Chitosan is a copolymer of β-glucosamine and N-acetylglucosamine. Recent experiments showed that the degree and pattern of acetylation along the chitosan chain modulate the biological and physicochemical properties; however, the molecular mechanism is unknown. Here we apply the de novo all-atom molecular dynamics (MD) simulations to study chitosan’s self-assembly process at different degrees of acetylation and two different acetylation patterns. The simulations revealed that the 10-mer chitosan chains with 50% acetylation in either block or alternating patterns associate to form ordered nanofibrils comprised of mainly antiparallel chains in agreement with the fiber diffraction data of deacetylated chitosan. Surprisingly, regardless of the acetylation pattern, the same intermolecular hydrogen bonds mediate the fibril sheet formation while water-mediated interactions stabilize the sheet-sheet stacking. Moreover, the acetylated units are involved in forming the strong intermolecular hydrogen bonds (NH–O6 and O6H–O7), which offers an explanation for the experimental observation that increased acetylation lowers chitosan’s solubility. Taken together, the present study provides the atomic-level understanding the role of acetylation plays in modulating chitosan’s physiochemical properties, contributing to the rational design of chitosan-based materials with the ability to tune by its degree and pattern of acetylation. Additionally, we disseminate the improved molecular mechanics parameters that can be applied in MD studies to further understand chitosan-based materials.

Two novel sizable multicharged cationic complexes, of the formulae [(η6-[12]CPP)[Ru(η5-Cp)]12]Χ12 and [(η6-[11]CPP)[Ru(η5-Cp)]11]Χ11, CPP= cycloparaphenylene, Cp = cyclopentadienyl, X = [PF6]-, (1), (3) and [Cl]-, (2), (4), were synthesized and characterized using NMR techniques, high-resolution mass spectrometry, and elemental analyses. The complexes, (1) and (3) were stable in acetone and acetonitrile solutions over 48 h. In contrast, the water-soluble, (2) and (4), begins to decompose in aqueous media after 1h, due to the [Cl]- tendency for nucleophilic attack on ruthenium of the {Ru(η5-Cp)} units. Fluorescence quenching experiments conducted during the stability window of (2) with the d(5′-CGCGAATTCGCG-3′)2-EtBr adducts, revealed remarkably high values for Ksv = 1.185 × 104 ± 0.025 M-1 and Kb = 3.162 × 105 ± 0.001 M-1. Furthermore, the cytotoxic activity of (2) against A2780, A2780res, and MCF-7 cancer cell lines shows that it is highly cytotoxic with IC50 values in the range of 4.76 ± 1.85 to 16 ± 0.81 μΜ.

The present study focuses on the development and optimization of a highly efficient unique hybrid technique — membrane-assisted gas absorption (MAGA) in designing the separation unit, which provides the improvement in mass-transfer of a target component during the natural gas processing in terms of sweetening stage. A novel design of membrane-assisted gas absorption cell is used to enhance the ratio between absorbent amount and membrane surface available for permeation. The performance tests were implemented on example of two gas mixtures separation: one is model ternary gas mixture and the second is quasi real natural gas, which includes number of hydrocarbons, nitrogen, acid impurities and xenon. For both cases, the MAGA unit demonstrated high acid gases removal efficiency, and high recovery of hydrocarbons. The ultimate efficiency of studied system was up to 96 and 61 % of removed acid gases with hydrocarbons losses up to 1 % at highest productivity. In this way, the residual sum of acid gases content may be lowered to 1 vol.% using the heat-free hybrid membrane-assisted gas absorption unit maintaining suitable recovery rate of methane, ethane, propane and n-butane. Nevertheless, the overall efficiency of the process may be enhanced using the specific absorption agents with aqueous amino alcohol solutions.

Hyperlipidemia is an identified risk factor for metabolic syndrome and cardiovascular complications characterized by elevated levels of lipids in blood. The present study aimed to inhibit HMG-CoA reductase with 15-oxoursolic acid through in-vivo and in-silico assessments. HFD-induced hyperlipidemia in rats was developed with a marked increase in total cholesterol (58.34 ± 0.21 mg/dl), triglycerides (45.45 ± 0.39 mg/dl), LDL-c (66.12 ± 0.10 mg/dl), VLDL-c (19.34 ± 0.16 mg/dl), and a decrease in HDL-c (10.34 ± 0.18 mg/dl). The oral administration of 15-oxoursolic acid at a concentration of 30 mg/Kg b.w significantly reduced the serum concentration of total cholesterol (42.65 ± 0.54 mg/dl), triglycerides (32.33 ± 0.16 mg/dl), LDL-c (50.34 ± 0.15 mg/dl) and VLDL-c (13.15 ± 0.45 mg/dl) respectively and an increased in the serum HDL-c (18.56 ± 0.34 mg/dl). 15-oxo ursolic acid also caused a decrease in the coronary risk index and atherogenic risk index. In-silico studies of 15-oxoursolic acid with HMG-CoA reductase showed significant interaction capability with binding energy (-9.26805 Kcal/mol). It is concluded that 15-oxoursolic acid could significantly reduce the total cholesterol, triglycerides and LDL levels in HFD-induced hyperlipidemia rats which might lead to new medication with significant hypolipidemic potential.

Metal-Organic Frameworks (MOFs) have been observed to exclusively eliminate dyes confined within their respective pores. In this investigation, the synthesis of a breathable MOF structure, MIL-88B(Fe), was pursued with the objective of circumventing restrictions on pore size to en-hance its adsorption capabilities. The synthesis of MIL-88B(Fe) was carried out via the assisted solvothermal method at 373 K using inexpensive yet environmentally benign FeCl3.6H2O, 1,4-benzenedicarboxylic acid and DMF as metal precursor, as linker and solvent, respectively. Furthermore, MOF was subjected to extensive analytical characterization using XRD, FT-IR spectroscopy, N2 gas sorption, TGA, and SEM. The experimental data showed that the utilization of MIL-88B(Fe) with a dose level of 5 mg for 180 mins at pH of 9 led to the highest levels of ad-sorption for both dyes with 162.82 mg g-1 for Methylene Blue (MB) and 144.65 mg g-1 for Rho-damine B (RhB), as a result of contrast molecular size between each dye. The Langmuir and Freundlich models demonstrate a correlation with isotherms, while the thermodynamic analysis demonstrated that MIL-88B(Fe) exhibits distinct endothermic and breathable properties. The ef-ficacy of MIL-88B(Fe) adsorbent for MB and RhB in aqueous solutions indicated exceptional performance, stability, and noteworthy reusability performance.

Soft materials bearing rigid, lightweight, and vibration-dampening properties offer distinct advantages over traditional wooden and metal-based fillings for spent fuel transport casks, due to their low density, tunable structure, excellent mechanical properties, and ease of processing. In this study, a novel type of rigid polyurethane foams is prepared using a conventional polycondensation reaction between isocyanate and hydroxy groups. Moreover, the density and size of the pore in these foams are precisely controlled through simultaneous gas generation. The as-prepared polyurethane exhibits high thermal stability exceeding 185 °C. Lifetime predictions based on thermal testing indicate that these polyurethane foams could last up to over 60 years, which is double lifetime of conventional materials of about 30 years. Due to their occlusive structure, the mechanical properties of these polymeric materials meet the design standards for spent fuel transport casks, with maximum compression and tensile stresses of 6.89 and 1.37 MPa, respectively, at a testing temperature of -40 °C. In addition, these polymers exhibit effective flame retardancy; combustion ceased within 2 s after removal of the ignition source. All in all, this study provides a simple strategy for preparing rigid polymeric foams, presenting them as promising prospects for application in spent fuel transport casks.

Star copolymer films were studied for confirming the role of film morphology in antimicrobial activity previously reported. With this scope, films of a two-branches copolymer, namely m-PEG-(MMA-ran-DMAEMA)2, containing ≈ 40 % in mol of non-quaternized 2-(dimethylamino)ethyl methacrylate, were produced by using spin-coating, drop-casting and casting deposition techniques, thus obtaining ultra-thin, thin and thick films, respectively. The morphology is generally flat for thin and thick films, but it becomes substrate dependent for ultra-thin films where the film planarization effect is not efficient. Mechanical properties of such films were investigated by Force Volume Maps in both air and liquid. In air, ultra-thin films are in the substrate-dominated zone and thus the elastic modulus E is overestimated, while E reaches its bulk value for thin and thick films. In liquid (water), E follows an exponential decay for all films with a minimum soaked time t0 of 0.37 and 2.65 h for ultra-thin and thin and thick films, respectively. After this time, E saturates to a value in average 92 % smaller than that measured in air due to films swelling. Such results confirm the role of morphology envisaged in literature, suggesting also an additional role of mechanical properties in the antimicrobial activity.

In this paper, a method for the preparation of ultrasound-responsive microgels was developed based on RAFT-HDA dynamic covalent bonding. First, a styrenic cross-linked network was suc-cessfully prepared by DA reaction between phosphoryl dithioester and furan using double-ended BDEPDF as RAFT reagent mediated St polymerization as double-ended dienophile linker and co-polymer of FMA and St as dienophile. Subsequently, the microgel system was constructed by the HDA reaction between phosphoryl disulfide and furan groups using the copolymer of polyethylene glycol monomethyl ether acrylate (OEGMA) and FMA as the dienophore building block and hy-drophilic segment, and the polystyrene pro-dienophile linker as the cross-linker and hydrophobic segment. The number of furans in the dienophile chain and the length of the dienophile linker were regulated by RAFT polymerization to investigate the effects of single-molecule chain functional group degree (f), furan/dithioester ratio (r), and hydrophobic linker length (D) on the microgel system. These microgels can achieve the reversible transformation of materials under force re-sponsiveness, and the steps are simple and adaptive, which are expected to show important po-tential applications in the fields of biomedical materials and adaptive electrical materials.

Radical reactions in water or aqueous media are important for organic synthesis, realizing high yielding processes under non-toxic and environmentally friendly conditions. This overview includes (i) a general introduction to organic chemistry in water and aqueous media, (ii) synthetic approaches in-, on- and with-water as well as in heterogeneous phase, (iii) reaction of carbon-centered radicals with water (or deuterium oxide) activated through coordination with various Lewis acids, (iv) photocatalysis in water and aqueous media, and (v) synthetic applications bioinspired from naturally occurring processes. A wide range of chemical processes and synthetic strategies under different experimental conditions have been reviewed that lead to important functional group translocation and transformation reactions, leading to the preparation of complex molecules. These results reveal how water as a solvent/medium/reagent in radical chemistry has matured over the last two decades and how further discoveries are foreseen to come in the near future.

The indole nucleus is an important element of many natural and synthetic molecules with significant biological activity. Nonetheless, the co-presence of transitional metals in organic scaffold may represent an important factor in the development of effective medicinal agents. This review covers some of the relevant and recent achievements in the biological, chemical and pharmacological activity of important indole-based metal complexes in the area of drug discovery.

This study explores cutting-edge and sustainable green methodologies and technologies for the synthesis of functional nanomaterials, with a specific focus on the removal of water contami-nants and the application of kinetic adsorption models. Our research adopts a conscientious ap-proach to environmental stewardship by synergistically employing eco-friendly silver nanopar-ticles, synthesized using Justicia Spicigera extract as a biogenic reducing agent, in conjunction with Mexican zeolite to enhance contaminant remediation, particularly targeting Cu²⁺ ions. Structural analysis, utilizing X-ray diffraction (XRD) and high-resolution scanning and transmis-sion electron microscopy (TEM and SEM), yields crucial insights into nanocomposite structure and morphology. Rigorous linear and non-linear kinetic models, encompassing pseudo-first order, pseudo-second order, Freundlich, and Langmuir, are employed to elucidate the kinetics and equilibrium behaviors of adsorption. Results underscore the remarkable efficiency of the Zeolite-Ag composite in Cu²⁺ ion removal, surpassing traditional materials, achieving an im-pressive adsorption rate of 98% for Cu. Furthermore, the Zeolite-Ag composite exhibits maxi-mum adsorption times of 480 minutes. In the computational analysis, an initial mechanism for Cu²⁺ adsorption on zeolites is identified. The process involves rapid adsorption onto the surface of the Zeolite-Ag NP composite, followed by a gradual diffusion of ions into the cavities within the zeolite structure. Upon reaching equilibrium, a substantial reduction in copper ion concen-tration in the solution signifies successful removal. This research represents a noteworthy stride in sustainable contaminant removal, aligning with eco-friendly practices and supporting the potential integration of this technology into environmental applications. Consequently, it pre-sents a promising solution for eco-conscious contaminant remediation, emphasizing the utiliza-tion of green methodologies and sustainable technologies in the development of functional na-nomaterials

Atomic force microscopes are used, beside their principal function as surface imaging tools, in surface manipulation and measurement of interfacial properties. In particular, they can be modified to measure lateral friction forces that occur during the sliding of the tip against the underlying substrate. However, the shape, size, and deformation of the tips profoundly affect the measurements in a manner that is difficult to predict. In this work, we investigate the contribution of these effect to the magnitude of the lateral forces during sliding. The surface substrate is chosen to be few-layer AB-stacked graphene surface whereas the tip is initially constructed from face-centered cubic gold. In order to separate the effect of deformation from shape, rigid tips of three different shapes were considered first, namely a cone, a pyramid and a hemisphere. The shape was seen to dictate all aspects of the interface during sliding, from temperature dependence to stick-slip behavior. Deformation was investigated next by comparing a rigid hemispherical tip to one of identical shape and size but with all but the top three layers of atoms free to move. The deformation, as also verified by an indentation analysis, occurs by means of the lower layers collapsing on the upper ones, thereby increasing the contact area. This collapse mitigates the friction force and decreases it with respect to the rigid tip for the same vertical distance. Finally, the size effect is studied by means of calculating the friction forces for a much larger hemispherical tip whose atoms are free to move. In this case, the deformation is found to be much smaller but the stick-slip behavior is much more clearly seen.

