The preparation of transition metal salt ammine complexes having oxidizing anions is a great challenge due to the reaction between the ammonia and oxidizing anions during the synthesis of these materials. However, they have an important role in the development of new oxidants in organic chemistry and especially as precursors in the preparation of mixed metal oxides and alloys in controlled temperature thermal decomposition reactions. Therefore, the synthetic procedures to prepare the complexes of transition metal permanganate, pertechnetate, and perrhenate (VIIB group tetraoxometallates) salts with ammonia as ligand or co-ligand have been comprehensively reviewed. The available data about the structure and spectroscopic properties of these compounds, including the hydrogen bonds that act as redox reaction centers under their thermal decomposition are given and evaluated. Their thermal decomposition processes and products have been summarized. The available pieces of information about their role in organic oxidation reactions like the oxidation of benzyl alcohols, and regeneration of oxo-compounds from oximes and phenylhydrazones including the kinetics of these processes have also been collected.

Biomarkers play key roles in diagnosis, risk assessment, treatment and supervision of car-diovascular diseases (CVD). Optical biosensors and assays are valuable analytical tools answering the need for fast and reliable measurements of biomarkers levels. This review presents a survey of recent literature with a focus on the past 5 years. The data indicates continuing trends towards multiplexed, simpler, cheaper, faster and innovative sensing while newer tendencies concern minimizing the sample volume or using alternative sam-pling matrices such as saliva, for less invasive assays. The use of enzyme mimicking activity of nanomaterials gained ground in comparison to their more traditional roles as signaling probe, immobilization support for biomolecules or for signal amplification. The growing use of aptamers as replacements for antibodies prompted emerging applications of DNA am-plification and editing techniques. Optical biosensors and assays were tested with larger sets of clinical samples and compared with the current standard methods. The ambitious goals on the horizon for CVD testing include the discovery and determination of relevant biomarkers with the help of artificial intelligence, more stable specific recognition elements for biomarkers and fast, cheap readers and disposable tests to facilitate rapid testing at home. As the field is progressing at an impressive pace the opportunities for biosensors in the optical sensing of CVD biomarkers remain significant.

In this study the formation of thin-film barrier coatings based on a highly-conducting Bi1.60Er0.4O3 (EDB) solid electrolyte on supporting Ce0.8Sm0.2O1.9 (SDC) electrolyte substrates is implemented for the first time using electrophoretic deposition (EPD). Electrokinetic properties of EDB-based suspensions in a non-aqueous dispersion medium of isopropanol modified with small additions of polyethyleneimine (PEI, 0.26 g/L) and acetylacetone (0.15 g/L), as well as in a mixed isopropanol/acetylacetone (70/30 vol.%) medium are studied. The dependences of the thickness of EDB coatings on voltage and deposition time are obtained using deposition on a model Ni-foil electrode. Preliminary synthesis of a conductive polypyrrole (PPy) polymer film is used to create surface conductivity of non-conductive SDC substrates. The efficiency of using a modified dispersion medium based on isopropanol to obtain a continuous EDB coating 12 μm thick, sintered at a temperature of 850 °C for 5 h, is shown. The microstructure and morphology of the surface of the EDB coating are studied. Pt/SDC/EDB/Pt cell is used to characterize the coating conductivity. The EPD method is shown to be promising for the formation of barrier coatings based on doped bismuth oxide. The developed method can be used for creating cathode barrier layers in SOFC technology.

The fresh bulbs of Stenomesson miniatum, a plant belonging to Amaryllidaceae family with a poorly investigated phytochemical profile, were traditionally employed by Andean healers to treat tumors and abscesses. The aims of this study were to characterize the alkaloid extract from the bulbs of S. miniatum and test its cytotoxic and antibacterial potential. The alkaloid extract was characterized by dereplication using various techniques (CPC, NMR, UPLC-HRMS) and referring to in-home or online databases for spectroscopic data matching. Cytotoxic activities were evaluated on A431 human epidermoid carcinoma cells through a metabolic assay, and on Jurkat human acute T-leukemia cells through a cell-impermeant fluorescent nuclear probe. Antibacterial assays were carried out against Staphylococcus aureus, Staphylococcus epidermidis and Streptococcus pyogenes by using a standardized microdilution broth method 96-well plate. Eleven known Amaryllidaceae alkaloids were identified together with another compound determined as being an extraction artefact. The alkaloid extract showed good cytotoxic activity against both the tumor cell lines, reaching an IC50 of 3.3 µg/mL against A431 cells and of 10.9 µg/mL against Jurkat cells. The analysis of the fractions allowed the activity to be attributed to the presence of pretazettine and haemathamine. Conversely, no antibacterial activities were recorded for any of the samples.

Silicon has a theoretical specific capacity of 4200 mAh g−1, which is considered to have significant potential for anode materials in lithium-ion batteries (LIBs). However, the volume change that occurs in silicon during charging and discharging affects the development of commercial applications. In this work, a yolk-shell structured Si@void@C anode material has been developed to address this problem. The silicon nanoparticle yolk material is obtained by recycling kerf-loss (KL) Si waste from the photovoltaic industry, the carbon shell is prepared via a hydrothermal process with glucose, and the sacrificial interlayer is Al2O3. The synthesized material is used to fabricate anodes that show a high reversible capacity of 836 mAh g−1 at the current density of 0.1 A g−1 after 100 cycles, with a Coulomb efficiency of 71.4%. This work demonstrates a relatively low-cost approach to turn KL Si waste into value-added materials for LIBs.

This work presents an LC resonant passive wireless gas sensor with a novel structure designed to mitigate the negative impact of substrate. The LC sensor antenna with the new structure and the reader antenna were designed and optimized utilizing HFSS software to improve the transfer efficiency. The superiority of the designed structure compared with the general ones is highlighted and verified. The change in the substrate capacitance has essentially no interference with the parameters to be measured of the LC sensor. The sensor with the new structure was prepared by combining etching and sputtering methods. The structure of the ZnO nanowires (NWs) was characterized to confirm their high purity and wurtzite crystal structure. The LC gas sensors demonstrated excellent wireless sensing performance including a low detection limit of 0.5 ppm NO2, high response of 1.058 and outstanding stability at 180 °C. The developed new sensor structure not only prevented interference from the substrate during gas sensing testing, but also expanded the choice of sensor substrates, playing a critical role in the development of sensors based on LC resonance principle.

The challenge of achieving ultrafast switching of electric polarization in ferroelectric materials remains unsolved, as there is no experimental evidence of such switching to date. In this study, we have developed an enhanced model that describes switching within a two-dimensional space of generalized coordinates. Our findings indicate that stable switching in barium titanate cannot be achieved through a single linearly polarized pulse. When the intensity of the linearly polarized pulse reaches a certain threshold, the sample experiences depolarization, but not stable switching. Our study also reveals that phonon friction plays a minor role in the switching dynamics and provides an estimate of the optimal parameters of the perturbing pulse with the lowest intensity that results in depolarization of an initially depolarized sample.

The luminescent properties of photocured aliphatic and aromatic network polycarbonate methacrylates containing organic fluorescent dyad have been studied. The dyad molecule includes two photosensitive fragments – tetraarylimidazole with a hydroxy group and azomethinocoumarin, in each of which excited state intramolecular proton transfer occurs, which leads to the appearance of two emissions - blue and green. It was established that the ratio of the intensities of these emissions depends on the excitation wavelength, as well as on the length, flexibility and polarity of the matrix oligomeric bridges.

In this paper, a new method by combining cold drawing and martensitic transformation was proposed to produce ultrahigh-strength steel wire, and the effect of austenitizing heating rate on microstructure and mechanical properties was studied. Compared with Muffle furnace heating, salt bath heating has a much higher austenitizing heating rate, which is beneficial to obtain ultrafine-grained martensite for steel wire with a larger section. By salt bath hardening and low-temperature tempering, an ultrahigh strong (strength of 2.48 GPa) and tough (elongation of 6.0%) steel wire was produced. Moreover, to explore whether is it possible to replace long-time low-temperature tempering with short-time tempering at elevated temperatures to improve the tempering efficiency, the effect of tempering time on the evolution of microstructure and mechanical properties of the steel wires tempered at 350 °C was systematically studied. The results demonstrate that tempering at 350 °C for 30 s can endow the steel wire with comparable mechanical properties to that of the one tempered at 250 °C for 2 h. With tempering time prolonging, the strength decreases gradually with the precipitated phase transition from χ-Fe5C2 carbide into θ-Fe3C carbide and coarsening, which plays a major role in the strength decrease.

This study investigates the Hagen–Poiseuille pipe flow of viscoplastic fluids, focusing on analytical predictions of concrete pumping using the shear-stress-dependent parabolic model. Research highlights encompass solving the steady laminar pipe flow for viscoplastic fluids described by the parabolic model, extending analytical studies to a nonlinear rheological model with easily accessible experimental parameters, presenting detailed results for the two-fluid parabolic model, and introducing computational apps implementing theoretical findings. The parabolic model outperforms linear models, such as the Bingham model, in accuracy by accounting for the nonlinearity in the shear stress and shear rate relations. The influence of rheological parameters on these relations is analyzed, and their versatility is demonstrated by a Wolfram Mathematica-based application program. This approach is adaptable for other models with shear stress as the independent variable, offering valuable insights into viscoplastic fluid flows.

This review article deals with the design of bioactive calcium phosphate coatings deposited on metallic substrates to produce bone implants. The bioceramic coating properties are used to create a strong bonding between the bone implants and the surrounding bone tissue. They provide a fast response after implantation and increase the lifespan of the implant in the body environment. The first part of the article describes the different compounds belonging to the calcium phosphate family and their main properties for applications in biomaterials science. The calcium to phosphorus atomic ratio (Ca/P)at. and the solubility (Ks) of these compounds define their behavior in a physiological environment. Hydroxyapatite is the gold standard among calcium phosphate materials, but other chemical compositions/stoichiometries have also been studied for their interesting properties. The second part reviews the most usual deposition processes to produce bioactive calcium phosphate coatings for bone implant applications. Plasma spraying is the main industrial process, but magnetron sputtering, pulsed laser deposition, electrospray deposition, electrophoretic deposition, and electrodeposition are also widely studied in academic and industrial research. The last part describes the main physicochemical properties of calcium phosphate coatings and their impact on the bioactivity of bone implants in a physiological environment.

Ni1-xGdxFe2O4 (x=0.02, 0.04, 0.06 & 0.08) (NGF) nanoparticles were synthesized via hydrothermal method. The X-ray diffraction study confirmed the single-phase cubic spinel structure. The morphology indicated the stones (approximately nanocubes) like structures in the FESEM images. The mass loss, and thermal transition temperatures were evaluated as a function of Gd-content using TG-DTG, and TG-DSC measurements. The M-H loops evidenced the high magnetization values for NGFO as compared to pure nickel ferrite. Cation distribution showed the preferred occupancy of cations in the magnetic spinel system. Frequency dependence of dielectric, conductivity, and impedance parameters was elucidated with increase in Gd-content.

This study aimed to extract bioactive compounds from apple (Malus domestica) peel waste using supercritical CO2 extraction. The bioactive fractions from apple peels from the three Italian cultivars were extracted applying a temperature of 60 °C and a pressure of 250 bar for 15 min. 20% ethanol was used as a co-solvent. The extraction process was carried out at a flow rate of 2 mL/min and their total polyphenol (TP), anthocyanin (TA), ascorbic acid (AA), and antioxidant activity contents (TAC) were measured. The extracts from the Stark cultivar had the highest levels of polyphenols, anthocyanins, and ascorbic acid, while the Royal Gala cultivar had the highest total antioxidant activity. Chromatographic analyses were also performed to characterize polyphenols. The extracts were then tested for their effect on the mitochondrial NADH-ubiquinone oxidoreductase (Complex I) activity on mitochondria isolated from human embryonic kidney cells (HEK239) cells, with the Stark extracts showing the most positive response in terms of NADH oxidation. These findings highlight the potential of apple peel waste as a source of functional phytocompounds and suggest the Stark cultivar extracts may have pharmacological applications. This study supports the circular bioeconomy by promoting the use of waste products as a valuable resource.

In this work, we obtained three new phosphorescent iridium complexes (Ir1-Ir3) of general stoichiometry [Ir(N^C)2(N^N)]Cl decorated with oligo(ethylene glycol) fragments to make them water soluble and biocompatible, as well as to protect them from aggregation with biomolecules such as albumin. The major photophysical characteristics of these phosphorescent complexes are determined by the nature of two cyclometallating ligands (N^C) based on 2-pyridine-benzothiophene, since quantum chemical calculations revealed that the electronic transitions responsible for the excitation and emission are localized mainly at these fragments. However, the use of various diimine ligands (N^N) proved to affect the quantum yield of phosphorescence and allows for changing the complexes sensitivity to oxygen, due to the variations in the steric accessibility of the chromophore center for O2 molecules. It was also found that the N^N ligands made possible to tune the biocompatibility of the resulting compounds. The wavelengths of the Ir1-Ir3 emission maxima fall in the range of 630-650 nm, the quantum yields reach 17% (Ir1) in deaerated solution and sensitivity to molecular oxygen, estimated as ratio of emission lifetime in deaerated and aerated water solution, displays the highest value 8.2 for Ir1. The obtained complexes feature low toxicity, good water solubility and the absence of a significant effect of biological environment components on the parameters of their emission. Of the studied compounds Ir1 and Ir2 have been chosen for in vitro and in vivo biological experiments aimed at estimation of oxygen concentration in cell lines and tumors. These sensors have demonstrated their effectiveness for mapping the distribution of oxygen and for monitoring hypoxia in biological objects studied.

