chemically cross-linked hydrogel was prepared through the utilization of the nor-bornene (Nb)-methyl tetrazine (mTz) click reaction, derived from carboxymethyl cellulose (CMC) and alginate (Alg). The hydrogel was designed to generate reactive oxygen species (ROS) from NIR-dye, indocyanine green (ICG) for a combined photothermal and photodynamic ther-apy (PTT/PDT). The cross-linking of Nb and mTz moieties occurred via an inverse elec-tron-demand Diels-Alder reaction under physiological conditions avoiding the need for a cata-lyst. The resulting hydrogels exhibited viscoelastic properties (G′ ~ 492-270 Pa) and high porosi-ty. The hydrogels were found to be injectable with tunable mechanical characteristics. The ICG encapsulated hydrogels demonstrated ROS generation ability under NIR exposure. The ROS production was investigated through DPBF assays to access photodynamic effect (with NIR irra-diation at 1-2W for 5-15 min). The temperature of the ICG-loaded hydrogels was also raised up-on the NIR irradiation to eradicate tumor cells photothermally. In vitro cytocompatibility as-sessments revealed the non-toxic nature of CMC-Nb and Alg-mTz towards HEK-293 cells. Fur-thermore, the ICG-loaded hydrogels effectively inhibited the metabolic activity of Hela cells following NIR exposure. This innovative hydrogel system holds promise for applications in combined PTT and PDT.

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