Nano-drugs and nano-delivery systems are rapidly evolving, with new strategies emerging in the current practices. The evolution of these technologies began with modifying the chemical structure, progressing to supramolecular ionic complexes, and culminating in elegant ad hoc delivery systems. Nanoparticles have numerous benefits as a carrier system for delivering therapeutic agents to intra-arterial sites. These benefits include their subcellular size, targeted surfaces, good suspensibility, and uniform dispersity, making them an ideal choice for catheter-based delivery. Despite the advancements made in the field of nano-drugs and nano-delivery systems, there are still some hurdles to overcome in terms of their commercial availability.The current review presents an updated summary of recent advancements in nano-drugs and nano-delivery systems, including their commercial availability. We aim to discuss the present challenges and prospects of commercially available nano-drugs and nano-delivery systems. Here, we provide a precise and informative overview of the current state of these technologies and underscore the potential they hold for future developments. Further, we have categorized commercially available modifications, name, parent company and their main applications in nano-drugs.

The new diprotic ligand 3,5-di-tert-butylsalicylaldehyde 4-ethyl-3-thiosemicarbazone, abbreviated H2(3,5-t-Bu2)-sal4eT, exists as the thio-keto tautomer and adopts the E-configuration with respect to the imine double bond as evidenced by single-crystal X-ray analysis and corroborated by spectroscopic characterisation. Upon treatment with Cu(OAc)2·H2O in the presence of either 2,9-dimethyl-1,10-phenanthroline (2,9-Me2-phen) or 1,10-phenanthroline (phen) as a co-ligand in MeOH, this thiosemicarbazone undergoes conformational transformation (relative donor-atom orientations: syn,anti → syn,syn) concomitantly with tautomerization and double deprotonation to afford the ternary copper(II) complexes [Cu{(3,5-t-Bu2)-sal4eT}(2,9-Me2-phen)] (1) and [Cu2{3,5-t-Bu2)-sal4eT}2(phen)] (2). Crystallographic elucidation has revealed that complex 1 is a centrosymmetric dimer of mononuclear copper(II) complex molecules brought about by intermolecular H-bonding. The coordination geometry at the copper(II) centre is best described as distorted square pyramidal in accord with the trigonality index (τ = 0.14). The co-ligand adopts an axial-equatorial coordination mode; hence there is a disparity between its two Cu–N coordinate bonds arising from weakening of the apical one as a consequence of the tetragonal distortion. The axial X-band ESR spectrum of complex 1 is consistent with retention of this structure in solution. Complex 2 is a centrosymmetric dimer of dinuclear copper(II) complex molecules exhibiting intermolecular H-bonding and π-π-stacking interactions. The two copper(II) centres, which are 4.8067(18) Å apart and bridged by the thio-enolate nitrogen of the quadridentate thiosemicarbazonate ligand, display two different coordination geometries, one distorted square planar (τ4 = 0.082) and the other distorted square pyramidal (τ5 = 0.33). Such dinuclear copper(II) thiosemicarbazone complexes, which are crystallographically characterised, are extremely rare. In vitro, complexes 1 and 2 outperform cisplatin as antiproliferative agents in terms of potency and selectivity towards HeLa and MCF-7 cancer cell lines.

Sphingosine 1-phosphate (S1P) is a signaling lipid molecule involved in various cellular processes. It is important to develop a quantitative method for S1P to determine endogenous levels and to investigate its functions. Especially since S1P is a tiny lipid component of most biological samples, highly sensitive analysis by LC-MS/MS is required. The main challenge in S1P analysis by chromatography is peak broadening due to the presence of a polar phosphate and zwitterion formation in S1P. In this study, we used hydrogen fluoride (HF) to efficiently remove a phosphate and then analyzed the surrogate, sphingosine, as a sharp peak by LC-ESI-MS/MS. We optimized the dephosphorylation reaction in terms of reaction time, temperature, and HF concentration. Multiple reaction monitoring (MRM) for dephosphorylated form of S1P and C17-S1P as internal standard at m/z transition 300.4>282.4 (quantification ion), 300.4>262.4 (qualification ion), 286.3>268.2 (internal standard). This method was validated by essential parameters such as specificity, linearity, range, LOQ, LOD, accuracy, precision, and repeatability. To confirm this new method, we quantified S1P levels in various serum products (100.02 ~ 284.38 nM). To apply the method in vivo, we analyzed S1P in plasma and kidney tissues obtained from a chronic kidney disease (CKD) mouse model. S1P levels were increased only in CKD kidney tissue but not in plasma. In conclusion, by applying the dephosphorylation step with HF, we established a new sensitive LC-MS/MS quantitative method for S1P that can be applied to biological samples.

The significant environmental issue of water pollution caused by emerging contaminants un-derscores the imperative for developing novel cleanup methods that are efficient, economically viable, and that are intended to operate at high capacity and under continuous flows at the in-dustrial scale. This study shows the results of the operational design to build a prototype for the retention at lab scale of pollutants residues in water by using as adsorbent material, insoluble polymers prepared by β-cyclodextrin and epichlorohydrin as a cross-linking agent. Laboratory in batch tests were run to find out the adsorbent performances against furosemide and hydro-chlorothiazide as pollutants model. The initial evaluation concerning the dosage of adsorbent, pH levels, agitation, and the concentration of pharmaceutical pollutants enabled us to identify the optimal conditions for conducting the subsequent experiments. The adsorption kinetic and the mechanisms involved were evaluated revealing that that the experimental data perfectly fit the pseudo second order model being the adsorption process mainly governed by chemisorption. According to the KF constants values of 0.044 (L/g) and 0.029 (L/g) for furosemide and hydro-chlorothiazide, respectively and determination coefficient (R2) higher than 0.9 for both com-pounds, Freundlich yielded the most favorable outcomes, suggesting that the adsorption process occurs on heterogeneous surfaces involving both chemisorption and physisorption processes. The maximum monolayer adsorption capacity (qmax) obtained by Langmuir isotherm reveal a saturation of the β-CDs-EPI polymer surface 1.45 times higher for furosemide (qmax = 1.282 mg/g) than hydrochlorothiazide (qmax = 0.844 mg/g). Based on these results, the sizing design and building of a lab scale model were conducted, which in turn will be used later to evaluate its performances working in continuous flow in a real scenario.

Cannabinoid metabolites have been reported to be more potent than the parent compounds. Among them, Ajulemic acid (AJA) is a synthetic analogue of Δ9-THC-11-oic which will be a good template structure for discovery of more potent analogues. Herein, we optimized the key allylic oxidation step to introduce the C-11 hydroxy group with high yield. And a series of compounds were prepared with this condition applied including HU-210, 11-Nor-Δ8-Tetrahydrocannabinol-9-carboxylic acid and Δ9-THC-COOH.

The thionamide antithyroid drugs were discovered largely following serendipitous observations by numerous researchers in the 1940s who found that sulfhydryl-containing compounds were goitrogenic in animals. Prof. Edwin B. Astwood was the first to use these compounds to treat hyperthyroidism. In this review, we summarize the history of the development of these drugs and the coordination possibility of 2-thiouracil and its derivatives, as well as the biological activities of some of its complexes. Some of them are used as agents for the treatment of tuberculosis, and arthritis, others have bactericidal and fungicidal activity, the third cytotoxic properties, and could be used to treat various types of cancer.

Bixa orellana dye was extracted from the seed by method of Soxhlet extraction using ethanol and a percentage yield of 4.3 was obtained. Recrystallisation of the dye was performed using chloroform and ethanol. TLC was used to separate the dye into Bixin and Norbixin with R_f values of 0.56 and 0.42 respectively. The extracted dye was pH sensitive, insoluble in water but soluble in some organic solvents like ethanol and acetic acid . Characterisation by UV-spectroscopy showed maximum absorption for Bixin and Norbixin at 457nm and 453nm respectively. FTIR spectrum of Bixin and Norbixin showed bands confirming similar functional groups for both Bixin and Norbixin except for –CO- stretching and methylene vibration which was absent in Norbixin.

Natural alkaloids of actinomycetes origin and synthetic derivatives have always been among the important suppliers of small-molecule drugs. Among their biological sources, Streptomyces is the highest and most extensively researched genus. Marine-derived Streptomyces strains harbor unconventional metabolic pathways and have been demonstrated to be efficient producers of biologically active alkaloids since more than 60% of these compounds exhibit valuable activity such as antibacterial, antitumor, anti-inflammatory activity, etc. This review comprehensively summarizes novel alkaloids produced by marine Streptomyces discovered in the past decade, focusing on their structural features, biological activity and pharmacological mechanisms. Future perspectives on the discovery and development of novel alkaloids from marine Streptomyces are also provided.

This study focuses on the development and characterization of a series of six new dansyl derivatives (L1 to L6) and their integration into PMMA polymers for application in environmental sensing. The photophysical properties of these derivatives were extensively studied in various solvents and in solid state. A remarkable positive solvatochromic effect was observed, indicating their potential in microenvironmental polarity assessment. The dansyl derivatives demonstrated selective sensing capabilities for Cu2+ and Hg2+ metal ions, with the formation of mononuclear species. Additionally, their acid-base responsive nature was explored, revealing potential for pH-sensitive applications. The incorporation of these derivatives into PMMA polymers resulted in acid-base sensitive materials suitable for environmental monitoring, particularly in detecting hazardous gases and changes in pH levels. This integration overcomes the solubility limitations of dansyl compounds and extends their applicability in diverse sensing scenarios.

MIPs inspired by antigen-antibody interactions have received substantial interest as a biomimetic artificial receptor system in environmental applications. Herein, we present a molecularly imprinted surface plasmon resonance (SPR) sensor integrated with Au nanoparticles for the identification of bisphenol A (BPA), an endocrine-disrupting chemical. The synthetic wastewater samples were analyzed to ensure the method's reliability and feasibility. Under ideal conditions, the suggested approach performed well in terms of analytical performance to BPA, with a wide linear range of 0.1 to 10 ppb and LOD of 10 ng/L. The sensor results and the Langmuir adsorption model have good agreement. It has also been shown that repeated use of the biosensor can be achieved. According to selectivity studies, BPA adsorbed within the imprinted cavities favorably compared to 4-nitrophenol and phenol. The produced BPA-imprinted SPR sensor provides improved sensitivity based on the signal amplification strategy, unconjugated sensing without the need for labeling, real-time sensing, low sample consumption rates, quantifiable assessment, and very good kinetic rate constant calculation in actual samples. Also, because the produced sensor is reusable with relative standard deviations (RSD)<1.25, indicating the sensor's accuracy, the SPR-based biomimetic BPA sensor is simple to practice and may be an economical option.

The recovery and recycling of metals that generate toxic ions in the environment is of particular importance, especially when these are tungsten and, in particular, thorium. The radioactive element thorium has unexpectedly accessible domestic applications (filaments of light bulbs and electronic tubes, welding electrodes, working alloys containing aluminum and magnesium), which lead to its appearance in electrical and electronic waste from municipal waste management platforms. The current paper proposes the simultaneous recovery of waste containing tungsten and thorium from welding electrodes. The simultaneous recovery is done by applying a hybrid membrane electrolysis technology coupled with nanofiltration. An electrolysis cell with sulphonated polyether–ether–ketone membranes (sPEEK) and a nanofiltration module with chitosan-polypropylene membranes (C–PHF–M) are used to carry out the hybrid process. The analysis of welding electrodes led to a composition of: W (tungsten) 89.4%; Th 7.1%; O2 2.5% and Al 1.1%. Thus, the parameters of the electrolysis process were chosen according to the speciation of the three metals suggested by the superimposed Pourbaix diagrams. At a constant potential of 20.0 V and an electrolysis current of 1.0 A, the pH is varied and the possible composition of the solution in the anodic workspace is analyzed. Favorable conditions for both electrolysis and nanofiltration were obtained at pH from 6 to 9, when the soluble tungstate ion, the aluminum hydroxide and solid thorium dioxide were formed. Through a first nanofiltration, the tungstate ion is obtained in the permeate, and thorium dioxide and aluminum hydroxide in the concentrate. By adding a pH 13 solution over the two precipitates, the aluminum is solubilized as sodium aluminate which will be found after the second nanofiltration in permeate, the thorium dioxide remaining integrally (within an error of ±0.1ppm) on the C–PHF–M membrane.

Aqueous Zinc ion batteries (ZIBs) possess significant potential in large energy storage systems due to their cost-effectiveness and environmental protection. However, the limited voltage window and poor reaction kinetics of the cathode material are still bottlenecks, restricting the further development of ZIBs. In this work, we rationally design Ni-doped V2O5@3D Ni core/shell composite on carbon cloth electrode (Ni-V2O5@3D Ni@CC) by growing Ni-V2O5 on the free-standing 3D Ni metal nanonets for high-voltage and high-capacity ZIBs. Impressively, the embedded Ni doping increases the interlayer spacing of V2O5, extending the working voltage and improving the Zn2+ kinetics reaction of the cathode materials, at the same time the 3D structure with high specific surface area and superior electronic conductivity benefits to fast Zn2+ transport. Consequently, the as-designed Ni-V2O5@3D Ni@CC cathodes can operate within a wide voltage window from 0.3 to 1.8 V vs. Zn/Zn2+ and deliver a high capacity of 270 mAh g-1 at a high current density of 0.8 A g-1. In addition, the reversible Zn2+ (de)-incorporation reaction mechanisms in the Ni-V2O5@3D Ni@CC cathodes are investigated by multiple characterization methods. As a result, we achieve a big step toward the practical applications of commercial ZIBs.