Polymeric wet-strength agents are important additives used in the paper industry to improve the mechanical properties of paper products, especially when they come in contact with water. These agents play a crucial role in enhancing the durability, strength, and dimensional stability of paper products. The aim of this review is to provide an overview of the different types of wet-strength agents available and their mechanisms of action. We will also discuss the challenges associated with the use of wet-strength agents and the recent advances in the development of more sustainable and environmentally friendly agents. As the demand for more sustainable and durable paper products continues to grow, the use of wet strength agents is expected to increase in the coming years.

MCrAlYHf bond coats are employed in jet and aircraft engines, stationary gas turbines, and power plants, which require strong resistance to oxidation at high temperatures. The oxidation behavior of a free-standing CoNiCrAlYHf coating was investigated in this study. Isothermal oxidation tests were performed in air at 1050 °C on the specimens with various levels of surface roughness to investigate the oxidation kinetics. X-ray diffraction, focused ion beam, scanning electron microscopy (SEM), and scanning transmission electron microscopy were used to characterize the surface oxides. The surface roughness was examined using a contact profilometer and SEM. An empirical model was proposed to elucidate the impact of surface roughness on the oxidation behavior based on the correlation between the surface roughness level and oxidation rates.

Polysaccharides such as alginate and gellan gum are biocompatible and easily accessible biopolymers with excellent properties to produce microparticles as drug delivery systems. However, the production methods often fail in reproducibility, compromising the translational potential of such systems. In this work, microparticles made from gellan gum and alginate were optimized using the coaxial air flow method, and an inexpensive and reproducible production method. A Design of Experiments was used to identify the main parameters that affect the microparticle’s production and optimization, focusing on the diameter and dispersibility. Airflow was the most significant factor for both parameters. Pump flow affected the diameter, whilst the gellan gum/alginate ratio affected dispersibility. After optimization, microparticle swelling, drug entrapment and release profile were analyzed at two pH, 7.4 and 6.5. Using methylene blue as a model drug, higher encapsulation and swelling indexes were obtained at pH 7.4, whilst a more pronounced release occurred at pH 6.5. The microparticle release profiles were studied by resorting to well-known models, showing a Fickian type release. The developed microparticles show promising results as drug-delivery vehicles for biomedical applications.

The work reports a facile synthesis of high thermally-stable nanocrystalline anatase TiO2 nanoparticles (NPs) doped with different atomic concentrations (0.5, 1.0, 3.0, and 6.0%) of Gd3+ and Nd3+ ions by a template-free and one-step solvothermal process, using titanium(IV) butoxide as titanium precursor and dimethyl sulfoxide (DMSO) as solvent. The structure and morphology of the Gd3+, Nd3+, and 0.5%Gd3+-0.5%Nd3+/doped TiO2 NPs have been characterized by using various analytical techniques. The Gd3+/ and Nd3+/TiO2 molar ratios were found to have a pronounced impact on the crystalline structure, size, and morphology of TiO2 NPs. X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) studies revealed the proper substitution of Ti4+ by Gd3+ and Nd3+ ions in the TiO2 host lattice. The as-prepared Gdx/TiO2, Ndx/TiO2, and Gd1.0/Ndx/TiO2 bimetallic NPs, x = 0.5, 1.0, 3.0, and 6%, have been investigated as electrocatalysts for hydrogen evolution reaction (HER) in 1.0 M KOH solution using a variety of electrochemical techniques. At any doping percentage, the Gd1.0/Ndx/TiO2 bimetallic NPs showed higher HER catalytic performance than their corresponding counterparts i.e. Gdx/TiO2 and Ndx/TiO2. Upon increasing the Nd content from 0.5 to 6.0%, the HER catalytic performance of the Gd1.0/Ndx/TiO2 bimetallic NPs was generally enhanced. Among the studied materials, the bimetallic Gd1.0/Nd6.0/TiO2 NPs emerged as the most promising catalyst with an onset potential of -22 mV vs. RHE, a Tafel slope of 109 mV dec-1, and an exchange current density of 0.72 mA cm-2. Such HER electrochemical kinetic parameters are close to those recorded by the commercial Pt/C (onset potential: -15 mV, Tafel slope: 106 mV dec-1, and exchange current density: 0.80 mA cm-2), and also comparable with those measured by the most active electrocatalysts reported in the literature. The synergistic interaction of Gd and Nd is thought to be the major cause of the bimetallic catalyst's activity.

Protein-protein interactions (PPIs) are associated with various diseases; hence, they are important targets in drug discovery. However, the physicochemical empirical properties of PPI-targeted drugs are distinct from those of conventional small molecule oral pharmaceuticals, which adhere to the ”rule of five (RO5).” Therefore, developing PPI-targeted drugs using conventional methods, such as molecular generation models, is difficult. In this study, we propose a molecule generation model based on deep reinforcement learning, which is specialized for generating PPI inhibitor candidates. We successfully generated potential PPI inhibitor compounds by modifying the scoring functions of the existing small molecule generation model and constructed a virtual library of generated PPI inhibitor compounds.

Cyclic olefin copolymer (COC) is a novel type of thermoplastic polymer gaining the attention of the scientific community in electronic, optoelectronic, biomedicine and packaging applications. Despite the benefits in the use of COC like undoubted optical transparency, chemical stability, good water-vapor barrier and biocompatibility, its original hydrophobicity restricts its wider applicability and optimization of its performances. Presently, we report on the optical, and morphological properties of the films of COC covered with Ti in selected areas. The layer of Ti on COC was deposited by pulsed lased deposition processing. The Ti/COC film was characterized by UV-Vis spectroscopy indicating that its transmittance in the visible region decreased by about 20% with respect to the pristine polymer. The quality of the deposited Ti was assessed with the morphology by scanning electron (SEM) and atomic force microscopies (AFM). The modification of the wettability was observed by the sessile drop method indicating a reduction of the native hydrophilicity.

Biomimetic N-acetylcysteamine thioesters are essential for the study of polyketide synthases, non-ribosomal peptide synthetases and fatty acid synthases. The chemistry for their preparation is however limited by their specific functionalization and their susceptibility to undesired side reactions. This is especially detrimental to transition metal-catalyzed reactions. Here we report a method for the rapid preparation of N-acetylcysteamine (SNAC) 7-hydroxy-2-enethioates, which are suitable for the study of various enzymatic domains of megasynthase enzymes, particularly oxygen heterocycle-forming cyclase domains. The method is based on a one-pot sequence of hy-droboration and Suzuki-Miyaura reaction. Optimization of the reaction conditions made it possi-ble to suppress potential side reactions and to introduce the highly functionalized SNAC meth-acrylate unit in high yield. The versatility of the sequence was demonstrated on a dienal precur-sor, which was subjected to Brown crotylation followed by the hydroboration-Suzuki-Miyaura reaction sequence and deprotection, finally giving a complex polyketide SNAC thioester. Back-bone extension by six carbons and a terminal SNAC enethioate was achieved, introducing an E-configured double bond and two adjacent stereocenters in a highly selective manner. The pre-sented method allows for the synthesis of the target motif in significantly fewer steps and with higher overall yield than previously described approaches, while maintaining higher flexibility and control over the stereogenic elements. It is also the first reported example of a transition met-al-catalyzed cross-coupling reaction in the presence of an SNAC thioester.

Introduction of Cl- and O- atoms into C4-vinyl carbocations was studied by X-ray diffraction analysis and IR spectroscopy. Chlorine atoms are weak electron acceptors in ordinary molecules, but within vinyl carbocations, manifest themselves as strong electron donors that accept a positive charge. The attachment of a Cl atom directly to a C=C bond leads to an increase in the e-density on it, exceeding that of the common double bond. The positive charge should be concentrated on the Cl atom, and weak δ- may appear on the C=C bond. More distant attachment of the Cl atom—to a C atom adjacent to the C=C bond—has a weaker effect on it. If two Cl atoms are attached to the Сγ atom of the vinyl cation, as in Cl2СγСδHСαHCH3, then the cation switches to the allyl type with two practically equivalent and almost uncharged СγСδСα bonds. When such a strong nucleophile as the O atom is introduced into the carbocation, a protonated ester molecule with a C-O(H+)-C group and a C=C bond forms. Nonetheless, in the future, there is still a possibility of obtaining carbocations with a non-protonated C-O-C group.

We observed and studied the phenomenon of the redox front propagation in different polyaniline (PAni) deposited samples interfaced with liquid or solid polymeric electrolyte. The front of electrochemical conversion, in which the insulator and the conductor parts of PAni are interfaced, is studied observing the temporal evolution of the conductivity of PAni samples. The propagation of redox front was studied in electrochemically obtained thick (2 µm) and in thin (50 nm) poly-aniline films, obtained using Langmuir-Blodgett (LB) method. In the configuration that we tested, the speed of the red-ox front propagation for the thin LB films was found to be 200 micron/sec opening the way for the manufacturing large neural networks, realized using PAni based memristive devices, in which the memristance can be quickly changed in the programmable manner. The prototypes of the spiking neuron connections were manufactured on the basis of lithographically developed gold contacts, bridged by electrochemically grown polyaniline and placed under polymer electrolyte layer with only one counter electrode (gate) for the whole manifold of pseudo-two-terminal memristor bridges. The spike propagation was studied in such gold-polyaniline systems. The research opens the possibility of miniature spike or rate-based neural network circuits manufacture, based on metal pads and polyaniline.

The awareness of the existence in plants of bioactive compounds namely phytochemicals (PHYs), having health properties is progressively expanding. Therefore, their massive introduction in the normal diet, in food supplements, and their use as natural therapeutics to treat several diseases are increasingly emphasized by several sectors. Particularly, most PHYs possessing antifungal, antiviral, anti-inflammatory, antibacterial, antiulcer, anti-cholesterol, hypoglycemic, immunomodulatory, and antioxidant properties have been isolated from plants. Additionally, their secondary modification with new functionalities, to further improve their intrinsic beneficial effects, is extensively investigated. Unfortunately, although the idea of exploiting PHYs as therapeutics is amazing, its realization is far from simple, and the possibility of exploiting them as effective orally administrable drugs is almost utopic. Most PHYs are insoluble in water and, when introduced orally, they scarcely reach the site of action in therapeutic concentrations. Degradation by enzymatic and microbial digestion, occurring in the mouth, stomach, and intestine, as well as fast metabolism and rapid excretion via the kidney, biliary, or lung, strongly limit their in vivo activity. To overcome these drawbacks, several nanotechnological approaches have been used and many PHYs-loaded delivery systems with dimensions of nanometers have been developed. This paper, also by reporting various recent case studies, reviews the foremost nano-suspension and nano-emulsion-based techniques developed for formulating the most relevant PHYs in more bioavailable nanoparticles (NPs), suitable or promising for clinical application. Also, the acute and chronic toxic effects due to the exposure to NPs reported so far, the possible nanotoxicity which could derive by their massive employment, as well as the ongoing actions to improve the knowledge in the field were discussed. The state of the art concerning the actual clinical application of both PHYs and the nanotechnologically engineered PHYs was also reviewed.

Four previously undescribed highly oxygenated diterpenoids (1–4), zeylleucapenoids A–D, characterized by halimane and labdane skeletons, were isolated from the aerial parts of Leucas zeylanica. Their structures were elucidated primarily by NMR experiments. The absolute configuration of 1 was established by theoretical ECD calculations and X-ray crystallographic analysis, whereas those for 2−4 were assigned by theoretical ORD calculations. Zeylleucapenoid D (4), with an IC₅₀ value of 38.45 μM in RAW264.7 macrophages and nontoxic activity for zebrafish embryo, and obviously inhibited pro-inflammatory cytokines TNF-α and IL-6 in a dose-dependent manner. Compound 4 inhibited of the expression of inducible nitric oxide synthase (iNOS) and cyclooxygenase-2 (COX-2). Furthermore, molecular docking analysis indicated the possible mechanism of action for 4 may be bind to targets by hydrogen- and hydrophobic- bond interactions.

Organic light-emitting diodes (OLEDs) are energy-efficient; however, the coordinating ligand can affect their stability. Sky-blue phosphorescent Pt(II) complexes with a C^N chelate, fluorinated-dbi (dbi = [1-(2,4-diisopropyldibenzo[b,d]furan-3-yl)-2-phenyl-1H-imidazole]), and acetylactonate (acac)(1)/picolinate (pic)(2) ancillary ligands were synthesized. The molecular structures were characterized using various spectroscopic methods. The Pt(II) coordination sphere in 2 exhibited a distorted square-planar geometry, with several intra- and inter-molecular interactions involving Cπ⋯H/Cπ⋯Cπ stacking. Complex 1 emitted bright sky-blue light (λmax = 485 nm) with a moderate photoluminescent quantum efficiency of 0.37 and short decay time (6.1 µs) compared to those of 2. Time-dependent density functional theory calculations suggested that the electronic transition of 1 arose from ligand(C^N)-centered π–π* transitions combined with metal-to-ligand charge transfer transitions (MLCT), whereas that of 2 arose from MLCT and ligand(C^N)-to-ligand(pic) charge transfer (LLCT), with minimal contribution from the C^N chelate to the lowest unoccupied molecular orbital. Multi-layered phosphorescent OLEDs using 1 as a dopant and a mixed host, 3,3-di(9H-carbazol-9-yl)-1,1-biphenyl:3-di(9H-carbazol-9-yl)-1,1-biphenyl (mCBP)/9-(3’-carbazol-9-yl-5-cyano-biphenyl-3-yl)-9H-carbazole-3-carbonitrile (CNmCBPCN) were successfully fabricated. At a 10% doping of 1, a current efficiency of 13.6 cd A−1 and external quantum efficiency of 8.4 % at 100 cd m−2 were achieved. These results show that the ancillary ligand in phosphorescent Pt(II) complexes must be considered.