In this work, a colorimetric indicator based on gold nanoparticles (AuNP) and a biodegradable and eco-friendly polymer (sodium alginate, Alg.), has been developed, for the real-time detection of fish spoilage products. AuNP and colorimetric indicator were characterized by: UV-Vis, FTIR spectroscopies, TGA, DSC, XRD, TEM, and colorimetry. The UV-Vis spectrum and TEM showed the successful synthesis, the spherical shape, and the size of AuNPs. Results indicated color changes of the indicator in packaged fish on day 9 of storage at refrigerated temperature (5ºC). These results showed the successful application of colorimetric indicator in the detection of TVB-N in packaged fish.

Due to the ever increasing global warming, the scientific community is concerned with finding immediate solutions to reduce or utilize carbon dioxide (CO2) and convert it in useful compounds. In this context, the reductive process of CO2 methanation is well investigated and attractive due to its simplicity. However, it requires the development of highly active catalysts. In this mini-review, the focus is on biochar-immobilized nanocatalysts for CO2 methanation. We summarize the recent literature on the topic, reporting strategies for the design of biochar with immobilized nanocatalysts and their performances in CO2 methanation. We review the thermochemical transformation of biomass into biochar and its decoration with CO2 methanation catalysts. We also tackle direct methods of obtaining biochar-nanocatalysts, in one pot, from nanocatalyst precursor-impregnated biomass. We review the effect of the initial biomass nature, as well as the conditions that permit to tune the perfomances of the composite catalysts. Finally, we discuss the CO2 methanation performances and how they could be improved keeping in mind low operation cost and particularly sustainability.

The pharmaceutical industry is one of the largest pollutants and generator of toxic solvent resi-dues for the environment and human beings. In the last decade, there has been a huge evolution in the design and development of new environmentally friendly products and processes, in re-sponse to the global environmental concern and the growing demand for products with quality ingredients and manufacturing processes aimed at achieving sustainability. Consumers are looking for products with the benefits of natural products, with sustainable and environmentally friendly formulations with few synthetic molecules as possible. Thus, based on the origins of the pharmaceutical industry, it is important to return to Nature and enjoy the benefits that natural products bring to us. Deep eutectic solvents appear as an alternative to toxic solvents commonly used to extract bioactive compounds. These solvents are considered green solvents because they are made up of natural compounds such as sugars, amino acids, and carboxylic acids. In addition, they are simple to prepare, with an atomic economy of 100%, with attractive physicochemical properties. This paper is a comprehensive review in which is described the main properties, characteristics, and production methods of deep eutectic solvents as well as its application to extract from natural sources bioactive compounds with pharmaceutical interest.

The effects of different pulse frequencies on the microstructure grain size and solid solubility of Al-9Si alloy were systematically investigated using OM, SEM, and EDS. The effects on the mechanical properties of the alloy were analyzed using micro-Vickers hardness tester and multifunctional friction tester. During the solidification process, the Al-9Si alloy is exposed to high-frequency electric current pulses with a current density of 300A/cm2 and frequencies of 0Hz, 500Hz, 1 000Hz, and 2 000Hz. The experimental results show that as the high-frequency pulse frequency increases, the Lorentz force also increases. The intense electromagnetic stirring leads to grain refinement. However, as the pulse frequency continues to increase, the combined effect of Joule heating and Lorentz force results in an enlargement of the melt zone and an increase in grain size. At a pulse frequency of 1 000Hz, the eutectic structure size of the Al-9Si alloy is optimal, with the average size reduced to 13.87μm and a dense distribution, effectively eliminating primary Si. The EDS results revealed that the high-frequency pulse led to a more uniform distribution of Si elements within the matrix, and the solid solubility of Si in the α-Al matrix increased to a maximum value of 1.99%, representing a 39.2% increase. At a pulse frequency of 1 000Hz, the sample demonstrates the most favorable mechanical properties, with the friction coefficient reaching a minimum value of 0.302, representing a 37.7% decrease in the average friction coefficient. The results demonstrate that high-frequency pulsing is an effective method for enhancing the mechanical properties of Al-9Si alloy.

The reaction of arylidene-α-amino esters with electrophilic alkenes to yield the Michael type addition compounds is optimized using several phosphines as organocatalysts. The transformation is very complicated due to the generation of several final compounds, including those derived from the 1,3-dipolar cycloadditions. For this reason, the selection of the reaction conditions is a very complex task and the slow addition of the acrylic system is very important to complete the reaction. The study of the variation of the structural components of the starting imino ester is performed as well as the expansion of other electron-poor alkenes. The crude products have a purity higher than 90% in most cases without any purification. A plausible mechanism is detailed based on the bibliography and the experimental results. The synthesis of pyroglutamate entities, after reduction of the imino group and cyclization, is performed in high yields. In addition, the hydrolysis of the imino group, under acidic media, represents a direct access to glutamate surrogates.

Modification the biodegradable matrix was carried by graft-copolymerization polylactide with methacrylic acid of various concentrations. Ultraviolet irradiation with different exposure times to the samples was chosen as the initiator of copolymerization. In the experiment the effect of ultraviolet light on polylactide and graft copolymerization was investigated: the resulting samples were studied by viscosimetry, gravimetry, FTIR, static cation- exchange capacity analysis . The conditions for obtaining grafted copolymers and the dependence of the characteristics on the reaction conditions are established.

Chitosan is a copolymer of β-glucosamine and N-acetylglucosamine. Recent experiments showed that the degree and pattern of acetylation along the chitosan chain modulate the biological and physicochemical properties; however, the molecular mechanism is unknown. Here we apply the de novo all-atom molecular dynamics (MD) simulations to study chitosan’s self-assembly process at different degrees of acetylation and two different acetylation patterns. The simulations revealed that the 10-mer chitosan chains with 50% acetylation in either block or alternating patterns associate to form ordered nanofibrils comprised of mainly antiparallel chains in agreement with the fiber diffraction data of deacetylated chitosan. Surprisingly, regardless of the acetylation pattern, the same intermolecular hydrogen bonds mediate the fibril sheet formation while water-mediated interactions stabilize the sheet-sheet stacking. Moreover, the acetylated units are involved in forming the strong intermolecular hydrogen bonds (NH–O6 and O6H–O7), which offers an explanation for the experimental observation that increased acetylation lowers chitosan’s solubility. Taken together, the present study provides the atomic-level understanding the role of acetylation plays in modulating chitosan’s physiochemical properties, contributing to the rational design of chitosan-based materials with the ability to tune by its degree and pattern of acetylation. Additionally, we disseminate the improved molecular mechanics parameters that can be applied in MD studies to further understand chitosan-based materials.

Tungsten carbide (WC) was well known as a wear-resistant material. Iron-based pow-der was suitable for remanufacturing of cast iron engine parts. To improve the wear resistance of the remanufactured iron-based cast iron engine parts, WC-Co was intro-duced into iron-based powders to prepare composite coatings for cast iron engine components. In this work, FeAlC-x(WC-Co) composite coatings were prepared by plasma transfer arc on compacted graphite cast iron. The influences of WC-Co con-tents in the Fe-AlC-x(WC-Co) composite coatings on the microstructure and properties of the composite coatings were investigated. The composite coatings contained γ-Fe, α-Fe, WC and Fe3W3C mainly. The microhardness of FeAlC-x(WC-Co) composite coatings had the highest hardness of 814 HV0.2, the-lowest coefficient of 0.5 and the lest wear mass loss of 1.3mg when the weight content of WC-Co in the composite coating was 20wt%. As compared with the FeAlC coating, FeAlC-x(WC-Co) composite coating achieved the effect of reducing friction and wear resistance simultaneously, which resulted from the self-lubricating effect of graphite and high wear-resistance of carbides in the claddings.

In this work, we report the engineering of a sub-70 nm nanocomposite of ZnO/Zn2TiO4 using a low-temperature solution-phase method. Titanium isopropoxide and zinc acetate were used as precursors, and isopropyl alcohol and water were used as solvents. The investigation focused on the growth of nanocomposites by varying the concentrations of precursors and surfactants, as well as their efficiency within different pH ranges. All three ZnO/Zn2TiO4 nanocomposites consist of hexagonal wurtzite ZnO and Zn2TiO4 structures in the three nanocomposites. The crystallite size in three ZnO/Zn2TiO4 nanocomposites, with a hexagonal wurtzite ZnO structure, were measured to be 62.67, 40.34, and 39.50 nm. The crystallite size values in three ZnO/Zn2TiO4 nanocomposites were 26.15 nm, 25.36 nm, and 21.24 nm, respectively, with Zn2TiO4. Morphological observations, conducted using FESEM, reveal the formation of three ZnO/Zn2TiO4 nanocomposites across the entire sample. These nanocomposites resemble dispersed cotton packets, with sizes ranging from 18 to 350 nm. Peaks in the range of 610-1250cm-1 are attributed to Ti-O bond formation and peak located at 1350-1450 cm-1 are attributed to Zn-O bond formation. Also, EDX spectrum reveals peaks for various sample components such as Ti, O and Zn. UV spectrums confirmed the formation of three nanocomposite of ZnO/Zn2TiO4 as showing two peaks for each sample. Photocatalytic investigation carried out by analyzing the UV-Visible absorption spectra of methylene blue dye on the surface of ZnO/Zn2TiO4 nanocomposites, dye degradation at various irradiation time intervals, dye degradation at varied catalyst concentrations and the influence of pH on dye-degradation. Furthermore, the said nanocomposites were used to degrade environmental pollutant (Methylene blue dye). Different sets of experiments were conducted under ambient conditions which show an excellent photo catalytic degradation efficiency.

A lignin modified salt resistance branched high-performance water reducer was prepared via free radical polymerization. The water reducing agent was identified through Fourier transform infrared analysis, thermal gravimetric analysis, and scanning electron microscopy. The experiment conducted on cement paste demonstrates that the water-reducing efficiency can reach a maximum of 44%. Additionally, the significant spatial steric hindrance of the application enhances the dispersal capability of the water-reducing agent, resulting in effective water reduction and reduced viscosity. In addition, its compressive strength is the highest after 3-day curing and 3, 7, 28-day standard curing, and it has the best overall performance both in water and saline water prepared systems.The application in oil cement slurry shows that it exhibits good dispersibility in fresh water, saline water, and substitute ocean water. In the Halfaya and Missan Oilfields of Iraq, BHPWR was used in slurry with a density of 2.28g cm-3 for casing the 244.5 mm salt paste layer of five wells. Cementing results exceeded expectations with over 85% excellent and 100% qualified.

Coarse-grained molecular dynamics simulations are employed to investigate spatiotemporal evolution of vesicles (polymersomes) via self-assembly of randomly distributed amphiphilic diblock copolymers in water. Vesiculation pathway consists of several intermediate structures such as spherical/rodlike aggregates, wormlike micelles, lamellae, and cavities. Lamella to vesicle transition occurs at a constant aggregation number and is accompanied by a reduction in the solvent accessible surface area. Simulation predictions are in qualitative agreement with the mechanism of vesicle formation in which the unfavorable hydrophobic interactions between water molecules and polymer segments along the edge of the lamella are eliminated at the expense of gaining curvature energy. However, rod-lamella-vesicle transition is accompanied by an increase in copolymer packing density. Hence, the change in the surface area accompanying vesiculation predicted by the simulations is significantly lower than theoretical estimates. Changes in information entropy, quantified by the expectation of the logarithm of the probability distribution function of the segmental stretch parameter s, defined as the difference between the maximum and instantaneous segmental extension, are statistically insignificant along the vesiculation pathway. For rods, lamellae and polymersomes, s follows a log normal distribution. This is explained based on the configurational dynamics of a single diblock chain in water.

Mesoporous silica nanoparticles (MSNs) can be used as carrier materials for the controlled release of pesticides while reducing their negative environmental impact. In this study, we screened an active ingredient, p-cymene (PC), with an excellent inhibitory effect on rice bacterial blight. Subsequently, the PC was successfully loaded onto MSNs via physisorption(PC@MSNs). PC@MSNs, characterized by a regular spherical shape, smooth surface, and an MSN average size of 262.9 nm, achieved an 8.6 % drug loading capacity. The release kinetics of the PC from the PC@MSNs demonstrated a sustained release (288 h) pattern influenced by drug diffusion. The efficacy of the PC@MSNs against Xanthomonas oryzae pv. Oryzae paralleled those of PC. Acute toxicity assays re-vealed that the PC@MSNs were less toxic to aquatic life (LC50=257.867 mg/L) and that the formu-lation showed no adverse effects on rice seedling growth. In summary, these results suggest that PC@MSNs can broaden PC's application scope in managing rice diseases.

The current work is dedicated to the search for new high-energy materials (HEMs) with improved characteristics which are gained through agglomeration with salts. The research was performed by Becke’s three-parameter hybrid functional approach with non-local correlation provided by Lee, Yang, and Parr and cc-pVTZ basis set. The geometry, total energy, and heat of formation of the most stable compounds forming due to 3-amino-5-[(2, 4, 6-trinitrophenyl) amino]-1H-1, 2, 4-triazole (APATO) within salts selected were obtained to foresee its influence on resistance to shock stimuli, detonation pressure, and velocity of the materials under study. Results obtained allow us to foresee that only agglomeration with precise salts could lead to significant improvement in the stability of the specific high-energy materials and the resistance to shock stimuli. We also show that the agglomeration leads to better energetic properties of the above compound, although the improvement could be insignificant in some cases.

The influence of aluminosilicate pozzolanic waste, specifically spent fluid catalytic cracking catalyst (FCCW) and metakaolin waste (MK) from expanded glass industry, on the properties of hardened Portland cement paste were analysed. The study involved replacing part of cement with FCCW and MK and observing their impact on hydration, microstructure, density and compressive strength of hardened cement paste. Various analysis methods were employed, including X-ray diffraction (XRD), thermogravimetric analysis (TG), and scanning electron microscopy (SEM), to understand the changes in the structure of hardened cement paste during hydration. The findings revealed that FCCW tends to accelerate cement hydration process due to its high surface area and pozzolanic activity. Notably, the formation of portlandite crystals was observed on FCCW particle surfaces in a specific direction. These crystals appeared smaller and developed in different directions in compositions containing a composite binder with mixture of FCCW and MK in a ratio 1:1. This could be influenced by pozzolanic reactions activated by fine particles of MK and the formation of calcium silicate hydrates (CSH) and calcium alumino silicate hydrates (CASH) in the presence of portlandite. XRD and TG results indicated that the specimens containing a composite binder exhibited the least amount of portlandite. The compressive strength of these specimens increased compared to control specimens, although the amount of cement was 9% lower.

The article presents a technology for producing nitrogen-containing nanoporous biocarbon with high degree of elemental composition homogeneity, confirmed by electron spectroscopy. The research explores the relationship among the electronic characteristics of supramolecular nanoporous carbon, its porous structure, and the capacitance at its interface with the electrolyte. The obtained biocarbon is characterized by micro and mesopores, as evidenced by the results of studies by the method of nitrogen adsorption/desorption. The specific area of the available porous surface was found to be 1247 m2/g. Comparing this result with the data of small-angle X-ray scattering, we conclude that micropores are open while mesopores remain closed. This material was found to have a saturation magnetization σs of 1.4 A∙m2∙kg-1 and a coercive force Hc of 10 kA/m. The impedance studies of electrochemical cells of supercapacitors made of the experimental biocarbon were carried out. Equivalent electrical circuits of the studied electrochemical processes were constructed and characterized.

The silane (3-Aminopropyl)triethoxysilane (APTES), possesses one terminal amine group and three ethoxy groups extending from each silicon atom, serving as a crucial interface adherent between organic and inorganic materials. In corrosion prevention, APTES is frequently employed as a primer, with subsequent topcoat as an extra protective layer. This topcoat is particularly useful in covering sites where APTES may exhibit poor bonding, such as those involving Cu or Cu-rich alloying elements. In our study, we applied a thin layer of APTES to cleaned AA2024-T3 samples using concentrated vapor deposition, followed by spin-coating with a diluted PS/acetone solution. Through combinatorial experimentation, we investigated the impact of APTES on the corrosion resistance of the coating system on AA2024-T3. Our findings indicate that a higher surface energy of the APTES primer contributes to better corrosion resistance in the overall coating system. This improvement can be attributed to enhanced wettability achieved by the PS/acetone solution on the cured APTES primer, leading to a more uniform coverage of the dried PS topcoat. Additionally, our research revealed that, in the early stages of exposure to the corrosion solution, a thinner APTES primer enhances protection against corrosion. This effect is attributed to hydrolytic stability mechanisms, and the interactions between hydrolyzation/condensation in soaked APTES and the dissolution of naturally formed aluminum oxide pre-existing in the bare samples. Finally, we observed that an APTES primer subjected to additional heat treatment before topcoating exhibits superior performance in corrosion resistance.

Curcumin attracts a huge attention because of its biological properties: antiproliferative, antioxidant, anti-inflammatory, immunomodulatory and so on. However, its usage has been limited by poor water solubility and low bioavailability. Herein, to solve these problems we developed curcumin-loaded nanoparticles based on end-capped amphiphilic poly(N-vinylpyrrolidone). Nanoparticles were obtained using the suspension method and were characterized by dynamic and electrophoretic light scattering, transmission electron microscopy and atomic force microscopy. The average particle size was 200 nm, and ζ-potential was -4 mV. Curcumin release studies showed that nanoparticles are stable in water solution. In vitro release study showed prolonged action in gastric, intestinal and colonic fluids, consistently and in PBS. In vitro studies on epidermoid carcinoma and human embryonic kidney cells showed that the cells absorbed more curcumin in nanoparticles compared to pure curcumin. Nanoparticles are safe for healthy cells and show high cytotoxicity for glioblastoma cells in cytotoxicity studies in vitro. Median lethal dose was determined in acute toxicity assay on Zebrafish and was 23 μM. Overall, the curcumin-loaded nanoparticles seem promising for cancer treatment.

The electronic structure of 7/9-AGNR superlattices with up to eight unit cells has been studied by means of state of the art DFT and a model Hamiltonian that follows two different approaches: Hubbard type (Hu) and including long range Coulomb interaction (PPP), solved in the mean field approximation. We show that 7/9 interfaces stabilizes non polarized solutions at the mean field level. Considering non-polarized solutions, Hu and PPP Hamiltonians gives solutions with a gap that is closed as the size is increased. This is in line with DFT results. However the density of states around the Fermi level is not correctly described neither in Hu nor in the PPP model. We also interpret the DFT density of states in terms of bands of topological states: localized edge topological states and extended bulk topological states which interacts between them due to the long range Coulomb terms of Hamiltonian. In this line, we show that a screened long range interaction instead describe correctly DFT results and the interaction between topological states. Screening consists of introducing a parameter for an exponential decay in the long range potential of the model Hamiltonian, to vary its spatial range. Calculations on the superlattice just mentioned, illustrate the relevance of include appropriate long range interactions in determining the density of states around the Fermi level (Dirac point).

Nucleobase-containing molecules are compounds essential in biology due to the fundamental role of nucleic acids, and in particular G-quadruplex DNA and RNA in life. Moreover, some molecules different from nucleic acids isolated from different vegetal sources or microorganisms show nucleobase moieties in their structure. Nucleoamino acids and peptidyl nucleosides belong to this molecular class. Closely related to the above, nucleopeptides also known as nucleobase-bearing peptides are chimeric derivatives of synthetic origin and more rarely isolated from plants. Herein the self-assembly properties of a vast number of structures, belonging to the nucleic acid and nucleo amino acid/nucleopeptide family, is explored in the light of the recent scientific literature. Moreover, several technologically relevant properties such as the hydrogelation ability of some of the nucleobase-containing derivatives are reviewed in order to open the door to future experimental investigations of newly-inspired nucleobase-driven hydrogels. Nucleobase-containing molecules, such as mononucleosides, DNA, RNA, quadruplex (G4)-forming oligonucleotides and nucleopeptides, are paramount in gel and hydrogel formation owing to their distinctive molecular attributes and ability to self-assemble in biomolecular nanosystems with the most diverse applications in different fields of biomedicine and nanotechnology. In fact, these molecules and their gels present numerous advantages, underscoring their significance and applicability in both material science and biomedicine. Their versatility, capability for molecular recognition, responsiveness to stimuli, biocompatibility, and biodegradability collectively contribute to their prominence in modern nanotechnology and biomedicine. In this review, we emphasize the critical role of nucleobase-containing molecules of different nature in pioneering novel materials with multifaceted applications highlighting their potential in therapy, diagnostics, and new nanomaterials fabrication as required in order to address the numerous current biomedical and nanotechnological challenges.

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.

Compressed gas storage of hydrogen has emerged as the preferred choice for fuel cell vehicle man- ufacturers, as well as for various applications like road transport, and aviation. However, designers face increasing challenges in designing safe and efficient composite overwrapped pressure vessels (COPVs) for hydrogen storage. One challenge lies in the development of precise software that con- sider a multitude of factors associated with the filament winding process. These factors include layer thickness, stacking sequence, and the development of particularly robust models for the dome region. Another challenge is the formulation of predictive behavior and failure models to ensure that COPVs have optimal structural integrity. The present study offers an exploration of numerical methods used in modeling COPVs, aiming to enhance our understanding of their performance characteristics. The methods examined include finite element analysis in Abaqus, involving conventional shell elements, continuum shell elements, three-dimensional solid elements, and specialized homogenization tech- niques for multilayered composite pressure vessels. Through rigorous comparisons with type-III pressure vessels from the literature, the research highlights the most suitable choice for simulating COPVs and their practicality. Finally, we propose a new design for type-IV hydrogen composite pressure vessels using one explored method, paving the way for future developments in this critical field.

This research explores the enhancement of bio-oil quality through upgrading with the magnetic bimetallic oxide (CuO-Fe3O4) catalysts supported on the activated rice straw biochar (AcB). These catalysts were employed in a supercritical ethanol-based upgrading process. Various characterization techniques, including elemental analysis, XRD, BET, TGA, and SEM, were utilized to characterize the prepared catalyst. The study revealed significant improvements in the physical characteristics and chemical composition of the bio-oil, with higher heating value (HHV) increasing from 21.3 to 32.1 MJ/kg. Esterification and transesterification were identified as key reactions contributing to this improvement. Notably, the pH of bio-oil increased from 4.3 (raw bio-oil) to 5.63 (after upgrading), signifying reduced acidity. The analysis of the bio-oil's chemical composition highlighted a decrease in oxygen content and an increase in carbon and hydrogen content. At the optimum conditions, the application of supercritical ethanol proved to be an efficient method for enhancing the bio-oil's properties. A crucial transformation occurred during the upgrading process and more than 90% % of carboxylic acids were converted into esters, primarily ethyl acetate at the optimal conditions. This study has demonstrated the effective enhancement of raw bio-oil from rice straw through the utilization of carbon-based bimetallic oxide catalysts in a supercritical upgrading procedure.

Self-consolidating concrete (SCC) is highly workable concrete that flows under minimal vibrations into congested reinforcement and sophisticated formworks. The properties of SCC are achieved by incorporating chemical admixtures. In this study, we analyzed if SCC could be designed with a cheap, easily accessible plant extract as a bio-admixture known as aloe vera mucilage (AVM). The main aim is to determine the effect of AVM on SCC prepared from ordinary Portland cement (OPC) and blended cement LC3, consisting of clinker (50%), calcined waste clay (30%), limestone (15%), and gypsum (5%). The AVM is applied in different dosages of up to 10%. The findings showed that the LC3 had a lower rate of consistency, lower slump values, and higher initial and final setting times compared to OPC. The V-funnel and L-box values were reduced with increased plasticizer dosing. Additionally, the OPC samples with both plasticizers achieved higher compressive strength than LC3 in the 7, 14, and 28 curing ages. However, the 2.5 % dosage of AVM showed some increase in compressive strength in both OPC and LC3 samples. Overall, AVM is comparable to the commercial plasticizer used as both influence the reduction of yield stress with an increase in slump flow.

Printed Circuit Boards (PCBs) are essential to most electronic devices. Digitalization and upgradation of gadget generates lots of PCB-containing electronic waste. Conserving resources and protecting the environment requires recycling such e-waste. The present paper is focused on the recovery of metals from PCBs by physical pretreatment and hydrometallurgical processes. Initially, the waste PCBs were pre-treated to separate metallic and non-metallic fractions. The metallic concentrate was leached using nitric acid (strong oxidative agent) for dissolution of metals. The system was fully jacketed with scrubber and condenser so that no emission of toxic gases to the environment. The process parameters viz. effect of acid concentration, pulp density, temperature, time, etc. were optimized and the obtained data were scientifically validated. Kinetics leaching fitted well with the Shrinking core model, XB = kc.t for Cu, (1-(1-XB)1/2) for Ni and 1-3(1-XB)2/3 + 2(1-XB) for Pb. The optimized conditions derived from these studies will be useful for recovery of metals from waste PCBs, and tin left in the residue could be further treated for the purpose of safe disposal or the utilization in an environmentally friendly manner. The developed process provides environmental benefits and has potential to be commercialized after scale-up studies.

Solid tumors are composed of a highly complex and heterogenic microenvironment, with increasing metabolic status, playing a crucial role in the clinical therapeutic outcome of conventional treatments and innovative tumor nanomedicines. Scientists, have devoted great effort in conquering the tumor microenvironment (TME) challenges, in respect of effective drug accumulation and activity in tumor site, overcoming the obstacles of abnormal vasculature, dense stroma and extracellular matrix, hypoxia, and pH gradient acidosis. In this conquest, nanomedicines targeting distinct TME features have flourished, in order to increase site specificity and deep penetration, for effective antitumor activity, and further reprogram TME promoting suppression of cancer stem cells and metastasis. Thereby, several successful nanomedicine therapeutics have been under clinical trials, and further applied in clinical practice. Various novel strategies have been employed in preclinical studies and clinical trials, among which nanomedicines based on biomaterial, that have shown great promise in improving the therapeutic efficacy, reducing side effects, and promoting synergistic activity for TME targeting. In this review, we have focused on the targeting mechanisms for solid TME by nanomedicines based on the application of natural and synthetic biomaterials. We have described critical formulations that have been considered for the design of stimuli-responsive nanomedicines for TME. The development of such systems, has significantly advanced the application of biomaterials, in combinational therapies and in immunotherapies, for improved effectiveness.