Virgin coconut oil (VCO) is a functional food with important health benefits. Its economic interest encourages fraudsters to deliberately adulterate VCO with cheap and low-quality vegetable oils for financial gain, causing health and safety problems for consumers. In this context, there is an urgent need for rapid, accurate and precise analytical techniques to detect VCO adulteration. In this study, the use of Fourier Transform Infrared (FTIR) spectroscopy combined with Multivariate Curve Resolution - Alternating Least Squares (MCR-ALS) methodology was evaluated to verify purity or adulteration of VCO with reference to several low-cost commercial oils such as sun-flower, maize and peanut oils. Control charts were developed to assess the purity of oil samples using MCR-ALS scores values calculated from a data set of pure and adulterated oils. In addition, quantification models were developed using MCR-ALS with correlation constraint for adulterated coconut oil to assess the blend composition. Different data pre-treatment strategies were tested in order to best extract the information contained in the sample fingerprints, and the calibration models were optimised using a genetic algorithm (GA) to select the most important variables. The models gave satisfactory results in external validation procedure, with absolute errors of less than 4.6 % for samples adulterated with sunflower, maize and peanut oils.

This work is devoted to the study of active and stable nickel catalysts for methane dry reforming based on Pr-doped ceria-zirconia obtained by solvothermal continuous method. The studies of physicochemical and catalytic properties of the 5%Ni\Ce0.75Zr0.25-xPrxO2 series showed that Pr introduction leads to an increase in the amount of highly reactive oxygen of the oxide lattice. Praseodymium-based catalysts showed significantly higher reactant conversions. In addition to the nature of support, the method of nickel introduction was also studied - Ni was added both by impregnation and one-pot with mixed oxide preparation. The method of Ni addition was shown to have significant effect on the morphology of the supported active component and, respectively, on the catalytic activity. The 5%Ni/Ce0.75Zr0.15Pr0.1O2 catalyst prepared by one-pot method showed stable operation in the MDR reaction for 30 hours at CO2 and CH4 conversions of ~40% and an H2 yield of ~18% (Т=700°С, τ=10ms).

This study investigated the impact of boron and copper on the microstructure and mechanical properties of Spheroidal graphite Cast Iron (SCI). The addition of boron increased the ferrite content, while copper increased the stability of pearlite. The interaction between boron and copper significantly increased the ferrite content. Differential Scanning Calorimetry (DSC) revealed that boron decreased the enthalpy change of the α + Fe3C -> γ transformation and increased the enthalpy change of the α -> γ transformation. The addition of boron and copper reduced the tensile and yield strength but increased elongation and impact energy. The findings provide valuable insights into the effect of boron and copper on SCI, facilitating the design and development of high-performance SCI materials.

A conjugate compound 5, (E)-6-hydroxy-2-oxo-2H-chromen-7-yl 3-(4-hydroxy-3-methoxyphenyl)acrylate, of 6,7-hydroxycoumarin (esculetin) 3 and (E)-3-(4-hydroxy-3-methoxyphenyl)- acrylic acid (ferulic acid) 1 was prepared in 61% yield by the esterification reaction of a protected ferulic acid 2a with esculetin 3 in the presence of triethylamine in dichloromethane for 3 h, followed by deprotection using 3M HCl. The structure of compound 5 was confirmed by 1H, 13C NMR spectroscopy, mass-spectrometry and elemental analysis.

With the development of industrialization, traditional manufacturing technologies are no longer able to meet the production needs of modern society. Additive manufacturing has successfully solved the problems existing in traditional manufacturing technology. Selective laser melting (SLM) is a powder bed melting technology that produces metal parts by selectively melting metal powders on a platform using a laser beam. It is widely used in additive manufacturing. This article introduces the characteristics and current development status of SLM technology, summarizes the main application fields and common defects of SLM, and finally explores and prospects the future development trend of SLM.

Semiconductor photocatalytic performances can be modulated through morphology modification. Herein porous hierarchical BiOBr microspheres (BiOBr-MS) of ~3 m was firstly self-assembled without the assistance of a template via a facile solvothermal synthesis in triethylene glycol (TEG) at 150 oC for 3 h. KBrO3 was exploited as a bromine source, which slowly provided bromide ions upon reduction in TEG and controlled the growth and self-assembly of primary BiOBr nanoplates. The addition of PVP during solvothermal synthesis of BiOBr-MS reduced the particle size by about three-fold to generate BiOBr sub-microspheres (BiOBr-sMS) of <1 m. BiOBr-sMS exhibited significantly higher photocatalytic activity than BiOBr-MS for aerobic photooxidation of benzyl alcohol (BzOH) to benzaldehyde (BzH) under simulated sunlight irradiation (conversions of BzOH (50 mM) over BiOBr-sMS and BiOBr-MS were respectively 51.3% and 29.6% with 100% selectivity to BzH after Xenon illumination for 2 h at 25 oC). The photogenerated holes and •O2- were found to be main reactive species for the BzOH oxidation over BiOBr spheres by scavenging tests and spin-trapping EPR spectra. The higher photocatalytic activity of BiOBr-sMS was attributed to its more open hierarchical structure, efficient charge separation, more negative conduction band position and generation of larger amounts of •O2-.

Methyl Salicylate (MS), the principal constituent of Wintergreen oil (WO) was obtained from acetyl salicylic acid (ASA) by sequential transesterification-esterification reaction promoted by NbCl5for the first time. The reagents were added simultaneously, and the reaction process involved the transesterification and esterification reactions, which were accompanied by thin layer chromatography and gas chromatography. The conversion rate via GC was 100%, and the MS yield was 94%. A cytotoxicity of 50% and 64% for cultured S. aureus and metastatic melanoma cells, respectively, was observed for a concentration of 0.6 mg/mL, whereas no cytotoxicity for non-tumor cells was observed for this concentration, and it is considered to be the optimum concentration.

In this paper we propose a simple procedure to obtain multi-walled carbon nanotubes (MWCNT) decorated with TiO₂-Ag nanoparticles (MWCNT-TiO₂-Ag). MWCNT were decorated with TiO2-Ag via combined functionalisation with -OH and –COOH groups and polymer wrapping technique using poly(allylamine hydrochloride) (PAH). TiO₂ modified Ag nanoparticles were synthesized through Pechini method using mixture of acetylacetonate-modified titanium (IV) isopropoxide with silver nitrate (the Ag+/Ti4+ atomic ratio, is 0.5, 1,0, 1.5, 2.0 and 2.5 %, respectively) and the L(+)-ascorbic acid, as reducing agents. XRD analysis revealed the formation of nanocomposite containing CNT, TiO₂ (anatase and rutile) and Ag. By SEM was evidenced the presence of the nanoparticles on MWCNT surface. The increases of the ratio between Ag⁺ and Ti⁴⁺ decrease the band gap energy of the samples. In Raman spectra the characteristic vibration of the TiO₂, Ag and C atoms of graphite are identified. The photocatalytic activity of the MWCNT-TiO₂-Ag nanocomposite was assessed by examining the degradation of Allura red (E129) aqueous solution under UV irradiation. The dye photodegradation process follows a pseudo – first – order kinetic with respect to the Langmuir – Hinshelwood reaction mechanism.

Despite the fact that strong routine separation methodologies can give reliable specificity and validity at usual working pharmaceuticals concentrations, they may fail at very low concentration levels. This poses considerable challenges for researchers inves-tigating product purity and therapeutic drug monitoring. Sensitivity enhancement pro-cedures are thus required to maximize the performance of separation techniques. Large volume injection, solid phase extraction/solid phase enrichment (SPE/SPEn), pre-, post-, and in-column derivatization, as well as the use of sensitive detection devices are the simplest strategies for improving sensitivity of the separation-based analytical techniques. Large volume injection of samples with online SPE/SPEn coupled with separation techniques increased sensitivity and improved detection as well as quantification limits without affecting peak shape and system performance. Although the primary purpose of derivatization is to improve sensitivity and selectivity, greener derivatization is growing in popularity and should be considered in analytical chemistry. In general, two strategies are essential for accomplishing greener derivatization goals. The first is the search for and use of ecologically acceptable derivatizing reagents, solvents, and reaction conditions. The second is miniaturization and automation of analytical methods. This review discusses significant advances in separation-based analytical techniques, specifically enrichment approaches and detector signal improvement for pharmaceutical quantification in various matrices at very low concentration levels. As a result of improved analytical systems setup in drug assays, the possibility of high-throughput analyses was also highlighted.

The use of interleaving material with viscoelastic properties is one of the most effective solutions to improve the damping capacity of CFRP laminates. Improving composite damping without threatening mechanical performance is challenging and the use of nanomaterials should lead to the target. In this paper, the effect of a nanostructured interlayer based on Graphite Nanoplatelets (GNPs) on the damping capacity and fracture toughness of CFRP laminates has been investigated. High-content GNP/Epoxy (70wt/30wt) coating was sprayed on the surface of CF/Epoxy prepregs at two different areal weight (10 and 40 g/m2) and incorporated at the middle-plane of a CFRP laminate. The effect of the GNP areal weight on viscoelastic and the mechanical behaviour of the laminates was investigated. Coupons with low-areal weight GNP interlayer showed a 25% increase in damping capacity with a trivial reduction of the elastic modulus. Moreover, a reduction in interlaminar shear strength (ILSS) and fracture toughness (both mode I and mode II) was observed in the composites with GNPs interlayer. GNPs alignment and degree of compaction reached during process were found as key parameters on material performances. By increasing the areal weight a mitigation on the mechanical performances drop was achieved (-15%).

The identification and quantitative determination of wool and fine animal fibers are of great interest in the textile field because of significant price differences between them and common adulterations in raw and processed textiles. Since animal fibers have remarkable similarities in their chemical and physical characteristics, specific identification methods have been studied and proposed following advances in analytical technologies. The identification methods of wool and fine animal fibers are reviewed in this paper and the results of relevant studies are listed and summarized, starting from classical microscopy methods which are still used today not only in Small to Medium Enterprises but also in large industries, research studies and quality control laboratories. Particular attention has been paid to image analysis, Nir spectroscopy and proteomics which constitute the most promising technologies of quality control in the manufacturing and trading of luxury textiles and can find application in forensic science and archeology.

The sustainable development of innovative eco-friendly multifunctional nanocomposites, possessing superior characteristics, is a noteworthy topic. Novel semi-interpenetrated nanocomposite films based on poly(vinyl alcohol) covalently and thermally crosslinked with oxalic acid (OA), reinforced with a novel organophosphorus flame retardant (PFR-4) derived from co-polycondensation in solution reaction of equimolar amounts of co-monomers, namely, bis((6-oxido-6H-dibenz[c,e][1,2]oxaphosphorinyl)-(4-hydroxyaniline)-methylene)-1,4-phenylene, bisphenol S, and phenylphosphonic dichloride, in a molar ratio of 1:1:2, and additionally doped with silver-loaded zeolite L nanoparticles (ze-Ag), have been prepared by casting from solution technique. The morphology of the as prepared PVA-oxalic acid films and their semi-interpenetrated nanocomposites with PFR-4 and ze-Ag was investigated by scanning electron microscopy (SEM), while the homogeneous distribution of the organophosphorus compound and nanoparticles within the nanocomposite films has been introspected by means of energy dispersive X-ray spectroscopy (EDX). It was established that composites with a very low phosphorus content had noticeably improved flame retardancy. The peak of the heat release rate was reduced up to 55%, depending on the content of the flame retardant additive and the doping ze-Ag nanoparticles introduced into the PVA/OA matrix. The ultimate tensile strength and elastic modulus increased significantly in the reinforced nanocomposites. Considerably increased antimicrobial activity was revealed in the case of the samples containing silver-loaded zeolite L nanoparticles.

Nutrigenomics is the study of the interaction of nutrition and genes, focusing on the influence of nutrients on the genome, proteome, and metabolome, and how nutrition affects human health. In the context of nutrigenomics, bioactive components are dietary ingredients that may transmit information from the external environment and alter gene expression in the cell, and hence the overall function of the organism. It is critical to consider food not only as a source of energy and essential nutrients necessary for life and growth, but also as a factor impacting health/disease, biochemical processes, biochemical pathway activation and affecting the diversity of the gut microbiome. Antimicrobial resistance in pathogenic and commensal microorganisms has emerged as a major public health concern due to emerging antimicrobial resistance genes in E. coli isolates from pig, cattle, chicken, and turkey meat, against tetracycline, streptomycin, and sulfonamides. Also, Salmonella spp. and Campylobacter spp. have shown antibiotic resistance at farms and slaughterhouses, and in animal-based food products. A correlation has been proven between a critical nutrient-responsive signaling system and catabolite control of gene expression, and a two-component signaling system that drives antibiotic resistance in E. faecalis, revealing a previously unknown integration between the nutritional status of the cell and intrinsic antibiotic resistance. Moreover, different nutrigenomic approaches can be applied to mitigate possible emergence of antimicrobial resistance against novel antibiotics. However, little progress has been achieved in converting nutrigenomics information into clinical advice, so far.

Single-Molecule Magnets (SMMs) have attracted much interest because of their spin properties and potential technological applications. Besides, a great effort has been devoted to their functionalization, which is made with functional groups convenient to connect suitable SMMs to junction devices or to perform their grafting on surfaces of different substrates. We have synthesized and characterized two lipoic acid-functionalized and oxime-based MnIII compounds, of formula [Mn6(μ3-O)2(H2N-sao)6(lip)2(MeOH)6][Mn6(μ3-O)2(H2N-sao)6(cnph)2(MeOH)6]}·10MeOH (1) and [Mn6(μ3-O)2(H2N-sao)6(lip)2(EtOH)6]·EtOH·2H2O (2) [H2N-saoH2 = salicylamidoxime, lip = lipoate anion, cnph = 2-cyanophenolate anion]. 1 crystallizes in the triclinic system with space group Pī and 2 crystallizes in the monoclinic system with space group C2/c. In their crystal packing, adjacent Mn6 complexes are connected through non-coordinating solvent molecules, which are H-bonded to N atoms of –NH2 groups of salicylamidoxime ligand. In addition, Hirshfeld surfaces of 1 and 2 were calculated to study the variety of intermolecular interactions and different level of importance that take place in their crystal lattice, this type of computed study being the first time performed on Mn6 molecules. The study of the magnetic properties of 1 and 2 through dc magnetic susceptibility measurements reveals the coexistence of ferro- and antiferromagnetic exchange couplings between the Mn(III) metal ions in both compounds, the latter being the predominant magnetic interaction. A ground state spin value of S = 4 was obtained through isotropic simulations of the experimental magnetic susceptibility data for both 1 and 2. Ac magnetic susceptibility measurements show the occurrence of slow relaxation of the magnetization in 1 and 2, which indicate that SMM behavior take place in both compounds.

Lead-free copper halide perovskite nanocrystals (NCs) are emerging materials with excellent photoelectric properties. Herein, we present a colloidal synthesis route of orthorhombic Cs2CuCl4 NCs with well-defined cubic shape and an average diameter of 24 ± 2.1 nm. The Cs2CuCl4 NCs exhibit bright deep blue photoluminescence, which is attributed to the Cu(II) defects. In addition, passivating the Cs2CuCl4 NCs by Ag+ can effectively improve the photoluminescence quantum yield (PLQY) and environmental stability.

Infectious diabetic wounds can result in severe injuries or even death. Biocompatible wound dressings offer one of the best ways to treat these wounds, but creating a dressing with suitable hydrophilicity and biodegradation rate can be challenging. To address this issue, we used the electrospinning method to create a wound dressing composed of poly(glycerol sebacate) (PGS) and gelatin (Gel). We dissolved the PGS and Gel in acetic acid (75 v/v%) and added EDC/NHS solution as a crosslinking agent. Our measurements revealed that the scaffolds' fiber diameter ranged from 180.2 to 370.6 nm, and all the scaffolds had porosity percentages above 70%, making them suitable for wound healing applications. Additionally, we observed a significant decrease (p &lt; 0.05) in the contact angle from 110.8° ± 4.3° for PGS to 54.9° ± 2.1° for PGS/Gel scaffolds, indicating an improvement in hydrophilicity of the blend scaffold. Furthermore, our cell viability evaluations demonstrated a significant increase (p &lt; 0.05) in cultured cell growth and proliferation on the scaffolds during the culture time. Our findings suggest that the PGS/Gel scaffold has potential for wound healing applications.

Liquid biopsy has been developed to diagnose and monitor cancer. Despite the recent advances in investigating early cancer detection and diagnosis strategies, there is still a lack of improvements in capturing (CTCs). To archive this, we developed an efficient CTC detection system by integrating gold nanoparticles and a microfluidic platform, which can achieve CTC capture within 120 min. The microdevice was functionalized by immobilizing antibodies specific to the target cells. The method was tested with spiked tumor cells in whole human blood with three pancreatic cancer cell lines and compared with purified cancer cells suspended in a phosphate buffer solution. Our results captured pancreatic cancer cells spiked in blood samples with efficiency (90±3.2)% and were used to isolate CTCs from patients with metastatic pancreatic cancer. This methodology will enable the production of functionalized, patterned surfaces that interact with tumor cells, enhancing the selective capture of CTCs from biological assays.

On the aero-engine combustor liner, a phenomenon of overheating resembling a hot spot exists, accompanied by a preferential peeling of the YSZ thermal barrier coating that will negatively affect the service life of the component. The temperature gradient of the hot spot may affect the YSZ fracture pattern.In this paper, the morphological and property changes of YSZ sintering is investigated experimentally, and a coupled analysis of the YSZ Crack Propagation Mode under the hot spot is performed using ABAQUS. The results show that the pore fractal size D of YSZ increases by 15%. Inside the hot spot region, the coating has a shear stress of 75MPa. By inserting Cohesive units globally in the model to simulate the random crack initiation and propagation, unlike the thinning of YSZ layered peeling caused by uniform superheating, hot spot will cause the crack initiation at the tip of the pores inside the coating and the oblique propagation, eventually forming an oblique crack connection through the pores. When the temperature gradient reaches 30K/mm, the crack propagation is 40% greater than in a uniform temperature field; consequently, the YSZ in the hot spot boundary region with a greater temperature gradient results in more severe bulk peeling.

Rapid, accurate, and convenient diagnosis is essential for effective disease management. Various detection methods, such as enzyme-linked immunosorbent assay, have been extensively used, with lateral flow immunoassay (LFIA) recently emerging as a major diagnostic tool. Nanoparticles (NPs) with characteristic optical properties are used as probes for LFIA, and researchers have presented various types of optical NPs with modified optical properties. Herein, we review literature on LFIA with optical NPs for the detection of specific targets in the context of diagnostics.

The reckless use of non-replenishable fuels by the growing population for energy and the resultant incessant emission of hazardous gases and waste products into the atmosphere insisted scientists to fabricate materials capable of managing these global threats at once. In recent studies, photo-catalysis employed focus on utilizing renewable solar energy to initiate chemical processes with the aid of semiconductors and highly selective catalysts. A wide range of nanoparticles have showcased promising photocatalytic properties. Ultrasmall metal nanoclusters (MNCs) with sizes below 2 nm, stabilized by ligands shows discrete energy levels, exhibits unique optoelectronic properties which are vital to photocatalysis. In this review, we intend to compile information on varying photocatalytic efficiency of metal NCs with respect to changes in their properties. Review discusses about the photocatalytic activity of atomically precise ligand-protected MNCs and its hybrids in the domain of in energy conversion processes like photodegradation of dyes, Oxygen Evolution Reaction (ORR), Hydrogen Evolution Reaction (HER) and CO2 Reduction Reaction (CO2RR), and photosensitizer in solar cell.

Red mud (RM) is composed of a waste alkaline solution (pH = 13.3) obtained from the production of alumina. It contains high concentrations of soluble hematite (Fe2O3), goetite (FeOOH), gibisite [Al(OH)3], a boemite (AlOOH), anatase (Tetragonal - TiO2), rutile (Ditetragonal dipyramidal - TiO2), hydrogarnets [Ca3Al2(SiO4)3−x(OH)4x], and perovskite (CaTiO3). It was shown to be an excellent catalytic mixture for biodiesel production. To demonstrate the value of RM, an environmentally friendly process of transesterification in aqueous medium using waste cooking oil (WCO), MeOH and waste alkaline solution (WAS) obtained from aluminum production was proposed. Triglycerides of WCO reacted with MeOH at 60 oC to yield mixtures of fatty acid methyl esters (FAMEs) in the presence of 0.019% (w/w) WAS/WCO using the WAS (0.204 mol L-1, predetermined by potentiometric titration) from aluminum production by the Bayer process. The use of the new catalyst (WAS) resulted in a high yield of the products (greater than 99% yield).

In this study composite with alternate layers of 5056 and 1580 alloys was manufactured by wire arc additive manufacturing technology. It is shown that increased strength characteristics of composite material can be obtained due to deformation treatment by high-pressure torsion (HPT) technique. The microstructure and mechanical properties of the HPT-processed material in different structural states were investigated. The HPT-processed material exhibits high value of ultimate tensile strength (~ 770 MPa) but low ductility. Short-term annealing at 250 oС and additional deformation by HPT to 0.25 of revolution at room temperature resulted in a slight decrease in material’s strength to ~ 700 MPa but provided ductility ∼ 9%. Physical mechanisms to improve plasticity in correlation with microstructure evolution is discussed.

Silicon-based thin-films and nanostructures are of paramount importance in a wide range of applications, including microelectronics, photovoltaics, large area sensors, as well as biomedicine. The wide accessibility of silicon and its relatively low cost have driven a continuous improvement of the technology based on this element. Plasma technology has been widely used for the synthesis of coatings and nanostructures based on silicon. Moreover, it has given a fundamental contribution for continuously improving the control of the physicochemical properties of silicon-based materials, and for allowing the synthesis of nanometric structures with well-defined shape and morphology. In this work, we have reviewed the most interesting developments of plasma-assisted processed for the synthesis of Si-based materials, both inorganic and organic, in the last five years. A special attention has been given to the new techniques, or modifications of already existing ones, that open new possibilities for the synthesis of materials with new properties, as well as nanostructures with novel characteristics.

The present work is focused on functionalizing Montmorillonite (Mt) with poly dimethyl siloxane (PDMS) to develop a hybrid membrane reactor for the removal of Co (II) and Ni (II) ions from model wastewater samples. The specific surface area of the novel material was found to be 444 m2 /g. X-Ray Diffraction (XRD) and Fourier Transform Infra-Red (FTIR) spectra reveal the formation of exfoliated composite material. The efficiency of this membrane material was determined by subjecting it to continuous filtration experiments. It was able to remove 50% of Co (II) and 75% of Ni (II) ions, respectively, in one cycle of filtration in less than three minutes of operation with a permeate flux rate of 675 L/m2/H and 975 L/m2/H respectively, for both the ions.

The processes of the sublimation and thermal decomposition of the 1‐ethyl‐3‐methylimidazolium hexafluorophosphate ionic liquid (EMImPF6) were studied by a complex approach including Knudsen effusion mass spectrometry, IR and NMR spectroscopy, and quantum chemical calculations. It was established that the vapor over liquid phase primarily consists of decomposition products under equilibrium conditions. Otherwise, the neutral ion pairs are the only vapor components under Langmuir conditions. To identify the nature of the decomposition products an experiment on the distillation of the ionic liquid was performed and the collected distillate was analyzed. It was revealed by the IR and NMR spectroscopy that EMImPF6 decomposes to substituted imidazole‐2‐ylidene (C6N2H10PF5) and HF. The measured vapor pressure of C6N2H10PF5 reveals a very low activity of the decomposition products (&lt;10–4) in the liquid phase. The absence of significant accumulation of decomposition products in the condensed phase makes it possible to determine the enthalpy of sublimation of the ionic liquid assuming its unchanged activity. The thermodynamics of the EMImPF6 sublimation was studied by Knudsen effusion mass spectrometry. The formation enthalpy of EMImPF6 in ideal gas state was found from combination of the sublimation enthalpy and formation enthalpy of ionic liquid in the condensed state. The obtained value is in good agreement with those calculated by quantum chemical methods.

This paper mainly used database technology, machine learning, thermodynamic calculation, experimental verification, etc., on integrated computational materials engineering. The interaction between different alloying elements and the strengthening effect of precipitated phases are investigated mainly for martensitic ageing steels. Modelling and parameter optimization were performed by machine learning, and the highest prediction accuracy was 98.58%. Investigated the influence of composition fluctuation on performance and correlation tests to analyze the influence of elements from multiple perspectives. Furthermore, screen out the three-component composition process parameters with composition and performance with high contrast. Thermodynamic calculations studied the effect of alloying element content on the nano-precipitation phase, Laves phase, and austenite in the material. The heat treatment process parameters of the new steel grade were also developed based on the phase diagram. A new type of martensitic ageing steel was prepared by selected vacuum arc melting. The sample with the highest overall mechanical properties had a yield strength of 1887 MPa, a tensile strength of 1907 MPa, and a hardness of 58 HRC. The sample with the highest plasticity had an elongation of 7.8%. The machine learning process for the accelerated design of new ultra-high tensile steels was found to be generalizable and reliable.

Starting from acid chlorides, alkynes, tryptamines, and acroyl chloride, 21 densely substituted tetrahydro-beta-carbolines are prepared in a four-component one-pot reaction. In this study, the aza-Michael addition step to generate intermediate enaminones is optimized in the presence of ytterbium triflate. Moreover, apart from acroyl chloride, all reactants can be deployed in almost equimolar ratios, which increases the atom economy of the sequence. For mechanistic rationali-zation, the concluding aza-anellation was investigated by DFT calculations on potential inter-mediates and corresponding activation energies, revealing that the aza-anellation rather pro-ceeds via ene-reaction than via electrocyclization.