The asymmetric synthesis of polyunsaturated triene C18:3 n-3 and C18:3 n-6 methoxylated ether lipids (MEL) of the 1-O-alkyl-sn-glycerol type is described as possible structural candidates for a triene C18:3 MEL of an unknown identity found in a mixture of shark and dogfish liver oil. Their C18:3 hydrocarbon chains constitute an all-cis methylene skipped n-3 or n-6 triene framework, along with a methoxyl group at the 2'-position and R-configuration of the resulting stereogenic centre. The methoxylated polyenes are attached by an ether linkage to the pro-S hydroxymethyl group of the glycerol backbone. The syntheses were based on the polyacetylene approach that involves a semi-hydrogenation of the resulting triynes. Both syntheses were started from our previously described enantio- and diastereomerically pure isopropylidene-protected glyceryl glycidyl ether, a double-C3 building block that was designed as a head group synthon for synthesis of various types of MELs.

Sumatriptan is a serotonin receptor agonist approved by FDA in 1992 to treat migraines. Its’ solid form used in commercially available drugs Imitrex, Treximet, Onzetra Xsail and Zembrace symtouch is sumatriptan succinate. Herein we report on crystal structure of sumatriptane succinate hemi(ethanol solvate), HSum+·HSucc–·0.5EtOH, its comparison with previously reported solids containing derivatives of sumatriptan.

Mixtures of ethanol and methanol being synthesized from CO2 and green H2 can serve as sustainable base chemicals for a number of chemical processes. Amongst these processes, the catalytically-supported synthesis of CO2-neutral C4 to C10 alcohols is of increasing importance as, e.g., iso-butanol can be used as a drop-in fuel or after dehydration to produce iso-butene as a feedstock for the synthesis of plastics. 2-ethyl-hexanol can be further refined into solvents, tensides, or monomers. In this respect, NiPt alloys on an activated carbon support were found to be active and stable catalysts for the synthesis of iso-butanol following the Guerbet reaction scheme. In this study, two different routes are applied to the synthesis of these NiPt catalysts: a more conventional one based on the impregnation of Ni and Pt salts and an advanced path with a surface redox reaction between elemental Ni on the support and Pt ions in a polar solution. The experimental evaluation showed that the Pt particles from the surface redox reaction being exposed on the Ni particles are more active than those on the impregnated catalysts due to their high surface energy. Their specific space-time yields were 10–20 times higher.

Conventional heat treatment is not capable of converting a sufficient amount of retained austenite into martensite in high-carbon or high-carbon and high-alloyed iron alloys. Cryogenic treatment induces the following alterations in the microstructures: (i) a considerable reduction in the retained austenite amount, (ii) formation of refined martensite coupled with an increased number of lattice defects, such as dislocations and twins, (iii) changes in the precipitation kinetics of nano-sized transient carbides during tempering, and (iv) an increase in the number of small globular carbides. These microstructural alterations are reflected in mechanical property improvements and better dimensional stability. A common consequence of cryogenic treatment is a significant increase in the wear resistance of steels. The current review deals with all the mentioned microstructural changes as well as the variations in strength, toughness, wear performance, and corrosion resistance for a variety of iron alloys, such as carburising steels, hot work tool steels, bearing and eutectoid steels, and high-carbon and high alloyed ledeburitic cold work tool steels.

Anthocyanins extract from purple tomato (PTA) was incorporated with polyvinyl alcohol (PVA) so that a series of colorimetric films of PVA/PTA (based on PVA) were prepared. The role of anthocyanin on color response, FTIR, thickness, water content, mechanical properties, antioxidant activity, and permeation of water vapor through the films was examined. In addition, its application in smart packaging to assess the freshness of shrimp was studied. It was found that the tensile strength, contact angle and WVP of PVA/PTA films increases with the addition of more PTA, while the elongation at break and water content decreased. FTIR analysis showed that there are interactions between PTA and PVA matrix. The addition of anthocyanins caused to a significant improvement for the antioxidant properties of PVA films. Furthermore, the total volatile alkaline nitrogen (TVB-N), total plate count (TPC) and pH value of shrimp were monitored after 4 days of refrigeration, and the color change of the indexes was recorded. The PVA/PTA films changed color from purple to yellow-green during the storage time of 0-4d for shrimp, this suggests that the film could be used in smart packaging as a real-time freshness indicator for shrimp.

The peculiar physicochemical features of deep eutectic solvents (DESs), in particular their tunability, make them ideal media for various applications. Despite their ability to solubilize metal oxides, their use as rust removers from valuable substrates has not yet been thoroughly investigated. In this study we chosen three known DESs, consisting of choline chloride and acetic, oxalic or citric acid for evaluating their ability to remove corrosion products from a cellulose-based material as linen fabric and two different lithotypes, as travertine and granite. The artificial staining was achieved by placing a rusty iron grid on their surfaces. The DESs were applied by means of cellulose poultice on the linen fabrics, while on the rusted stone surfaces with a cotton swab. Macro- and microscopic observations, colorimetry and SEM/EDS analysis were employed to ascertain the cleaning effectiveness and the absence of side effects on the samples after treatment. Oxalic acid-based DES was capable of removing rust stains from both stone and cellulose-based samples, while choline chloride/citric acid DES was effective only on stone specimens. The results suggest a new practical application of DESs for the elimination of rust from lithic and cellulosic substrates of precious and artistic value.

Development of load-bearing polymer composite constructions in civil engineering, such as industrial chimneys and gas ducts, requires filling some research gaps. These gaps are related to long-term behavior under mechanical and temperature loads, cyclic ones as well. Such conditions mean that viscoelasticity should be considered. First of all, viscoelastic parameters should be calculated, based on the used inner structure model. Then, due to the high working temperatures, thermal aging should be considered as well. This research is devoted to effects of thermal aging on viscoelastic behavior of polymers. Two sets of experiments were conducted: creep tensile tests and cyclic heating in constrained state. The Kelvin-Voigt viscoelasticity model was used to determine the rheological parameters of binder from experimental creep curves. Thermally-aged binder turned out to lose its viscous properties and became elastic. Cyclic heating was used to compare the behavior of normal and thermally-aged binder and to evaluate the possibility of temperature stress accumulation. Similar to creep tests, cyclic heating showed that aged binder lost viscosity and worked almost perfectly elastic. Non-aged binder was prone to stress accumulation much more. As a result, the rheological behavior of aged and non-aged binder was compared and showed a significant difference. In addition, the influence of temperature stress accumulation on stress—strain state was evaluated and turned out to be significant as well. The obtained results can be further used to predict the mechanical behavior of structures made of polymer composites operating for a long time at elevated temperatures, including those exceeding the glass transition temperature.

This research investigates the difference on the products obtained through two hydrothermal carbonization treatments. Our aim is to synthesize metal-free, carbon-based catalysts for the Oxygen Reduction Reaction (ORR) to serve as efficient and cost-effective alternatives to plati-num-based catalysts. Catalysts synthesized using the traditional hydrothermal approach exhibit a higher electrocatalytic activity for ORR in alkaline media, despite a more energy-intensive pro-duction process. The superior performance is attributed to differences in particle morphology and to the chemical composition of the particle surfaces. The presence of functional groups on the surfaces of catalysts obtained via traditional approach significantly enhances ORR activity by fa-cilitating deprotonation reactions in an alkaline environment. Our research aims to be a reference for future investigations, shifting the focus to the fine-tuning of surface chemical compositions and morphologies of metal-free catalysts to enhance ORR activity.

The design of binders plays a pivotal role in achieving enduring high power in lithium-ion batteries (LIBs) and extending their overall lifespan. This review underscores the indispensable characteristics that a binder must possess when utilized in LIBs, considering factors such as electrochemical, thermal, and dispersion stability, compatibility with electrolytes, solubility in solvents, mechanical properties, and conductivity. In the case of anode materials, binders with robust mechanical properties and elasticity are imperative to uphold electrode integrity, par-ticularly in materials experiencing substantial volume changes. For cathode materials, the se-lection of a binder hinges on the crystal structure of the cathode material. Other vital consid-erations in binder design encompass cost-effectiveness, adhesion, processability, and envi-ronmental friendliness. Incorporating low-cost, eco-friendly, and biodegradable polymers can contribute significantly to sustainable battery development. This review serves as an invaluable resource for comprehending the prerequisites of binder design in high-performance LIBs and offers insights into binder selection for diverse electrode materials. The findings and principles articulated in this review can be extrapolated to other advanced battery systems, charting a course for the development of next-generation batteries characterized by enhanced perfor-mance and sustainability.

The rate constants of elementary processes in the atom-diatom system O(³P)+H₂(v), including the processes of vibrational relaxation and dissociation, were studied using the quasi-classical trajectory method. All calculations were carried out along the ground potential energy surface (PES) ³A′′ that was approximated by a neural network. Approximation data were obtained using ab initio quantum chemistry methods at the extended multi-configuration quasi-degenerate second-order perturbation theory XMCQDPT2 in a basis set limit. The calculated cross sections of the reaction channels are in good agreement with the literature data. A complete set of state-to-state rate constants was obtained for the metathesis reaction, the dissociation and VT relaxation of the H₂ molecule upon collision with an O atom. According to this data Arrhenius approximations over a wide temperature range were obtained for the thermal rate constants of considered processes. Data obtained on the dissociation constants and VT relaxation of vibrationally excited H₂ molecules can be used in constructing kinetic models describing the oxidation of hydrogen at high temperatures or highly nonequilibrium conditions.

The study seeks to unravel the intricate operational sequence involved in preparing prehistoric pigments for rock art within the Puerto Roque rock art shelter. Sixteen pigment samples, identified as Lab Code Puerto_1 to Puerto_16, were meticulously collected from specific figurative representations. Additionally, three ochre samples (Puerto_17, Puerto_18, and Puerto_19) were sourced from the shelter's soil. Employing a comprehensive multi-analytical approach, including Raman microspectroscopy, X-ray microfluorescence (EDxrf), Fourier-transform Infrared spectroscopy (ATR-FTIR), and Scanning Electron Microscopy (SEM), all nineteen samples underwent thorough analysis. The research unveiled a spectrum of distinct red pigments within the rock art depictions. The sampling strategy for the 16 panels in the Puerto region was meticulously designed to capture the diverse array of rock art manifestations, each presenting unique characteristics that warranted detailed scientific investigation. The selection of these panels was guided by the recognition of various artistic techniques employed in the creation of the paintings, the nuanced hues exhibited, prevalent erosion issues, potential effects of sunlight exposure, and the intriguing hypothesis of distinct chronological periods due to several superimpositions detected. Notably, darker pigments in samples Puerto_02, Puerto_10, and Puerto_19 revealed a composition of hematite with the added presence of carbon. Meanwhile, Puerto_08 exhibited an orange hue primarily composed of goethite. Bright red pigments in samples Puerto_01, Puerto_03, Puerto_05, Puerto_07, Puerto_09, and Puerto_11 were predominantly characterised by hematite, as confirmed by Raman analysis. EDxrf analysis demonstrated an elemental composition akin to the three ochre pieces examined. Furthermore, ATR-FTIR spectroscopy suggested the potential influence of a heating process in enhancing red coloration, corroborated by spectral results from specific samples. This finding aligns with prior research, underscoring the technological sophistication embedded in early artistic endeavours. The detailed understanding of pigment types and their preparation methods provides insights into the artistic choices and technological adeptness of prehistoric communities. Beyond the archaeological implications, these findings contribute significantly to the ongoing conservation efforts of rock art sites. The amalgamation of diverse analytical techniques showcased their efficacy in elucidating the intricate world of pigment preparation. Recognizing the unique microclimates at each rock art site that influence pigment preservation, this localised approach aids informed decisions in safeguarding these invaluable cultural resources. In essence, this study not only unravels the artistic past but also advocates for the sustainable conservation of our shared cultural heritage.

Franklinite-Zincochromite-Gahnite solid solutions have been prepared by ceramic or coprecipitation method and its pigmenting capacity as cool ceramic pigments in different glazes (double and single firing frits and porcelain frit) was studied. XRD, UV-Vis-NIR diffuse reflectance, CIEL*a*b* colour analysis, bandgap measurement and the photocatalytic activity over the Orange II azoic dye were carried out for the characterization of samples. Following criteria of high red colouring capacity and high NIR reflectance at minimum Cr amount, Zn(Fe1.8Cr0.2), Zn(Al1.5Cr0.5) and Zn(Al1.3Cr0.5Fe0.2)O4 turn out to be the optimal compositions for an intense reddish cool pigment. All powders show a direct semiconductor behaviour with bandgap around 2 eV, falling in the visible range (620 nm), and according to literature, the associated photocatalytic activity over Orange II with visible light irradiation is moderate in all cases, but the Franklinite-Zincochromite Zn(Fe1.8Cr0.2) stands out.

The enzyme-linked immunosorbent assay (ELISA) coupled with surface-enhanced Raman spectroscopy (SERS) detection is a growing area of analytical chemistry emerged as a solution to a problem of sensitivity improvement. SERS-based ELISA with horseradish peroxidase as an enzymatic label, o-phenylenediamine (oPD) substrate, and 2,3-diaminophenazine (DAP) enzymatic product was one of the first examples of such systems. Surprisingly, the full potential of this long-known approach has not been revealed yet. The current study addresses a previously neglected problem of SERS detection stage performance. Using silver nanoparticles and model mixtures of oPD and DAP, the effects of pH, concentration of aggregating agent, and particle surface chloride stabilizer were extensively evaluated. At optimal mildly acidic pH of 3, 0.93 to 1 M citrate buffer, and AgNPs stabilized with 20 mM chloride, at least two orders of magnitude advantages in the detection limits of SERS over colorimetry both for DAP and HRP were demonstrated. We suppose that this improved detection system could become a useful tool for the development of SERS-based ELISA protocols.