To evaluate the anti-obesity effects of Smilax sieboldii (Smilacaceae), we screened methylene chlo-ride (CH2Cl2), ethyl acetate (EtOAc), aqueous-saturated n-butanol, and ethanol (EtOH) extracts of the whole plant at various concentrations to inhibit adipogenesis in adipocytes. The 3T3-L1 cell line with Oil red O staining with the help of fluorometry was used as an indicator of anti-obesity ac-tivity. Bioactivity-guided fractionation of the EtOH extract and subsequent phytochemical inves-tigation of the active CH2Cl2- and EtOAc-soluble fractions resulted in the isolation of 19 secondary metabolites (1–19), including a new α-hydroxy acid derivative (16) and two new lanostane-type triterpenoids (17 and 18). The structures of these compounds were characterized using various spectroscopic methods. All the isolated compounds were screened for adipogenesis inhibition at concentration of 100 μM. Of these, compounds 1, 2, 4-9, 15, and 19 significantly reduced fat ac-cumulation in 3T3-L1 adipocytes, especially compounds 4, 7, 9, and 19 showing 37.05 ± 0.95, 8.60 ± 0.41 15.82 ± 1.23, and 17.73 ± 1.28% lipid content, respectively, at a concentration of 100 μM. These findings provide experimental evidence that isolates from S. sieboldii extracts exert beneficial ef-fects regarding the regulation of adipocyte differentiation.

The prospective applications of chitosan-based hydrogels (CBHs), a category of biocompatible and biodegradable materials, in biomedical disciplines such as tissue engineering, wound healing, drug delivery, and biosensing have garnered great interest. The synthesis and characterization processes used to create CBHs play a significant role in determining their characteristics and effectiveness. The processing procedure could be tailored to obtain specific features like porosity, swelling, mechanical strength, degradation rate, and bioactivity, affecting the properties of CBHs to a great extent. Additionally, characterization methods aid in gaining access to the microstructures and properties of CBHs. Especially, this review provides a comprehensive assessment of the state-of-the-art with a focus on the affiliation between particular properties and application domains. The main obstacles and prospects for the future of CBH development for biomedical applications are also covered in the review.

The paradigm of drug delivery via nano- and microcarriers is one of the leading ideas that enable overcoming the limitations of traditional chemotherapy. The trend toward more complex drug carriers capable of multifunctionality is observed in the literature. To date, prospects of stimuli-responsive systems to control the cargo release in the lesion nidus are widely accepted. Both endogenous and exogenous stimuli are employed for this purpose, however, endogenous pH is one of the most common triggers. Unfortunately, scientists face difficulties in the implementation of this idea since a range of biological barriers, drug bioavailability issues, and challenges in the synthesis of carriers with required properties have arisen. Here, we discuss fundamental strategies of pH-responsive drug delivery as well as limits in its application and reveal the main problems, weak sides, and reasons for poor clinical results. Also, we have made an attempt to formulate the profiles of "ideal" drug carrier in the frame of different strategies and considered recently published studies through the lens of these profiles. This approach enables the identification of current trends and promising vectors in the development of pH-responsive drug delivery systems, as well as challenges to be resolved in the next generation of carriers.

Fibroblast activation protein (FAP) is a membrane-tethered serine protease overexpressed in the reactive stromal fibroblasts of &gt; 90% human carcinomas, which makes it a promising target for developing radiopharmaceuticals for imaging and therapy of carcinomas. Here, we synthesized two novel (R)-pyrrolidin-2-yl-boronic acid-based FAP-targeted ligands; SB02055 (DOTA-conjugated (R)-(1-((6-(3-(piperazin-1-yl)propoxy)quinoline-4-carbonyl)glycyl)pyrrolidin-2-yl)boronic acid) and SB04028 (DOTA-conjugated ((R)-1-((6-(3-(piperazin-1-yl)propoxy)quinoline-4-carbonyl)-D-alanyl)pyrrolidin-2-yl)boronic acid). natGa- and 68Ga-complexes of both ligands were evaluated in preclinical studies and compared to previously reported natGa/68Ga-complexed PNT6555. Enzymatic assays showed that FAP binding affinities (IC50) of natGa-SB02055, natGa-SB04028 and natGa-PNT6555 were 0.41±0.06, 13.9±1.29 and 78.1±4.59 nM, respectively. PET imaging and biodistribution studies in HEK293T:hFAP tumor-bearing mice showed that while [68Ga]Ga-SB02055 presented with a nominal tumor uptake (1.08±0.37 %ID/g), [68Ga]Ga-SB04028 demonstrated clear tumor visualization with ~1.5-fold higher tumor uptake (10.1±0.42 %ID/g) compared to [68Ga]Ga-PNT6555 (6.38±0.45 %ID/g). High accumulation in the bladder indicated renal excretion of all three tracers. [68Ga]Ga-SB04028 displayed low background level uptake in most normal organs, and comparable to [68Ga]Ga-PNT6555. However, since its tumor uptake was considerably higher than [68Ga]Ga-PNT6555, the corresponding tumor-to-organ uptake ratios for [68Ga]Ga-SB04028 were also significantly greater than [68Ga]Ga-PNT6555. Our data demonstrate that (R)-(((quinoline-4-carbonyl)-D-alanyl)pyrrolidin-2-yl)boronic acid is a promising pharmacophore for the design of FAP-targeted radiopharmaceuticals for cancer imaging and radioligand therapy.

This paper describes methods for evaluating the thermal properties of textile materials, clothing composites, and clothing using an integrated measurement system that includes a hot plate, a multi-purpose differential conductometer, a thermal manikin, a temperature gradient measurement device, and a device for measuring the physiological parameters of the human body during the exact evaluation of garment thermal comfort. In practice, measurements were taken on four types of materials widely used in the production of conventional and protective clothing. The measurements were carried out using a hot plate and a multi-purpose differential conductometer, determining the thermal resistances of the material in its uncompressed form and a force that was ten times greater than that needed to determine its thickness. Using a hot plate and a multi-purpose differential conductometer, thermal resistances of textile materials were assessed at different levels of material compression. On hot plates, both conduction and convection had an impact on thermal resistance, but in multi-purpose differential conductometer, only conduction did. Moreover, the reduction of thermal resistance was observed while compressing textile materials.

RNA interference (RNAi) using small interfering RNAs (siRNAs) is a powerful tool to target any protein of interest and is becoming more implementable for in vivo applications due to recent developments in RNA delivery systems. To exploit RNAi for cancer treatment, it is expedient to increase its selectivity by e.g. a prodrug approach to activate the siRNAs upon external triggering, e.g. by using light. Red light is especially well suitable for in vivo applications due to its low toxicity and higher tissue penetration. Known molecular (not nanoparticle based) red light activatable siRNA prodrugs rely on singlet oxygen (1O2) mediated chemistry. 1O2 is highly cytotoxic. Additionally one of the side products in the activation of the known siRNA prodrugs is anthraquinone, which is also toxic. We here report on an improved red light activatable siRNA prodrug, which do not require 1O2 for their activation. The 5’ terminus of its antisense strand is protected with an electron-rich azobenzene promoiety. It gets reduced and cleaved upon red light exposure in the presence of Sn(IV)(pyropheophorbide a)dichloride acting as a catalyst and ascorbate required as a bulk reducing agent producing active siRNAs.

This study is focused on the mechanical properties of WC-Co composites obtained via Selective Laser Sintering using PA12 as a binder. The as-printed samples were thermally debonded, and sintered, first in vacuum, and then sinter-HIPed at 1400oC, using 50 bar Ar, which has led to relative densities up to 66 %. Optical metallographic images show a microstructure consisting of WC, with an average grain size in the range of 1.4 – 2.0 µm, with isolated large grains, in a well-distributed Co matrix. The shrinkage of the samples was 43 %, with no significant shape distortion. The printing direction of the samples has a great impact on the transversal rupture strength (TRS). Nevertheless, the bending strength was low, with a measured maximum of 612 MPa. SEM images of the fracture surface of TRS samples show the presence of defects that constitute the cause of the low measured values. The hardness values position the obtained composites in the range of medium coarse classical cemented carbides. The results were also related to the amount of free Co after sintering, close to the initial one, as assessed by magnetic measurements, indicating a low degree of interaction with PA12 decomposition products.

Abstract: Arranged patterns obtained by ultrafast laser processing on the surface of Ti/Cu/Ti/Si and Ti/Zr/Ti/Si thin film systems are reported. Two differently designed multilayer thin films, Ti/Cu/Ti/Si and Ti/Zr/Ti/Si, were deposited on silicon by the ion sputtering method. The bioactive surfaces on these systems involve the formation of laser-induced periodic surface structures (LIPSS) in each of the laser-written lines of mesh patterns on 5x5 mm areas. The formation of nano- and micro-patterns with an ultra-thin oxide film on the surfaces was used to observe the effects of morphology and proliferation of the MRC-5 cell culture line. To determine whether Ti-based thin films have a toxic effect on living cells, an MTT assay was performed. The relative cytotoxic effect as a percentage of surviving cells showed that there was no difference in cell number between the Ti-based thin films and the control cells. There was also no difference in the viability of the MRC-5 cells, except for the Ti/Cu/Ti/Si system, where there was a slight 10% decrease in cell viability.

Graphene/silicon (Si) heterojunction photodetectors are widely studied in detecting of optical signals from near-infrared to visible light. However, performance of the graphene/Si photodetectors is limited by defects created in the growth process and surface recombination at the interface. Herein, a remote plasma-enhanced chemical vapor deposition is introduced to directly grow graphene nanowalls (GNWs) at a low power, which can effectively improve the growth rate and reduce defects. Moreover, hafnium oxide (HfO2) grown by atomic layer deposition has been employed as an interfacial layer for the GNWs/Si heterojunction photodetector. It is shown that the high-k dielectric layer of HfO₂ acts as an electron blocking and hole transport layer, which minimizes the recombination and reduces dark current. By optimizing the thickness of HfO₂, an extremely low dark current of 3.85×10^(-10) A with a responsivity of 0.19 AW^(-1), as well as a specific detectivity of 1.38×10^12 Jones at zero bias can be obtained for the fabricated GNWs/HfO₂/Si photodetector. This work demonstrates a universal strategy to fabricate high-performance graphene/Si photodetectors.

Ferulic acid has numerous beneficial effects for human health, which are frequently attributed to its antioxidant behavior. In this report many of them are reviewed and 185 new ferulic acid derivatives are computationally designed, using the CADMA-Chem protocol. For the later, the chemical space was sampled and evaluated. To that purpose selection and elimination scores were used, which are built from a set of descriptors accounting for ADME properties, toxicity, and synthetic accessibility. After the first screening, 12 derivatives were selected and further investigated. Their potential role as antioxidants was predicted from reactivity indexes, directed related with the formal hydrogen atom transfer and the single electron transfer mechanisms. The best performing molecules were identified by comparisons with the parent molecule and two references: Trolox and alpha-tocopherol. Their potential as polygenic neuroprotectors was investigated through the interactions with enzymes directed related with the etiologies of Parkinson’s and Alzheimer’s diseases. They are acetylcholinesterase, catechol-O-methyltransferase, and monoamine oxidase B. Based on the obtained results, the most promising candidates (FA-26, FA-118, and FA-138) are proposed as multifunctional antioxidants with potential neuroprotective effects. The findings derived from this investigation are encouraging and might promote further investigations on these molecules.

Gold-centered carbene-metal-amides (CMAs) containing cyclic (alkyl)(amino)carbenes (CAACs) are promising emitters for thermally activated delayed fluorescence (TADF). Aiming at design and optimization of new TADF emitters, we report a density functional theory study of over 60 CMAs with various CAAC ligands, systematically evaluating computed parameters in relation to photoluminescence properties. We demonstrate that the efficiency of TADF of CMAs, arising from a compromise of exchange energy and oscillator strength, is governed by the overlap of HOMO and LUMO orbitals, where HOMO is localized on amide and LUMO on Au-carbene. The S0 ground states and excited T1 states of the CMAs adopt approximately coplanar geometries of carbenes and amides, but rotate perpendicular in the excited S1 states, resulting in degeneracy or near-degeneracy of S1 and T1, accompanied with lowering of the S1-S0 oscillator strength from its maximum at coplanar geometries to near zero at rotated geometries. Based on computations, promising new TADF emitters are proposed and synthesized. Bright CMA complex (Et2CAAC)Au(carbazolide) is obtained and fully characterized to demonstrate that high radiative rates up to 106 s-1 can be obtained for the gold-CMA complexes with small CAAC-carbene ligands.

The spike protein (S) of SARS-CoV-2 has been shown to bind to the human angiotensin-converting enzyme 2 (ACE2) receptor with much higher affinity compared to other coronaviruses. The binding interface between the ACE2 receptor plays a critical role in the entry mechanism of SARS-CoV-2 virus. There are specific amino acids involved in the interaction between S protein and ACE2 receptor. This specificity is critical for the virus to establish a systemic infection and cause COVID-19 disease. In the ACE2 receptor, the largest number of amino acids that play a crucial role in the mechanism of interaction and recognition with the S protein are located in the C-terminal part which represents the main binding region between ACE2 and S. This fragment is abundant in coordination residues such as aspartates, glutamates and histidine that could be targeted by metal ions. Zn²⁺ ion binds to the ACE2 receptor in its catalytic site and modulates its activity, but it could also contribute to the structural stability of the entire protein. The ability of the human ACE2 receptor to coordinate metal ions, such Zn²⁺, in the same region where it binds to the S protein could have a crucial impact in the mechanism of recognition and interaction of ACE2-S with consequences on their binding affinity that deserve to be investigated. To test this possibility, this study aims to characterize the coordination ability of Zn²⁺, and also Cu²⁺ for comparison, with selected peptide models of the ACE2 binding interface using spectroscopic and potentiometric techniques.