In the rapidly evolving landscape of genetic engineering, the advent of CRISPR-Cas technologies has catalyzed a paradigm shift, empowering scientists to manipulate the genetic code with unprece-dented accuracy and efficiency. Despite the remarkable capabilities inherent to CRISPR-Cas sys-tems, recent advancements have witnessed the integration of small molecule to augment their functionality, introducing new dimensions to the precision and versatility of gene editing applica-tions. This review delves into the synergy between CRISPR-Cas technologies and small molecule drugs, elucidating the pivotal role of chemicals in optimizing target specificity and editing efficiency. By examining a diverse array of applications, ranging from therapeutic interventions to agricultural advancements, we explore how the judicious use of chemicals enhances the precision of CRISPR-Cas-mediated genetic modifications. In this review we emphasize the significance of small molecule drugs in fine-tuning the CRISPR-Cas machinery, which allows researchers to exert meticulous con-trol over the editing process. We delve into the mechanisms through which these chemicals bolster target specificity, mitigate off-target effects, and contribute to the overall refinement of gene edit-ing outcomes. Additionally, we discuss the potential of chemical integration in expanding the scope of CRISPR-Cas technologies, enabling tailored solutions for diverse genetic manipulation challenges. As CRISPR-Cas technologies continue to evolve, the integration of small molecule drugs emerges as a crucial avenue for advancing the precision and applicability of gene editing techniques. This re-view not only synthesizes current knowledge but also highlights future prospects, paving the way for a deeper understanding of the synergistic interplay between CRISPR-Cas systems and chemical modulators in the pursuit of more controlled and efficient genetic modifications.

We present a surface acoustic wave (SAW) sensor array for microRNA (miRNA) detection that utilizes photocatalytic silver staining on titanium dioxide (TiO2) nanoparticles as a signal enhancement technique for high sensitivity with an internal reference sensor for high reproducibility. A sandwich hybridization was performed on working sensors of the SAW sensor array that could simultaneously capture and detect three miRNAs (miRNA-21, miRNA-106b, and miRNA-155) known to be upregulated in cancer. Sensor responses due to signal amplification varied depending on the concentration of synthetic miRNAs. It was confirmed that normalization (a ratio of working sensor response to reference sensor response) screened out background interferences by manipulating data and minimized non-uniformity in the photocatalytic silver staining step by suppressing disturbances to both working sensor signal and reference sensor signal. Finally, we were able to successfully detect target miRNAs in cancer cell-derived exosomal miRNAs with performance comparable to the detection of synthetic miRNAs.

4-(2-Methyloxazol-4-yl)benzenesulfonamide was synthesized by the reaction of 4-(2-bromoacetyl)benzenesulfonamide with an excess of acetamide. The obtained compound was evaluated as a potential inhibitor of human monoamine oxidase (MAO) A and B and was found to inhibit these enzymes with IC50 values of 3.47 μM for MAO-B and 43.3 μM for MAO-A. Thus, the new selective MAO-B inhibitor was identified, which may be used as the lead compound for development anti-Parkinson’s disease agents.

Crystalline phase engineering is a prominent strategy for synergistically optimizing the sur-face-body phases of a catalyst. In this work, TiO2 nanosheets assembled into nanotubes (TNSTs) with two-phases of anatase and rutile were firstly synthesized via crystal engineering by simple thermal annealing, and subsequently loaded with Ru nanoparticles to create efficient benzene hydrogenation catalyst Ru/TNSTs. The well- designed nanosheet-tubes structure boasts large specific surface area and excellent transmission channels, which effectively prevents the ag-glomeration and deactivation of loaded Ru nanoparticles, as well as promotes the internal diffu-sion in the reaction process of benzene hydrogenation to cyclohexene. Furthermore, titanium dioxide nanosheet-tubes contain numerous Ti3+ defects, which not only improves the overall generation rate of cyclohexene, but also enhances the suppression of cyclohexene adsorption. Most importantly, the two-phases of titanium dioxide increases the ratio of the electron defi-ciencies of Ru and promotes cyclohexene desorption. These synergistic properties enhance the selectivity and efficiency of the Ru/TNSTs catalysts, resulting in excellent performance in the hydrogenation of benzene to cyclohexene. Especially the Ru/TNSTs-4 catalyst achieves a 95% in-itial selectivity and 51% yield of cyclohexene in the reaction, outperforming most supported Ru-based catalysts. This work may provide new perspectives for designing efficient benzene hydrogenation catalysts via crystalline phase engineering.

Biofilm-related infections play a significant role in the development and persistence of ventilator-associated pneumonia. Pseudomonas aeruginosa frequently causes biofilm-related infections associated with ventilator tubing. Glucosamine gold nanoparticles (AuNPs) may exhibit antibiofilm properties; however, more studies, including combinatorial therapy with antibiotics, are needed to explore their potential applications in clinical settings. This study aimed to investigate the biofilm inhibition properties of glucosamine AuNPs in combination with meropenem against Pseudomonas aeruginosa ATCC 9027 on the endotracheal tube. A biofilm inhibition assay of glucosamine AuNPs at 0.02 mg/ml, both singly and in combination with meropenem at 1 mg/ml, was carried out against Pseudomonas aeruginosa ATCC 9027 on an endotracheal tube using the tissue culture plate method. Scanning electron microscopy was performed for visualization. Glucosamine AuNPs at 0.02 mg/ml combined with meropenem at 1 mg/ml showed greater biofilm inhibition (72%) than glucosamine nanoparticles at 0.02 mg/ml alone (26%) on the endotracheal tube (p=0.001). The scanning electron microscopic visualization revealed that the untreated Pseudomonas aeruginosa biofilm was denser than the glucosamine nanoparticles-treated biofilm either combined with meropenem or glucosamine nanoparticles alone. The combination of glucosamine AuNPs and meropenem may have the synergistic effect to inhibit biofilm production of Pseudomonas aeruginosa on the endotracheal tube in patient with mechanical ventilation. Conducting additional experiments to explore the impact of combining glucosamine-coated gold nanoparticles (AuNPs) with meropenem on the inhibition of biofilm production by clinical Pseudomonas aeruginosa isolates would be beneficial.

Disposable surgical gowns are usually made from petroleum-based synthetic fibers that do not naturally decompose, impacting the environment. A promising approach to diminish the environmental impact of disposable gowns involves utilizing natural fibers and/or bio-based synthetic fibers. In this study, composite web from polylactic bicomponent fiber and natural fibers, cattail and kapok fiber, were prepared by hot-press method. Only the sheath region of the PLA bicomponent fiber melts, acting as an adhesive that enhanced the strength and reduced the thickness of the composite web compared to its state before hot-pressing. Mechanical and physical properties of composite webs were evaluated. Composite webs created from kapok fiber displayed a creamy yellowish-white color, while those made from cattail fiber showed a yellowish-brown color. Composite webs exhibit hydrophobic properties when adding the natural fiber. The maximum natural fiber content, at a ratio of 30, can be incorporated into composite webs while preserving mechanical properties and proper water vapor permeability. This nonwoven material presents an alternative with the potential to replace petroleum-based surgical gowns.

Alectinib hydrochloride is an anticancer medication used for the first-line treatment of non-small cell lung cancer. Although it has been approved for medical use ten years ago, and three polymorphs of this substance were proposed based on X-ray diffraction patterns, their crystal structures remained unknown to date. The main problem was preparation of high quality single crystals due to very low solubility of the salt. Herein we report on molecular and crystal structure of form I of alectinib hydrochloride as obtained by powder X-ray diffraction data from laboratory source. The refinement revealed that the nitrogen atom of the morpholinyl ring is protonated. The chloride anion interacts with the H(N) atoms of the morpholine and benzo[b]carbazole rings to form infinite H-bonded chains.

Support effect is an important issue in heterogeneous catalysis while the explicit role of a catalytic support is often unclear for catalytic reactions. A systematic density functional theory computational study is reported in this paper to elucidate the effect of a model boron nitride (BN) support on the first N-H bond activation step of NH3 on Run (n =1, 2, 3) metal clusters. Geometry optimizations and energy calculations were carried out using density functional theory (DFT) calculation for intermediates and transition state from the starting materials undergoing the N-H activation process. The primary findings are summarized as follows. The involvement of the model BN support does not significantly alter the equilibrium structure of intermediates and transition state in the most favorable pathway (MFP). Moreover, the involvement of BN support decreases the free energy of activation, ΔG≠, thus improving the reaction rate constant. This improvement is more obvious at high temperatures like 673 K than low temperatures like 298 K. The BN support effect leading to the ΔG≠ decrease is most significant for the single Ru atom case among all three cases studied. Finally, the involvement of model BN may change the spin transition behavior of the reaction system during the N-H bond activation process. All these findings provide a deeper insight into the support effect on the N-H bond activation of NH3 for supported Ru catalyst in particular and for supported transition metal catalysts in general.

The cultivation of pea pods spans across various regions and climates with a global production of around 20 million tons. The pea peel wastes, which make up 30–40% of the total weight of the peas, are freely available in large quantities. The biomass used was characterized via ultimate, proximate, and structural analysis obtaining a 20,2 %w of cellulose and 17,4 %w of hemicellulose which via valorization processes can be transformed into platform chemicals. Hydrothermal valorization presents itself as a clean form of treatment of said wastes, ranging from 120 – 180 ºC (LHW) to 180 to 260 ºC (HTC). The use of LHW can lead to the production of sugars (up to 70%w yield) and levulinic acid (4 %w yield) while the use of HTC leads to Formic acid (40 %w) and levulinic acid (4 %w yield). The use of LHW for longer times favors the production of HMF and Furfural. The use of homogeneous catalysts (H2SO4, CH3COOH, KOH and NaHCO3) was implemented and their selectivity described. Solid fractions of LHW and HTC were characterized via FTIR and elemental analysis and the change in their structure described as they shift from biomass to biochar. Optimal conditions for each platform chemical were reported for best utilization of the peapod waste.

The current trends in environment protection and sustainable development demand the investigations in the field of searching new perspective sources for any production. Oat husks seems to be a perspective resource. Cellulose isolated from oat wastes can be used for the production of different materials such as hydro and aerogels, bacterial, nanocrystal and nanofibrillated cellulose, cellulose based composites and ethers. All these materials can be spent in different industries: production of pharmaceuticals, medicine (including targeted delivery of drugs, sponges etc.), agriculture (controlled delivery of pesticides or fertilizers), electronics, production of films, membranes, plastics, coatings, paints, biodegradable packages. In this review, we will demonstrate prospects for using oat husks to obtain cellulose and for obtaining materials based on the main oat husk polysaccharide. This review will evaluate the main achievements in this area. The analysis will allow a reader to form an analytical opinion about the prospects for using oat husks as a source for obtaining valuable products.

The aim of the study was to examine the influence of different irrigation protocols on the shear bond strength (SBS) of self-adhesive resin composite cement (SARC) to radicular dentin. Radicular dentin slabs (N=58) were sectioned from extracted intact third molars, embedded in acrylate, polished, and randomly assigned to five experimental groups (N=8-12) and one control group, CG (N=8). Irrigation solutions used were sodium hypochlorite (H), ethylene-diamine-tetra acetic acid (EDTA), etidronic acid with hypochlorite (HEDP), saline solution (SS), and chlorhexidine (CHX). Each experimental group underwent different irrigation protocol for two minutes: 1) H/EDTA/H, 2) HEDP, 3) H/EDTA/CHX, 4)H/EDTA/SS, and 5) HEDP/SS. The CG samples were not treated with any irrigation solution. After drying, dual-curing SARC was applied to the radicular dentin using molds corresponding to the Ultra Tester. Specimens were stored at 37°C in distilled water and fractured in shear mode after 10 days. The results were analyzed using the ANOVA statistical test and Post-hoc Games-Howell test, α=0.05. CG exhibited the highest SBS. Except for HEDP and HEDP/SS, all experimental groups showed significantly lower SBS compared to the control group (p< 0.05). HEDP seems to be adequate solution for root canal cleaning before fiber post cementa-tion with self-adhesive resin cement. Cleaning protocols with H, EDTA and CHX cause a signif-icant decrease in bond strength.

The main aspects of mercury sulfide and mercury selenide thin film synthesis using the chemical deposition method are considered. An analysis of various factors affecting film properties was conducted, including the study of how the nature of the substrate and its pre-treatment influence film properties. The effects of the working solution's temperature, deposition time, and annealing conditions on film characteristics were investigated. The impact of these parameters on the phase composition, as well as optical, electrical, and morphological properties of the films, is discussed and summarized. The paragraph also explains how the choice and concentration of initial reagents affect the parameters, characteristics, and properties of the obtained films.

The Langmuir isotherm is a widely used model for analyzing adsorption equilibrium data. This study evaluated the efficiency and accuracy of all four linear forms of the Langmuir isotherm and its non-linear form using 67 experimental data sets selected from the literature. The results showed that only if all four linear forms simultaneously show high accuracy, then the non-linear form also shows high accuracy, and therefore it can be said that the process probably follows the Langmuir isotherm. On the contrary, when at least one of the four linear forms of the Langmuir isotherm has low accuracy, it means that the non-linear form also has low accuracy, and it can be concluded that this process does not follow the Langmuir isotherm. This research suggests that all four linear forms of the Langmuir isotherm should be evaluated simultaneously to conclude whether the studied system follows the Langmuir isotherm or not. In other words, relying on only one of the four linear forms of the Langmuir isotherm to model adsorption and calculate the Langmuir constant and maximum adsorption capacity is an incomplete approach, contrary to the conventional approach.

Numerous types of oligonucleotide modifications have been developed since automated synthesis of DNA/RNA became a common instrument in the creation of synthetic oligonucleotides. Despite the growing number of types of oligonucleotide modifications under development, only a few of them, and moreover, their combinations have been studied wide enough in terms of their in-fluence on the properties of corresponding NA constructions. In the present study, a number of oligonucleotides with combinations of 3′ end lipophilic (single cholesteryl or pair of dodecyl residues) and phosphate backbone modifications were synthesized. The influence of the combi-nation of used lipophilic groups with phosphate modifications of various nature and different position on the efficiency of cell penetration was evaluated. Obtained results indicate that even a couple of phosphate modifications are able to affect a set of oligonucleotide properties in a complex manner and can remarkably change cellular uptake. These data clearly show that the strategy of using different patterns of modification combinations has great potential for the ra-tional design of oligonucleotide structures with desired predefined properties.

Negative thermal quenching (NTQ) denotes that the integral emission spectral intensity of a given phosphor increases continuously with increasing temperature up to a certain elevated temperature. NTQ has been a subject of intensive investigation in recent years and a large number of phosphors were reportedly to have exhibited NTQ. In this paper, a collection of results in the archival literature about NTQ of specific phosphors are discussed from a macroscopic viewpoint in the following three aspects:1) Could NTQ of a given phosphor be reproducible?2) Could the associated data for a given phosphor exhibited NTQ be in line with the law of conservation of energy?3) Could NTQ of a given phosphor be demonstrated in a prototype WLED device? By analyzing typical cases based on common sense, it is hoped to increase the awareness for the issues with the papers reporting NTQ of the specific phosphors based on spectral intensity along with for the importance of keeping stability and consistency of the measurement conditions in temperature-dependent spectral intensity measurement which is a prerequisite for the validity of the measurement results.

The development of Al-Ni alloys with a controlled microstructure has had a great impact on the field of study of aluminum-based alloys. In the present research, the influence of thermal parameters on the grain structures resulting from the directional solidification process of Al-Ni alloys with different alloy content has been studied. It has also been evaluated how different structures and the distribution of second phases influence the corrosion behavior and microhardness of alloys. The columnar-to-equiaxed transition (CET) was observed to occur when the temperature gradient in the melt decreased to values between 1.3 to 2.9 ° C/cm. In addition, a small increase in the microhardness values was observed as a function of the Ni-content. When the Ni-content increase, the resistance to polarization decreases for samples with equiaxed grain structure, throughout the range of compositions studied. Furthermore, the equiaxed grain structure presents higher resistance to polarization values than the columnar grain zone, for alloys with a composition equal to or lower than the eutectic composition.

In the context of high-temperature water vapor treatment, Zn-Mg-Al alloy-coated steel sheets exhibit the emergence of a black surface. This study aims to explore the factors and mechanisms contributing to surface blackening by inducing black surfaces on Zn-Mg-Al alloy-coated steel sheets, which were fabricated through molten coating subjected to water vapor treatment at 150 degrees Celsius. The surfaced composition was predominantly identified as ZnO, a zinc oxide film, validated through X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). Morphological analysis of the surface and cross-section post-water vapor treatment revealed a disrupted lamellar structure with diffused features, resulting in the formation of an oxide film. Optical properties analysis demonstrated an increased absorbance and a decreased bandgap energy after water vapor treatment, indicative of an augmented blackening effect. Consequently, the high-temperature water vapor treatment led to the formation of oxides on the surface, with the highly reactive Mg and Al extracting oxygen from the predominantly present ZnO surface. This process resulted in the creation of an oxygen-deficient oxide, ultimately causing surface blackening.

Novel 4-(diphenylphosphoryl)-1-phenylbutane-1,3-dione was synthesized by the reaction of diketone enamine with diphenylchloro phosphine followed by oxidation and hydrolysis of the enamine phosphine formed. Tautomeric transformation of the diketone moiety of phosphine oxide was investigated by ¹H NMR. Three out of five possible tautomers were observed in the 4-(diphenylphosphoryl)-1-phenylbutane-1,3-dione solution. The major tautomer was the form with a diketone fragment.

The main objective was to analyze the influence of silicon content on high-temperature oxidation of low-alloy steels. Samples of AISI 1045, AISI 5160, and AISI 9254 steels, with different silicon contents, were oxidized at an isothermal temperature of 1000°C for times of 20 minutes, 40 minutes, and 60 minutes. The oxide layers formed mainly contain hematite, magnetite wustite, and fayalite. The average thickness of the oxide layer can decrease with an increase in silicon content below 1% but can increase for contents greater than 1% due to the difference in density between fayalite and iron oxides. Silicon tends to accumulate on the surface of steel and form a SiO2 film in the early stages of oxidation, which can control the oxidation process. The eutectic compound FeO+Fe2SiO4 forms at the oxide-steel interface, and its thickness increases with oxidation time and the silicon content present. The SiO2 film tends to decrease with oxidation time and silicon content.

Bottlebrush (BB) elastomers with water-soluble side chains and tissue-mimetic mechanical properties are promising for biomedical applications like tissue implants and drug depots. This work investigates the microstructure and phase transitions of BB elastomers with crystallizable polyethylene oxide (PEO) side chains by real-time synchrotron X-ray scattering. In the melt, the elastomers exhibit the characteristic BB peak corresponding to the backbone-to-backbone correlation. Upon crystallization of the side chains, the intensity of the peak decays linearly with crystallinity, and eventually vanishes due to BB packing disordering within intercrystalline amorphous gaps. This behavior of the bottlebrush peak differs from an earlier study of BBs with poly(ε-caprolactone) side chains, explained by stronger backbone confinement in the case of PEO, a high-crystallinity polymer. Microstructural models based on 1D SAXS correlation function analysis suggest crystalline lamellae of PEO side chains separated by amorphous gaps of monolayer-like BB backbones.

In a recent effort to mitigate harm from human pathogens, many biosynthetic pathways are extensively evaluated for their ability to inhibit pathogen growth and determine drug targets. Among those, one of the important products/targets of such pathways is isopentenyl diphosphate, the universal precursor of isoprenoids, which are essential for the normal functioning of microorganisms. In general, two biosynthetic pathways lead to the formation of isopentenyl diphosphate: 1) the mevalonate pathway in animals and 2) the non-mevalonate or methylerythritol phosphate (MEP) in many bacteria, some protozoa, and plants. Because the MEP pathway is not found in mammalian cells, it is considered an attractive target for the development of antimicrobials against a variety of human pathogens, including Mycobacterium tuberculosis (M.tb). In the MEP pathway, 4-diphosphocytidyl-2-c-methyl-d-erythritol kinase (IspE) phosphorylates 4-diphosphocytidyl-2-C-methyl-D-erythritol (CDPME) to form 4-diphosphocytidyl-2-C-methyl-D-erythritol 2-phosphate (CDPME2P), followed by cyclization to 2-C-methyl-D-erythritol 2,4-cyclodiphosphate (MECPP) by 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF). A virtual high throughput screening was done by docking IspE protein with commercially available compounds and identified an active heterotricyclic compound. Hence, we designed, synthesized, and tested similar new heterotricyclic compounds. This study will provide the critical insight necessary for the ability to develop novel antimicrobials that target the MEP pathways in pathogens.

Surface processes such as coatings, corrosion, photocatalysis, and tribology are greatly diversified by acid-base interaction at the surface overlayer. This study focuses on the action of metallic copper surface as an electron donor/acceptor related to inactivation of viruses; it was found that regarding Cu2O or Cu materials electrostatic interaction plays a major role in virus inactivation. We applied TPPE method to clarify the mechanism of electron transfer (ET) occurring at light irradiated copper surfaces. The TPPE characteristics was strongly influenced by the environments, which correspond to the temperature and environment dependence of the total count of emitted electrons in the incident light wavelength scan (PE total count, NT), the photothreshold, and further the activation energy (E) analyzed from Arrhenius plot of NT values obtained in the temperature-increase and subsequent temperature-decrease processes. In this study we reexamined the dependence of the TPPE data from two types of Cu metal surfaces: Sample A, which was mechanically abraded in alcohols, water, and air, and Sample C, which was only ultrasonically cleaned in these liquids. The NT for both Samples slowly increased with increasing temperature, reached a maximum (NTmax) at 250C (maximum temperature, Tmax), and after that decreased. For Sample A the NTmax value decreased in the order H2O > CH3OH > C2H5OH > (CH3)2CHOH > C3H7OH, although the last alcohol gave Tmax = 100C, while with Sample C the NTmax value decreased in the order: C3H7OH > (CH3)2CHOH > C2H5OH > CH3OH > H2O. Interestingly, both orders of the liquids were completely opposite: this means that Cu surface can possess two-way character. The NT intensity was found to be strongly associated with the change of the hydroxyl group (Cu-OH) to the oxide oxygen (O2) in the O1s spectra in the XPS measurement. The difference between the above orders was explained by the acid-base interaction mode of the Cu-OH group with the adsorbed molecule on the surfaces. The H2O adsorbed on Sample A produces the electric dipole Cu-OH+---:OH2 (--- hydrogen bond), while the C3H7OH and (CH3)2CHOH adsorbed on Sample C produce ROH+---:O(H)-Cu (R = alkyl groups). Gutmann’s acceptor number (AN) representing the basicity of the liquid molecules was found to be related to the TPPE characteristics: (CH3)2CHOH (33.5), C2H5OH (37.1), CH3OH (41.3), H2O (54.8) (the AN of C3H7OH could not be confirmed). With Sample A the values of NTmaxa and EaUp1 both increased with increasing AN (Up1 means the 1st temperature-increase process). On the other hand, with Sample C the values of NTmaxc and EcUp1 both decreased with increasing AN. These findings suggest that Sample A acts as an acid, while Sample C functions as a base. However, in the case of both types of Samples A and C the NTmax values were found to increase with increasing EUp1. It was explained that the EUp1 values depending on the liquids originate from the difference in the energy level of the hydroxyl group radical at the surface denoted. This is able to attract electrons in the neighborhood of the Fermi level of the base metal by tunnelling. After that due to Auger emission electrons are released, leading to the ET in the overlayer. These electrons are considered to have a strong ability of reducibility.

A soluble biopolymer (SBP) was obtained by hydrolysis in pH 13 water at 60 °C. The dry product was re-dissolved in plain water at pH 10 and used as control against the same solution added with hydrogen peroxide at 0.1-3 H2O2 moles per SBP carbon mole. The control and test solutions were kept at room temperature, in the dark or in a climatic chamber under irradiation with simulated solar light, until the solutions pH remained constant. Afterwards, the solutions were processed to recover and analyze the crude soluble products. For the control solution, the results indicated significant production of CO2, production of organic carboxyl functional groups and de-polymerization of the pristine SBP organic matter. These findings demonstrate the oxidation of SBP by water, which could only occur through the production of O and OH radicals catalyzed by SBP. The present work reports the results obtained from the control solution and for the test solution treated in the presence and absence of H2O2, with and without pH control, in the dark and under irradiation with simulated solar light. The paper discusses the perspectives of further implementation of the autocatalytic properties of SBP for the realization of a municipal biowaste-based biorefinery producing value added bio-products for consumer’s use.

Indigo leaves form various plant species are sources of dyes/pigments, not fully exploited for making sustainable textiles. Blue indigo vat dye extracted from indigo leaves, yields high wash colorfastness but fades slowly with light, and is not easily used for direct printing. Indigo leaves can be used to produce textiles of various color shades, while light resistant Mayan-inspired hybrid pigments have not yet been used for textile coloring. Using blue indigo dyes from 3 plant species, with exhaustion dyeing, intense wash resistant blue colored textiles are produced, and in the case of Indigofera Persicaria tinctoria, textiles have antibacterial activity against S. Epidermis and E. Coli.100% Natural Mayan-inspired blue indigo pigment, made from Sepiolite clay and indigo dye, was used both in powdered and paste forms to perform pigment textile dyeing by pad cure process, and direct screen printing on textiles. A water-based bio-binder (40%) was used efficiently for both padding and printing. Bio-based Na Alginate thickener allowed color fast printing on both polyester and cotton fabrics, while bio-based glycerin allowed good print color fastness on polyester only, yielding prints with excellent color fastness to wash (5/5), to dry and wet rubbing (5/5) and light (7/7).

Sodium-phosphate-based glass-ceramics (GCs) are promising materials for a wide range of applications, including solid-state sodium-ion batteries, microelectronic packaging substrates, and humidity sensors. This study investigates the impact of 24-hour heat-treatments at varying temperatures on Na-Ge-P glass, with a focus on (micro)structural, electrical, and dielectric properties of prepared GCs. Various techniques such as powder X-ray diffraction (PXRD), infrared spectroscopy-attenuated total reflection (IR-ATR), and scanning electron microscopy-energy dispersive spectroscopy (SEM-EDS) are employed. With the elevation of heat-treatment temperature, crystallinity progressively rises; at 450 °C, the microstructure retains amorphous traits featuring nanometric grains, whereas at 550 °C, heat-treatment results in fully crystallized structures characterized by square-shaped micron-scale grains of NaPO3. The insight into the evaluation of electrical and dielectric properties is provided by Solid-State Impedance Spectroscopy (SS-IS), revealing a strong correlation with the conditions of controlled crystallization and observed (micro)structure. The glass-ceramic heat-treated at 450 °C achieves the highest DC conductivity of 2.30×10–8 Ω–1 cm–1 at 393 K. As the heat-treatment temperature rises, the crystallization of the NaPO3 phase depletes the glass matrix of mobile Na+ ions, resulting in a reduction in DC conductivity. Dielectric parameters also decrease with rising heat-treatment temperature, with the glass-ceramic heat-treated at 550 °C displaying the lowest permittivity of 19.37 and the dielectric loss of 0.008. This research uncovers the intricate relationship between heat-treatment conditions and material properties, emphasizing that controlled crystallization allows for precise modifications to microstructure and phase composition within remaining glassy phase, ultimately facilitating fine-tuning of material properties.