Poly(3,4-ethylenedioxythiophene) (PEDOT) with a dopant of polystyrene sulfonate (PSS), namely PEDOT:PSS, has been mostly used as counter electrode to give a high performance of dye-sensitized solar cells (DSSCs). Recently, PEDOT doped by carrageenan (PEDOT:Carrageenan) was introduced as a new material to be applied on DSSC as electrolyte. PEDOT:Carrageenan has a similar synthesis process as PEDOT:PSS owing to their similar ester sulphate (-SO3H) groups in both PSS and carrageenan. This review provides an overview of the different roles between PEDOT:PSS as counter electrode and PEDOT:Carrageenan as electrolyte for DSSC applications. The synthesis process and characteristics of PEDOT:PSS and PEDOT:Carrageenan were also described in this review. In conclusion, we found that PEDOT:PSS as counter electrode has the main roles of transferring electrons from the external circuit and accelerating the reduction reaction of redox coupled with its high electrical conductivity and high electrocatalytic activity. As electrolyte, PEDOT:Carrageenan has not shown the main role as an electron transfer from counter electrode to regenerate the dye-sensitized at the oxidized state due to its low ionic conductivity. Therefore, PEDOT:Carrageenan still obtained a low performance of DSSCs. Additionally, the future perspective and challenges of using PEDOT:Carrageenan as both electrolyte and counter electrode are described in detail.

In this study, we investigated the inhibiting effect of Dioscorea spp leaf extracts on the corrosion of mild steel in selected media using the weight loss method. The mild steel samples were pre-weighed and immersed in NaOH, NaCl and H₂SO₄ solutions respectively containing the leaf extracts, with the control samples immersed in solutions of the media containing no extract. The samples were allowed to stand for 672 hours, with a set of samples from each environment withdrawn at intervals of 168 hours for corrosion characterization. The results obtained from all the environments indicate that the corrosion rate increased as concentrations of Dioscorea spp increased. Results also confirmed that the extract was an effective and excellent inhibitor in the alkaline, salt, and acidic media. Conclusively it was proven that the higher concentration of Dioscorea spp leaf extracts in the media had the best inhibition characteristic on the mild steel in the selected environments. The results show good potential for application in manufacturing industries. The microstructure analysis of the various test coupons in the test media should be carried out to reveal the influence of adding the leaf extracts to the stimulated media on the grain structure distribution of the mild steel.

A rapid and efficient method using an alkyl functionalized magnetic nanoparticles-based extraction technique combined with Ultra-High Performance Liquid Chromatography was developed for the detection of trace amounts of polycystic aromatic hydrocarbons in tea leaves. As a popular coating for chromatographic column packing materials, C18-alkyl has been demonstrated to be effective in separating polycystic aromatic hydrocarbons. And the magnetism of the nanomaterials accelerates the extraction process while their high surface ratio enables desirable dispersity in the sample matrix. Meanwhile, the adsorbents can be washed and reused 30 times without compromise on recovery, which greatly reduced the budget. The effects of various parameters were investigated and optimized, and the recoveries for five analytes were in the range of 84.8–103.7%. The reproducibility rate of intra-day and inter-day were below 7.1% and 11.3% respectively. The limits of detection and limits of quantification ranged from 1.69–9.97 ng g-1 and 5.12–30.21 ng g-1, indicating satisfactory sensitivity. Thus, the proposed methodology is rapid, highly efficient, and economical, and it expands the application of magnetic cleanup approaches in complex food matrices.

The poor conductivity and instability of layered dihydroxides (LDHs) limit their widespread application in oxygen evolution reaction (OER). In this study, the composite electrode of NiMn-LDHs, reduced graphene oxide (rGO) and nickel foam (NF), i.e., NiMn-LDHs/rGO/NF, was prepared by a hydrothermal method. When subjected to oxygen evolution reaction (OER) catalytic performance in a solution of 1 M KOH, the NiMn-LDHs/rGO/NF composite catalyst exhibited an overpotential of only 140 mV at a current density of 10 mA cm-2 and a Tafel slope of 49 mV dec-1, which is not only better than the comparing RuO2/NF catalyst, but also better than most of the Mn-based and the Ni–Fe containing bimetallic OER catalysts reported in the literature. The excellent electrocatalytic performance is ascribed to the efficient integration of ultrathin NiMn-LDHs sheets, thin-layered rGO and NF, contributing a lot to the decrease in charge transfer resistance and the increase in electrochemically active surface area. Moreover, NF plays a role of current collector and a role of rigid support for the NiMn-LDHs/rGO composite, contributing extra conductivity and stability to the NiMn-LDHs/rGO/NF composite electrode.

Omega-3 fatty acids (ω-3 FAs) are important fatty acids having the beneficial roles in human health including reducing blood pressure, lowering the risk of cardiovascular disease and exerting anti-inflammation activities. Omega-3 FAs were mainly found in fish oils, therefore, determination of these FAs is very important. This study highlighted the employment of FTIR spectroscopy combined with multivariate data analysis for determination of ω-3 FAs in fish oils. Fish oils were obtained from the extraction of corresponding fishes and subjected to purification. The oils were further subjected to FTIR spectroscopic measurement at mid infrared region (4000-450 cm-1). Fatty acid compositions of ω-3 FAs namely eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) were determined using gas chromatography with flame ionization (GC-FID), and the results from GC-FID were used as actual values. Two multivariate regressions along with wavenumbers regions or their combinations were optimized and compared to provide the best condition for prediction of EPA and DHA in fish oils. The results showed that partial least square regression (PLSR) was suitable for prediction of DHA applying the variable of absorbance values of the second derivative spectra, with the values of coefficient of determination (R2) of 0.9916 and 0.9316 in calibration and validation models, respectively. The values of root mean square error of calibration (RMSEC) and root mean square error of prediction (RMSEP) obtained were 0.789 and 2.53. While, prediction of EPA was performed using principal component regression with R2 value of &gt; 0.72 and low values of RMSEC and RMSEC. It can be concluded that the combination of FTIR spectra and multivariate regression provides the effective tools and alternative GC-FID method for the prediction of EPA and DHA in fish oils.

Latterly, the development of green synthesized polymeric nanoparticles with anticancer studies has been an emerging field in academia, and in the pharmaceutical and chemical industry. Vegetable oils are potential substitutes for petroleum derivatives, as they present themselves as a clean and environmentally friendly alternative and are available in high quantities at relatively low prices. Biomass-derived chemicals can be converted into monomers with unique structures, generating materials with new properties for the synthesis of sustainable monomers and polymers. In this way, the production of bio-based polymeric nanoparticles appears as a great application of green chemistry for biomedical uses. There is an increasing demand for biocompatible and biodegradable materials for specific applications in biomedical as cancer therapy, encouraging scientists in working on research towards designing polymers, with enhanced properties and clean processes, containing oncology active pharmaceutical ingredients (APIs). The nanoencapsulation of these APIs in bio-based polymeric nanoparticles can control the release of the substances, increase bioavailability, reduce problems with volatility and degradation, reduce side effects, and increase treatment efficiency. Thus, this review aims to discuss the use of green chemistry for bio-based nanoparticle production and its application in anticancer medicine. The use of vegetable oils for the production of renewable monomers and polymers will be discussed, bringing castor oil as an ideal candidate for such application, as well as more suitable methods for the production of bio-based nanoparticles and some oncology APIs available for anticancer application.

Fluorescent hydrogels are promising candidate materials for portable biosensors to be used in point-of-care diagnosis because (1) they have a greater capacity for binding organic molecules than immunochromatographic test systems, determined by the immobilization of affinity labels within the three-dimensional hydrogel structure; (2) fluorescent detection is more sensitive than the colorimetric detection of gold nanoparticles or stained latex microparticles; (3) the properties of the gel matrix can be finely tuned for better compatibility and detection of different analytes; and (4) hydrogel biosensors can be made reusable and suitable for studying dynamic processes in real time. Water-soluble fluorescent nanocrystals are widely used for in vitro and in vivo biological imaging due to their unique optical properties, and hydrogels based on them allow preserving these properties in bulk composite macrostructures. Here we review the techniques for obtaining analyte-sensitive fluorescent hydrogels based on nanocrystals, the main methods used for detecting the fluorescent signal changes, and the approaches to the formation of inorganic fluorescent hydrogels via sol–gel phase transition using surface ligands of the nanocrystals.

Medium polarity plays a crucial role in charge-transfer processes and electrochemistry. The added supporting electrolyte in electrochemical setups, essential for attaining the needed electrical conductivity, sets challenges for estimating medium polarity. Herein, we resort to Lippert–Mataga–Ooshika (LMO) formalism for estimating the Onsager polarity of electrolyte organic solutions pertinent to electrochemical analysis. An amine derivative of 1,8-naphthalimide proves to be an appropriate photoprobe for LMO analysis. An increase in electrolyte concentration enhances the polarity of the solutions. This effect becomes especially pronounced for low-polarity solvents. Measured refractive indexes provide a means for converting Onsager to Born polarity, which is essential for analyzing medium effects on electrochemical trends. This study demonstrates a robust optical means, encompassing steady-state spectroscopy and refractometry, for characterizing solution properties important for charge-transfer science and electrochemistry.

In recent years, bone tissue engineering (BTE) has made significant progress in promoting the direct and functional connection between bone and graft, including osseointegration and osteoconduction, to facilitate the healing of damaged bone tissues. Herein, we introduce a new, environmentally friendly, and cost-effective method for synthesizing reduced graphene oxide (rGO) and hydroxyapatite (HAp). The method uses epigallocatechin-3-O-gallate (EGCG) as a reducing agent to synthesize rGO (E-rGO), and HAp powder is obtained from Atlantic bluefin tuna (Thunnus thynnus). The physicochemical analysis indicated that the E-rGO/HAp composites had exceptional properties for use as BTE scaffolds, as well as high purity. Moreover, we discovered that E-rGO/HAp composites facilitated not only proliferation, but also early and late osteogenic differentiation of human mesenchymal stem cells (hMSCs). Our work suggests that E-rGO/HAp composites may play a significant role in promoting the spontaneous osteogenic differentiation of hMSCs, and we envision that the E-rGO/HAp composites could serve as promising candidates for BTE scaffolds, stem cell differentiation stimulators, and implantable device components due to their biocompatible and bioactive properties. Overall, we suggest a new approach for developing cost-effective and environmentally friendly E-rGO/HAp composite materials for BTE application.

A new photocatalytic hydroxyapatite (HA) synthesis method has been developed. This method is based on the unique ability of the TiO2 photocatalyst to decompose the Ca(EDTA) complex under UV illumination. As a result, released Ca2+ ions react with PO43- ions forming the HA particles. The photocatalytic formation of hydroxyapatite is found to have a fractional order, which may indicate the complex reaction mechanism and the presence of several limiting stages. The TNT-HA samples were studied by XRD, FTIR, SEM, GDOES, and biocompatibility study. High biocompatibility of the surfaces is proven by pre-osteoblast cell growth.

Conventional hydrogen production, as an alternative energy resource, has relied on fossil fuels to produce hydrogen, releasing CO2 into the atmosphere. Hydrogen production via the dry forming of methane (DRM) process is a lucrative solution to utilize greenhouse gases, such as carbon dioxide and methane, by using them as raw materials in the DRM process. However, there are a few DRM processing issues, with one being the need to operate at a high temperature to gain high conversion of hydrogen, which is energy intensive. In this study, bagasse ash, which contains a high percentage of silicon dioxide, was designed and modified for catalytic support. Modification of silicon dioxide from bagasse ash was utilized as a waste material and the performance was explored of bagasse ash-derived catalysts interacting with light irradiation and reducing the amount of energy used in the DRM process. The results showed that the performance of 3%Ni/SiO2 bagasse ash WI was higher than that of 3%Ni/SiO2 commercial SiO2 in terms of the hydrogen product yield, with hydrogen generation initiated in the reaction at 300 °C. Using the same synthesis method, the current results suggested that bagasse ash-derived catalysts had better performance than commercial SiO2-derived catalysts when exposed to an Hg-Xe lamp. This indicated that silicon dioxide from bagasse ash as a catalyst support could help improve the hydrogen yield while lowering the temperature in the DRM reaction, resulting in less energy consumption in hydrogen production.

Positively charged polyelectrolytes hold significant potential as materials for creating antibacterial coatings. Water-soluble macromolecules can be easily deposited onto a treated surface through various techniques, forming a film that provides antimicrobial properties to the surface through electrostatic interactions with bacterial membranes. The structural and molecular weight characteristics of the polymers play a crucial role in the physical and mechanical properties of the coatings. In this study, we investigated the properties of branched polyethyleneimine (PEI) and linear polydiallyldimethylammonium chloride (PDADMAC) coatings with different molecular weights of polymer samples to determine their suitability as stable coatings with antibacterial properties against foodborne bacteria. Using thermogravimetric analysis, dynamometry, and dynamic light scattering, we examined the physicochemical and mechanical properties of the macromolecules in water solutions and in coatings. Microbiological study was conducted to analyze the biocidal activity of the polycations in solutions and on the surface of coatings. Our findings showed that the moisture saturation of the polycationic coatings did not significantly depend on the chemical nature of charged groups or the molecular weight or architecture of macromolecules. Moreover, biocidal activity was not found to depend on the molecular weights of PEI and PDADMAC. However, the lowering of the molecular weight of polymers resulted in the loss of cohesive forces in the coatings and to dramatically loss of the stability towards wash-off with water. The diffusion coefficient (D0) of macromolecules was identified as a key parameter for the wash-off mechanism. Films formed by molecules with D0 below 1×10-7 cm2/s demonstrated high resistance to wash-off procedures. We demonstrated that PEI and PDADMAC samples with high molecular weights showed high antimicrobial activity towards L. monocytogenes. Our results highlight the importance of macromolecule characteristics in the development of new biocidal coatings based on polycations.

This work demonstrated the potential of CNC as a substitute for PEG as an additive in ultrafiltration membrane fabrication. Two sets of modified membranes were fabricated using the phase inversion technique with polyethersulfone (PES) as the base polymer, and 1-N-methyl-2 pyrrolidone (NMP) as the solvent. The first set was fabricated with 0.075 wt% CNC, while the second set was fabricated with 2 wt% PEG. All membranes were characterized using SEM, EDX, FTIR, and contact angle measurements. The SEM images were analyzed for surface characteristics using WSxM 5.0 Develop 9.1 software. The membranes were tested, characterized, and compared for their performance in treating both synthetic turbid water and real restaurant Both membranes exhibited improved hydrophilicity, morphology, pore structure, and roughness. Both membranes also exhibited similar water flux for real and synthetic polluted water. However, the membrane prepared with CNC gave the higher turbidity removal and COD removal when raw restaurant water was treated. The membrane compared well with the UF membrane containing 2 wt% PEG in terms of morphology and performance when synthetic turbid water and raw restaurant water were treated.

Polylactic acid (PLA) was modified with three types of MVOs, which are the epoxidized soybean oil (ESBO), maleinized sunflower oil (MSO) and maleinized olive oil (MOO), at different weight fractions. A co-rotating twin screw extruder was used to produce composite materials by melt mixing process. The effect of MVOs content, from 2.5% to 10%, on the morphology, mechanical properties, density and water absorption were investigated in detail. Addition of ESBO and maleinized vegetable oils leads to a slight decrease in density of PLA from 1.252 to 1.231 g/cm3. As the concentration of MVO in PLA increases, the amount of water absorption also increased and the highest water absorption value was observed in P10MSO. In general, the elastic modulus (EM) was slightly changed by the addition of MVO to PLA, while the tensile strength (TS) decreased. Due to the plasticizing effect of MVOs, an increase in the Izod impact strength was obtained.

To face the high tolerance of biofilms to antibiotics, it is urgent to develop new strategies to fight against these bacterial consortia. We describe here an innova-tive antibiofilm nano vector, consisting of a Dispersin B-permethylated-β-cyclodextrin/ciprofloxacin adamantly (DspB-β-CD/CIP-Ad). For this purpose, complexation assays between CIP-Ad and (i) unmodified β-CD and (ii) different derivatives of β-CD, that are 2,3-O-dimethyl-β-CD, 2,6-O-dimethyl-β-CD, and 2,3,6-O-trimethyl-β-CD were tested. A stoichiometry of 1/1 was obtained for the β -CD/CIP-Ad complex by NMR analysis. ITC experiments were carried out to determine Ka, ΔH, ΔS thermodynamic parameters of the complex between β-CD or its different derivatives in the presence of CIP-Ad. A stoichiometry 1/1 of β-CD/CIP-Ad complexes was confirmed with variable affinity according to the type of methylation. A phase solubility study showed increased CIP-Ad solubili-ty with CDs concentration, pointing out complex formation. The evaluation of the antibacterial activity of CIP-Ad and the 2,3-O-dimethyl-β-CD/CIP-Ad or 2,3,6-O-trimethyl-β-CD/CIP-Ad complexes was performed on S.epidermidis strains. MIC studies showed that the complex of CIP-Ad and 2,3-O-dimethyl-β-CD exhibited similar antimicrobial activity to CIP-Ad alone, while the interaction with 2,3,6-O-trimethyl-β-CD increased MIC values. Antimicrobial assays on S. epidermidis biofilms demonstrated that the synergistic effect observed with the DspB/CIP association was partly maintained with the 2,3-O-dimethyl-β-CDs/CIP-Ad complex. To obtain this "all in one" nano vector, able to destroy the biofilm matrix and release the antibiotic simultaneously, we covalently grafted DspB on three carboxylic permethylated CD derivatives with different length spacer arms. The strategy was validated by demonstrating that a DspB-permethylated-β-CD/ciprofloxacin-Ad nanovector exhibited efficient antibiofilm activity.

Introduction: Diclofenac is the most prescribed non-steroidal anti-inflammatory drug worldwide and used to reliev pain and inflammation for inflammatory arthritis. Diclofenac do not slows disease progression and cartialge damage of Rheuamtoid Arthritis individuals. Moreover, it associated with seriuos adverse effects even using regular dose regimens. Drug delivery systems can overcome this issues reducing adverse effects and optmizing efficacy. Objectives: to evaluate the activity of a lipid-core nanocapsule loaded of Diclofenac (DIC-LNC) in an experimental model of adjuvant-induced arthritis and its anti-arthritic properties at the joint components. Methods: The diclofenac nanoformulation was obtained by self-assembling methodology. The stereology analysis aproach was applied for morphological quantification of the volume, density and cellular profile count of the metatarsophalangeal joints of rats induced to adjuvant arthritis. Proinflamatory cytokines and biochemical profile was also obtained. Results: DIC-LNC is able to reduce arthitis compared to control group (p<0.0001) and DIC group (p=0.009). The TNF and IL1 cytokine as well as C-reative protein and Xanthine-oxidade were efficiently reduced by DIC-LNC. Additionally, DIC-LNC reduces synovites and condrocytes lossing compared to DIC (p<0.05)and control group (p<0.05). The synovial space volume was higher for DIC-LNC compared to DIC (p<0.05) and Control (p<0.05). These data are suggesting that DIC-LNC is showing anti-arthritic actvity preserving deep joint components. Conclusion: DIC-LNC is a promissing nanoformulation for clinical use, since is able to reduce joint inflamation and synovits, avoiding damage of cartilage and synovial space at advjuvant athrits. Further studies and developments are necessary to achieve future clinical use.

Lead-based ternary chalcogenide thin films of the (PbTe)1-x(PbS)x system were obtained by plasma-enhanced chemical vapor deposition technique (PECVD) under conditions of a nonequilibrium low-temperature argon plasma of an RF discharge (40.68 MHz) at a reduced pressure (0.01 Torr). High-purity elements were directly used as starting materials – Pb, S and Te. Plasma-chemical synthesis was carried out on the surface of of c-sapphire and silicon substrate. The physicochemical properties of the films were studied by various analytical methods. The dependence of the Seebeck coefficient, resistivity, and power factor on the structural properties and composition has been studied. The thermoelectric characteristics were found to be dependent on the film composition. Upon the selection of optimal sulfur concentration one can increase the power factor as compared to single phase PbS ot PbTe films.

β-Ga2O3 is a well-known semiconductor material for power devices and other applications. Recently, β-Ga2O3 has also been reported as a scintillator material with a light yield of approximately 8400 ph./MeV, scintillation decay time of &lt;1 μs, and density of 6.44 g/cm3. In this study, 2-inch diameter β-Ga2O3 single crystals were prepared by oxide crystal growth using the cold crucible (OCCC) method under various oxygen partial pressures. In the OCCC method, as in the cold crucible method, a high frequency is applied directly to the oxide materials, which are heated and melted, and the melt is held by the outermost solid material itself that is cooled by water using a copper hearth. In the OCCC method, crystal growth is performed while rotating the seed crystal, as in the Czochralski method, to increase the crystal diameter. The optical properties and radiation responses of the crystals grown under various oxygen partial pressures were evaluated.

A sustainable matrix based on eucalyptol essential oil/sawdust was developed and applied on one-sided laminated plywood. This finish aims to serve as a eucalyptol odor slow release. Eucalyptol odor release was monitored with gas chromatography coupled with a flame ionization detector (GC – FID: Limits of Detection and Quantification of 0.70 g/m3 and 2.11 g/m3, respectively, and with linearity up to 18.6 g/m3). Measurement of the eucalyptol odor released was performed during a six-month period and it was found that the release followed a first-order exponential decay with a decay rate constant of 0.0169 per day. The half-life was determined to be of 48 days. The granulometry and particle size porosity of sawdust were analyzed by Scanning Electron Microscopy. Sawdust size fraction between 112 – 200 μm showed best eucalyptol absorption capacity with 1:3 masses ratio (sawdust:eucalyptol). The time capacity of eucalyptol release depends of composite eucalyptol – sawdust quantity. Where this relation was determined: 15.0 grams of composite eucalyptol-sawdust by 0.8 mm diameter aperture gave 6 months of eucalyptol release, that was considered very positive, understanding high volatility of eucalyptol and a small quantity of composite for further products. The new product is characterized by a carbon footprint (considering the industry frontiers) of 5.94 kg CO2eq/m2 of plywood floor.

Two different silica conformations (Xerogels and Nanoparticles) both formed by the mediation of dendritic poly (ethylene imine) were tested at low pHs on the problematic uranyl cation sorption. The effect of crucial factors i.e., temperature, electrostatic forces, adsorbent composition, accessibility of the pollutant to the dendritic cavities and MW of the organic matrix was investigated to conclude the optimum formulation for water purification under these conditions. This was attained with the aid of UV-Visible and FTIR spectroscopy, dynamic light scattering (DLS), ζ-potential; Brunauer–Emmett–Teller (BET) porosimetry, Thermo Gravimetric Analysis (TG) and Scanning Electron Microscopy (SEM) Results highlighted that both adsorbents have extraordinary sorp-tion capacity. Xerogels are cost-effective since they approximate the performance of na-noparticles with much lesser organic content. Furthermore, they are more practicable materials since they may penetrate the pores of a metal or ceramic solid substrate in the form of a precursor, gel-forming solution.

The wide application of graphene in the industry requires the direct growth of graphene films on silicon substrates. In this study, we find a possible technique to meet the requirement above. Multilayer graphene thin films (MLG) are grown without a catalyst on Si/SiO2 by pulsed laser deposition (PLD). It was found that the minimum number of laser pulses that are required to produce fully covered (uninterrupted) samples is 500. This number of laser pulses resulted in samples that contain ~5 layers of graphene. The number of layers was not affected by the laser fluence and the sample cooling rate after the deposition. However, the increase of the laser flu-ence from 0.9 J/cm2 to 1.5 J/cm2, results in 2.5 fold reduction of the MLG resistance. The present study reveals that the PLD method is suitable to produce nanocrystalline multilayer graphene with electrical conductivity of the same magnitude as commercial CVD graphene samples.

Liquid crystal elastomers (LCEs) are shape morphing materials whose large and reversible shape transformation results from the coupling between the mobile anisotropic properties of liquid crystal (LC) units and the rubber elastic of polymer networks. Their shape changing behaviors under the stimuli are largely directed by LC orientations, and therefore various strategies have been developed to spatially modulate the LC alignments. But most of the methods suffer from complex fabrication technologies or intrinsic limitations in applicability. To address this issue, programmable complex shape changes in some types of LCEs, such as polysiloxane side-chain LCEs or thiol-acrylate main-chain LCEs, etc, have been achieved by using a mechanical alignment programming process coupled with two-step crosslinking. Here, we report a polysiloxane main-chain LCE with programmable 2D and 3D shape changing performances achieved by mechanically programming the polydomain LCE between the two crosslinking steps. The resulting LCEs exhibited reversible thermal induced shape transformation between the initial and programmed shapes due to the two-way memory between the first network structure and the second network structure. Our work would be potential for expanding the applications of LCE materials in actuators, soft robotics and smart structures where arbitrary and easily programmed shape morphings are needed.

A non-steady state mathematical model of amino acid (phenylalanine (Phe)) and mineral salt (NaCl) solution separation by neutralization dialysis (ND) carried out in a batch mode is proposed. The model takes into account the characteristics of membranes (thickness, ion-exchange capacity and conductivity) and solutions (concentration, composition), as well as the flow rate of the solution in the dialyzer compartments. As compared to previously developed models, the new one considers the local equilibrium of Phe protolysis reactions in solutions and membranes and, also, the transport of all the phenylalanine forms (zwitterionic, positively and negatively charged) through membranes. A series of experiments on ND demineralization of NaCl and Phe mixed solution was carried out. In order to minimize Phe losses, the solution pH in the desalination compartment was controlled by changing the concentrations of the solutions in the acid and alkali compartments of the ND cell. The validity of the model was verified by comparison of simulated and experimental time dependencies of solution electric conductivity and pH, as well as the concentration of Na+, Cl– ions and Phe species in the desalination compartment. Based on the simulation results, the role of Phe transport mechanisms in the losses of this amino acid during ND was discussed.