Ti-aluminosilicate gels were used as supports for immobilization of Fe, Co and Ni oxides (5%) by impregnation, and synthesis of efficient photocatalysts in degradation of β-lactam antibiotic from water. Titanium oxide (1 and 2%) was incorporated into zeolite network by modifying the gel during the zeolitation process. The formation of the zeolite Y structure and its microporous structure were evidenced by X-ray diffraction and N2 physisorption. The structure, composition, reduction and optical properties were studied by X-ray difraction, H2-TPR, XPS, Raman, photoluminiscence and UV-Vis spectroscopy. The obtained results indicated a zeolite Y structure for all photocatalysts with tetra-coordinate Ti4+ sites. The immobilized metals from group VIII are both in the form of metal oxides such as Fe2O3, Fe3O4, CoO, Co3O4 , NiO and also in the me-tallic state (Fe0, Co0, and Ni0). A red shift of the absorption edge was observed in UV-Vis spectra of photocatalysts upon addition of Fe, Co or Ni species. The photocatalytic performances were evaluated in degradation of cefuroxime from water under visible light irradiation. The best results were obtained for iron immobilized photocatalysts. Scavenger experiments explained the photocatalytic results and their mechanisms. A different contribution of the active species to the photocatalytic reactions was evidenced.

Two-dimensional (2D) materials show advantages as surface enhanced Raman scattering (SERS) substrate over traditional noble metals, such as chemically inert flat surface and uniform SERS signals. However, due to the low density of free electrons of 2D materials, the enhancement mechanism is mainly restricted to chemical enhancement instead of electromagnetic enhancement, resulting a relatively low enhancement factor. In this work, we reported a sensitive 2D SERS substrate based on chemical vapor deposited MoN nanosheets with electromagnetic enhanced mechanism. The maximum enhancement factor can be 3×105 with a limit of detected concentration of 4×10-8 M, which is comparable to those noble metal SERS substrates without hot spots. The MoN nanosheets show strong surface plasmon resonance in the visible range as evidenced by the UV-vis absorption spectroscopy and first principle calculation. The MoN nanosheets SERS substrates exhibit excellent Raman signal uniformity within the nanosheets. Meanwhile, Distinct thickness dependent sensitivity was observed in the MoN nanosheets, higher sensitivity can be achieved by decreasing the thickness of the nanosheets. Furthermore, the MoN nanosheets SERS substrate also show high thermal stability, which can be annealed in air for more than 300℃ and maintain its SERS activity. The high stability of MoN nanosheets allows it to be reused for 20 cycles without obvious signal decay. The high sensitivity, stability, reusability and Raman signal uniformity, makes MoN nanosheets an ideal 2D SERS substrate for practical applications.

Magnesium, as one of the most abundant cation in the human body, plays an important role in both physiological and pathological processes. In this study, it was shown that a promising biomedical material Mg-substituted hydroxyapatite (Mg-HA) can be synthesized via fast mechanochemical method. For this method, the nature of magnesium-contained carriers was shown to be important. When using magnesium oxide as a source of magnesium, the partial insertion of magnesium cations into the apatite structure occurs. In contrast, when magnesium hydroxide or monomagnesium phosphate is used, a single-phase Mg-HA is formed. Both experimental and theoretical investigations showed that an increase in the Mg content leads to a decrease in the lattice parameters and unit cell volume of Mg-HA. Density functional theory calculations showed the high sensitivity of the lattice parameters towards the crystallographic position of the calcium site substituted by magnesium. It was shown experimentally that insertion of magnesium cations decreases the thermal stability of the hydroxyapatite. The thermal decomposition of Mg-HA leads to the formation of a mixture of stoichiometric HA, magnesium oxide and Mg-substituted tricalcium phosphate phases.

New [1,2]dithiolo[3,4-b]pyridine-5-carboxamides were synthesized through the reaction of dithiomalondianilide (N,N'-diphenyldithiomalondiamide) with 3-aryl-2-cyanoacrylamides or by a three-component reaction involving aromatic aldehydes, cyanoacetamide and dithiomalon- dianilide in the presence of morpholine. The structure of 6-amino-4-(2,4-dichlorophenyl)- 7-phenyl-3-(phenylimino)-4,7-dihydro-3H-[1,2]dithiolo[3,4-b]pyridine-5-carboxamide was con-firmed using X-ray crystallography. To understand the reaction mechanism in detail, density functional theory (DFT) calculations were performed with a Grimme B97-3c composite computa-tional scheme. The results revealed that the rate limiting step is a cyclization process leading to the closure of 1,4-dihydropyridine ring with an activation barrier of 28.8 kcal/mol. Some of dithiolo[3,4-b]pyridines exhibited moderate herbicide safening effects against 2,4-D . Additional-ly, ADMET parameters were calculated and molecular docking studies were performed to identify potential protein targets.

New hetero-polynuclear coordination complexes based on pentacoordinated Zn(II) metal center with tridentate terpyridine-based ligands and monoanionic gallates functionalized with long alkyl chains containing ferrocene units were designed, synthesized and characterized by spectroscopic and analytical methods. The complexes are mesomorphic, exhibiting columnar hexagonal mesophases at room temperature. The photophysical properties in solution were accurately investigated and the influence of the polarity of the media in solution was evidenced.

In this work, a ferrocene-containing gallic acid derivative modified carbon nanotubes paste electrode (Gal-Fc-CNT) obtained by simple mechanical mixing was studied for fast simultaneous voltammetric detection of doxorubicin (DOX), capecitabine (CPB) and cyclophosphamide (CPP) as cytostatic index by cumulative signal and selective detection of DOX. The electrochemical behaviors of individual and simultaneous DOX, CPB and CPP studied by cyclic voltammetry (CV) on Gal-Fc-CNT electrode at various pHs and potential ranges allowed the development of simple simultaneous detection method as cytostatic index at pH of 12 using square-wave voltammetry technique operated at modulation amplitude of 100 mV, step potential of 4 mV, frequency of 25 Hz and 100 mV·s−1 potential scan rate that allowed better performance than reported electrodes. Faster and selective detection of DOX with the lowest limit of detection of 75 ng⸱L-1 was achieved using square-wave voltammetry technique operated at modulation amplitude of 100 mV, step potential of 4 mV, frequency of 50 Hz and 200 mV·s−1 potential scan rate. The good results obtained for real tap water assessment indicated the utility of Gal-Fc-CNT paste electrode for practical applications (water samples, pharmaceutical formulations).

Delivery systems of the biologically active substance such as proanthocyanidins (PCAN) produced through the electrospinning method were designed using a blend of poly(L-lactide-co-glycolide) and poly[(R,S)-3-hydroxybutyrate]. The research involved the structural and thermal characteristics of the developed electrospun three-dimensional fiber matrix, as well as hydrolytic degradation tests performed on them. Additionally, the release profile of PCAN from the electrospun nonwoven was determined using UV–VIS spectroscopy. Approximately 30% of PCAN was released from the tested electrospun nonwoven during the initial 15-20 days of incubation. The chemical structure of water-soluble oligomers that were formed after the hydrolytic degradation of the developed delivery system was identified through electrospray ionization mass spectrometry. Oligomers of lactic acid and OLAGA oligocopolyester, as well as oligo-3-hydroxybutyrate terminated with hydroxyl and carboxyl end groups, were recognized as degradation products released into the water during the incubation time. It was also demonstrated that variations in the degradation rate of individual mat components influenced the degradation pattern, and the number of formed oligomers. The obtained results suggest that the incorporation of proanthocyanidins into the system slowed down the hydrolytic degradation process of the poly(L-lactide-co-glycolide)/poly[(R,S)-3-hydroxybutyrate] three-dimensional fiber matrix. In addition, in vitro cytotoxicity and antimicrobial studies advocate the use of PCAN for biomedical applications with promising antimicrobial activity.

Recently, nanotechnologies have become increasingly prominent in the field of bone tissue engineering (BTE), offering substantial potential to advance the field forward. These advancements manifest in two primary ways: the localized application of nanoengineered materials to enhance bone regeneration and their use as nano-vehicles for delivering bioactive compounds. Despite significant progress in the development of bone substitutes over the past few decades, it is worth noting that the quest to identify the optimal biomaterial for bone regeneration remains a subject of intense debate. Ever since its initial discovery, poly(lactic-co-glycolic acid) (PLGA) has found widespread use in BTE due to its favorable biocompatibility and customizable biodegradability. This review provides an overview of contemporary advancements in the development of bone regeneration materials using PLGA polymer. The review covers some of PLGA properties with a special focus on modifications of these properties towards bone regeneration. Furthermore, we delve into the techniques for synthesizing PLGA nanoparticles (NPs), the diverse forms in which these NPs can be fabricated, and the bioactive molecules that exhibit therapeutic potential for promoting bone regeneration. Additionally, we addressed some of the current concerns regarding the safety of PLGA NPs, and PLGA-based products available in the market. Finally, we briefly discussed some of the current challenges and proposed some strategies to functionally enhance the fabrication of PLGA NPs towards BTE. We envisage that the utilization of PLGA NP holds significant potential as a potent tool in advancing therapies for intractable bone diseases.

Curcumin [1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione], a component of Curcuma longa L. rhizomes, displays various biological and pharmacological activities. However, it is poorly bioavailable and unstable in physiological pH, which has led more stable and effective curcumin analogs (e.g., monoketone curcuminoids, or MKCs) to be synthesized, and their biological activities to be described. In this review, we cover papers published between 2019 and 2023 on the antimicrobial, anticancer, antioxidant, and antiparasitic actions as well as other less common MKC biological and pharmacological activities. We also address the Claisen-Schmidt condensation as a standard procedure to synthesize MKCs.

Electroluminescence (EL) is an innovative technology in the lighting area. The EL device's main structure consists of a phosphor layer sandwiched by two electrodes. In this work, several alternating current EL devices have been developed by applying a set of sequential layers with combinations of in-house prepared inks and commercially available ink as a phosphor layer. A flexible polyester textile substrate was functionalized with inks by spray coating technique, after knife-coated an interfacial layer directly on the surface. A thorough study was carried out on the phosphor layer composition to optimize the EL device performance, more precisely the illuminance intensity and the illuminance homogeneity. The developed phosphor layer was composed of zinc sulphide doped with copper (between 30.0 to 38.1 wt%) and diluted by using a diluent at different ratios (28.0 to 35.5 wt%). The best peak illuminance intensity of 61 lux was obtained when the phosphor ink presented 35.4% ZnS:Cu and was diluted with 33.0% diluent. The aim of this study to determine the best formulation of the phosphor layer, which can be highly promising for further developments of EL devices, taking in account different applications in market.

Among the electrochemical energy storage (EES) technologies, rechargeable batteries (RBs) and supercapacitors (SCs) are the two most desired candidates for powering a range of electrical and electronic devices. The RB operates on Faradaic processes, whereas the underlying mechanisms of the SC vary as non-Faradaic in the electrical double layer capacitors (EDLCs), Faradaic at the surface of the electrodes in the pseudo capacitors (PCs), and a combination of both non-Faradaic and Faradaic in the hybrid capacitors. The EDLCs offer high power density but low energy density. The hybrid capacitors take advantage of the Faradaic process without compromising their capacitive nature. Unlike batteries, supercapacitors provide high power density and numerous charge-discharge cycles; however, their energy density lags that of batteries. Here, we review recently published critically selected articles on supercapatteries, a generic term that refers to EES devices that can combine the merits of EDLCs and RBs. Also discussed are the properties, design strategies, and future perspectives of supercapatteries.

In this study, we investigated the surface modification of LiNi1/3Co1/3Mn1/3O2 cathode material by coating it with ZnO and examined the changes in surface composition using X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) analysis. Furthermore, we investigated the electrochemical properties, including discharge capacity and initial irreversible capacity, of the modified materials. The results revealed that ZnO predominantly existed on the material surface, exerting influence on both surface composition and electrochemical characteristics. As the ZnO coating amount increased, the nickel and manganese content on the material surface also increased, and heat treatment at 400 °C resulted in the formation of composite oxides of transition metals and zinc on the material surface. The bonding energy of transition metals increased, and ZnO coating at a mass fraction of 2 % effectively suppressed irreversible reactions around 3.6 V at 55 °C, thereby improving initial coulombic efficiency. Battery materials coated with 2% ZnO exhibited optimal discharge capacity and cycle life at 55 °C/0.5 C.

With increasing concerns over environmental impact, and overall health of both the environment and its people, a need to quantify contaminants is of the utmost importance. Chemosensors with low detection limits and relative ease of application can address this challenge. Nitrite ions are known to be detrimental to both the environment and human health. A new colorimetric chemodosimeter has been prepared from a homolytic photochemical cleavage of a reaction between pyrrole and pyridine. The product, 4(pyrrol1-yl)pyridine, yields a limit of detection of 0.330 (±0.09) ppm for the detection of nitrite in aqueous solution, employing a colorimetric change from yellow to pink. It is also highly selective for nitrite when various competitive anions such as SO32- , NO3-, PO43-, SO4-2, Cl-, F-, I-, Br-, and CN- are present in great excess. The molecule’s especially high sensitivity to nitrite is apparently the result of a complex supramolecular mechanism, characterized by both dynamic light scattering of the aggregate and the Tyndall effect. Consequently, this new sensor provides a simple, low-cost way to rapidly detect nitrite anions in aqueous solution.