Despite the strong anticancer activity of SN38 (7-ethyl-10-hydroxy-camptothecin), some defects prevent its clinical application, such as severe side effects and loss of anticancer activity due to lack of selectivity to cancer cells and hydrolysis of ring E, respectively. To address the issue, herein a multifunctional SN38 derivative (compound 9) containing biotin (tumor-targeting group) and valproic acid (histone deacetylase inhibitor, HDACi) was synthesized via click chemistry and evaluated using MTT assay. The in vitro cytotoxicity study showed that compound 9 exhibited superior cytotoxicity as irinotecan against human cervical cancer HeLa cells, albeit inferior to SN38. More significantly, compound 9 significantly reduced toxicity in mouse embryonic fibroblast NIH3T3 cells, indicating that compound 9 had the capacity to enhance tumor targeting due to its cell selectivity. Further studies demonstrated that compared with irinotecan, compound 9 induced similar apoptosis of cancer cells. Consequently, compound 9 can not only improve its tumor-targeting ability mediated by biotin but also exert the potent anticancer activity through the synergism of SN38 and valproic acid, indicating that the design concept is an effective strategy for structural modification of SN38.

Fe rich soft magnetic alloys are candidates for applications as magnetic sensors and actuators. These alloys can also be added to hard magnetic compounds to obtain spring magnets. In this work we produce two nanocrystalline Fe-Zr-B-Cu alloys by the powder metallurgy powder technology of mechanical alloying. The increase of the boron content favors the reduction of the crystalline size. Thermal analysis (by differential scanning calorimetry) shows at temperatures between 450 and 650 K wide exothermic processes, associated with the relaxation of tensions of the alloys produced by milling. At high temperatures, a main crystallization peak is found. The apparent activation of this process was determined by Kissinger and isoconversional methods. The values are compared with those found in the scientific literature. Likewise, adapted thermogravimetry permits to determine the Curie temperature. The functional response has been analyzed by hysteresis loop cycles. According to the composition, the decrease of the Fe/B ratio diminishes the magnetic soft behavior.

In contemporary science and technology, photonic sensors are essential. They may be made to be extremely resistant to some physical parameters while also being extremely sensitive to other physical variables. Most photonic sensors may be incorporated on chips and operate with CMOS technology, making them suitable for use as extremely sensitive, compact, and affordable sensors. Photonic sensors can detect electromagnetic (EM) wave changes and convert them into an electric signal due to the photoelectric effect. Depending on the requirements, scientists have found ways to develop photonic sensors based on several interesting platforms. In this work, we extensively reviewed the most generally utilized photonic sensors for detecting vital environmental parameters and personal healthcare. These sensing systems include optical waveguides, optical fibers, plasmonics, metasurfaces, and photonic crystals. Various aspects of light are used to investigate photonic sensors' transmission or reflection spectra. In general, resonant cavity or grating-based sensor configurations that work on wavelength interrogation methods are preferred, so these sensor types are mostly presented. We believe this paper will provide insight into the novel types of available photonic sensors.

To determine promethazine (PMZ) and its metabolites promethazine sulfoxide (PMZSO) and monodesmethyl-promethazine (Nor1PMZ) in swine muscle, fat, kidney, and liver, a sample preparation and high-performance liquid chromatography-tandem mass spectrometry (LC-MS/MS) analysis method were established and validated. The sample was extracted with 0.1% formic acid-acetonitrile, and the extract was purified with acetonitrile-saturated n-hexane. After concentration by rotary evaporation, the extract was re-dissolved in 0.1% formic acid-water and acetonitrile (80:20, v/v). The HPLC-MS/MS column used was a Waters Symmetry C18 (100 mm × 2.1 mm i.d., 3.5 μm), with 0.1% formic acid-water and acetonitrile as the mobile phase, and the target compounds were determined by positive ion scan and multiple reaction monitoring. PMZ and Nor1PMZ were quantified with deuterated promethazine (PMZ-d6) as the internal standard, while PMZSO was quantified by external standard method. The limits of detection (LOD) and limits of quantification (LOQ) of PMZ and PMZSO in muscle, liver, and kidney spiked samples were 0.05 μg/kg and 0.1 μg/kg, respectively, while those of Nor1PMZ were 0.1 μg/kg and 0.5 μg/kg, respectively. The LOD and LOQ of analytes in fat spiked sample were 0.05 μg/kg and 0.1 μg/kg, respectively. The sensitivity of this method reaches or exceeds its presented in previous reports. The analytes PMZ and PMZSO showed good linearity within the range of 0.1 μg/kg to 50 μg/kg, while Nor1PMZ showed good linearity within the range of 0.5 μg/kg to 50 μg/kg, with correlation coefficients (r) greater than 0.99. The recoveries of the target compounds in the sam-ples were between 81.73% and 107.17%, and the precision ranged from 1.78% to 10.47%. This study developed for the first time an HPLC-MS/MS method for the determination of PMZ and its metabolites PMZSO and Nor1PMZ in four swine edible tissues, comprehensively covered target tissues of monitoring object, which is applicable for monitoring veterinary drug residues in ani-mal-derived foods and ensuring food safety.

The study of the inherent factors that influence the isolation of one type of metallosupramolecular architecture over another is one of the main objectives in the field of Metallosupramolecular Chemistry. In this work, we report two new neutral copper(II) helicates, [Cu2(L1)2]·4CH3CN and [Cu2(L2)2]·CH3CN, obtained by means of an electrochemical methodology and derived from two Schiff-based strands functionalized with ortho- and para-t-butyl groups on the aromatic surface. These small modifications let us to explore the relationship between the ligand design and the structure of the extended metallosupramolecular architecture. The magnetic properties of the Cu(II) helicates were explored by EPR spectroscopy and DC magnetic susceptibility measurements.

Classical antibacterial drugs were designed to target specific bacterial properties distinct from host human cells to maximize potency and selectivity. These designs were quite effective as they could be easily derivatized to bear next generation drugs. However, the rapid mutation of bacteria and their associated acquired drug resistance have led to the rise of highly pathogenic superbug bac-terial strains for which treatment with first line drugs is no match. More than ever, there is a dire need for antibacterial drug design that goes beyond conventional standards. Taking inspiration by the body’s innate immune response to employ its own supply of labile copper ions in a toxic attack against pathogenic bacteria, which have a very low Cu tolerance, this review article examines the feasibility of Cu-centric strategies for antibacterial preventative and therapeutic applications. Promising results are shown for the use of Cu-containing materials in the hospital setting to minimize patient bacterial infections. Studies directed at disrupting bacterial Cu regulatory pathways elucidate new drug targets that can enable toxic increase of Cu levels and perturb bac-terial dependence on iron. Likewise, Cu intracellular chelation/prochelation strategies effectively induce bacterial Cu toxicity. Cu-based small molecules and nanoparticles demonstrate the im-portance of the Cu ions in their mechanism and display potential synergism with classical drugs.

The chelating aluminum complex [2-(Me2NCH2)C2B10H10]AlX2 (X = Br 3, CH3 4) was synthesized using 2-dimethylaminomethyl-o-carboranyl lithium (2) with aluminum tribromide or dimethylaluminum bromide, resulting in a modest yield. Compound 4 was obtained by reacting compound 3 with CH3Li in toluene. All compounds were characterized by infrared (IR) spectroscopy, 1H, 11B, 13C nuclear magnetic resonance (NMR) spectroscopy, and X-ray crystallography. X-ray structural studies of CabNAlBr2 (3) and CabNAlMe2 (4) indicated that the Al atom was located at the center of a distorted tetrahedron. Crystal structures of the CabNAlBr2 (3) [a = 8.9360(3) Å, b = 12.0358(9) Å, c = 14.7730(4) Å, α = β = γ = 90°] and the CabNAlMe2 (4) [a = 8.9551(3) Å, b = 11.9126(9) Å, c = 14.7711(4) Å, α = β = γ = 90°] were obtained. The reactivity of aluminum complexes 3 and 4 with Lewis bases, such as H2O, pyridine, alkylamines, and arylamines, confirmed their rapid decomposition.

Chemoinformatics is the combination of physical chemistry theory with computer and information science techniques "in silico techniques" to a variety of descriptive and prescriptive chemistry issues, including applications to biology, drug discovery, and related molecular areas. On the other hand, machine learning has become a vital tool for drug designers to mine chemical information from enormous compound databases in order to build medications with important biological features. In Egypt, chemoinformatics were used recently in different applications. For example; the development of new antimicrobial agents like tetracycline analog B (Iodocycline). Another area of application in bioinformatics included heart disease classification based on hybrid ensemble stacking technique. In the era of COVID-19, hybrid approach for COVID-19 detection from chest radiography was applied. Furthermore, bio/chemoinformatics methods were used to compare antimicrobial medications in order to choose an effective nose-to-brain formulation targeting meningitis infection by using differences in the drugs' primary structural, topological, and electronic characteristics. An example for this included cefotaxime and ceftriaxone that were examined at three levels: at formulation level, by comparing the loading in gelatin and tripalmitin matrices as basis for the production of nanoparticulate systems, at biopharmaceutical level, through interaction with mucin and the P-gp efflux pumps, and at therapeutic level, through studying the interaction with S. pneumoniae bacterial receptors.

This work presents the production and incorporation of calcium hydrolyzed nano-solutions at three concentrations (1, 2, and 3 wt.%) in alkali-activated gold mine tailings (MTs) from Arequipa, Perú. A first activator solution of sodium hydroxide (NaOH) at 10M was used. The calcium hy-drolyzed nano-solutions acted as a secondary activator and as additional calcium resource for the alkali-activated materials (AAMs) based on the low-calcium gold MTs. High-resolution trans-mission electron microscopy/energy-dispersive x-ray spectroscopy (HR-TEM/EDS) analyses were carried out to characterize the morphology, size, and structures of the calcium hydrolyzed na-noparticles. Fourier transform infrared (FTIR) analyses then were used to understand the chemical bonding interactions in the calcium hydrolyzed nanoparticles and in the AAMs. Scanning electron microscopy/energy-dispersive X-ray spectroscopy (SEM/EDS) and Quantitative X-ray diffraction (QXRD) were performed to study the structural, chemical, and phase compositions of the AAMs; uniaxial compressive tests evaluated the compressive strength of the reacted AAMs; and Nitrogen adsorption-desorption analyses measured the porosity changes at nanostructure level in the AAMs. The results indicate that each increase in the concentration of the calcium hydrolyzed nano-solution had a direct/proportional effect on the mechanical properties of the AAMs samples. The AAMs with 3 wt.% calcium-hydrolyzed nano-solution had the highest compressive strength value of 15.16 MPa, which represented an increase of 62% compared to the original system without nanoparticles and aged under the same conditions of 70°C for seven days. These results provide useful information about the positive effect of calcium-hydrolyzed nanoparticles on gold MTs and their conversion into sustainable building materials through alkali activation.

The successive steps of the oxidation mechanism of crocin, major compound of saffron, by the free OH• radical are investigated by the pulse radiolysis, steady-state (gamma) radiolysis methods and molecular simulations. The optical absorption properties of the transient species and their reaction rate constants are determined. The absorption spectrum of the oxidized radical of crocin resulting from the H-abstraction presents a maximum at 678 nm and a band at 441 nm, almost as intense as that of crocin. The spectrum of the covalent dimer of this radical contains an intense band at 441 nm and a weaker one at 330 nm. The final oxidized crocin, issued from radical disproportionation, absorbs weaker with a maximum at 330 nm. The molecular simulation results suggest that the OH• radical is electrostatically attracted by the terminal sugar and is scavenged predominantly by the neighbor methyl site of the polyene chain as in a sugar-driven mechanism. Based on detailed experimental and theoretical investigations, the antioxidant properties of crocin are highlighted.

Jade waste is a normal byproduct that makes up much more than the amount of jade extracted. Therefore, recycling jade waste is worth investigating from the point of view of energy conservation. Moreover, it is an environment-friendly material, which is desirable for use in building materials. In this study, Xiuyan jade waste was repurposed as antibacterial additives for building coatings. The powder waste was activated by milling and subsequent annealing. The antibacterial properties of the treated waste were mostly related to the annealing temperatures. Based on the investigations of the phase change and the release of metal ions of a series of samples and their antibacterial activities, the antibacterial mechanism of the treated samples was explored experimentally. The most applicable sample for coatings was finally chosen by considering its pH values and its antibacterial abilities. Antibacterial testing showed that the addition of treated jade waste could enhance the bacterial inhibition rate of building coatings from 60% to 99.9%.

The goal of this study is to find out how some properties of wood-polymer nanocomposites are affected by the processing technology, the nanomaterials, and the ratio of coupling agents. To meet this objective, the extruded and dry blended samples are made from wood flour with MAPP, ZnO nanoparticles (0, 1, 3, and 5 wt%), and polypropylene. The mechanical properties of the nanocomposites improve significantly with ZnO and MAPP loading. Due to the more homogeneous structure of nanocomposites, better mechanical results are obtained with the extrusion method. With ZnO and MAPP loading, the thermal stability of nanocomposites improves. The storage and loss modulus values indicate that the processing technology of nanocomposites could be a key factor in the resistance of the materials obtained by extrusion. The storage and loss modulus of nanocomposites manufactured by the extrusion technology are determined to be higher than those of the samples produced by the dry blending method.