Cu-ions dispersed on reduced graphene RGo prepared and characterized in a liquid state in ethanol. Either constant ultrasounds or a sequence of ultrasounds (15s working, 15s stop) were applied for 6 min or 2h overall time, at a power of 500 W. Commercial graphite in ethanol was introduced at a concentration of 0.04 g/mL and CuCl2 2.5 H2O concentrations between 0.012 and 0.04 g/mL were used. The structural characterizations performed by XRD, microscopic, and spectroscopic techniques, after a centrifugation at 5000 rpm applied 12 min before Cu-introduction, led to conclude that: 1) Without copper, negative peaks in UV spectra were detected with concentrated pure graphene solutions, indicating light emission as nicely confirmed next by fluorescence measurements, 2) After addition of copper chloride and equilibration for 2 min , very intense and narrow peaks of intensity larger than 10 were observed. These peaks due to collective excitations generating plasmons were suppressed at a higher dilution and also if the cell with one cm optical path was replaced by a narrower cell with a 0.2 cm path. When plasmons were suppressed, in the UV spectral range, a band gap due to the energy transition between the valence filled  orbitals and conducting empty * orbitals, was observed. The presence of Cu (II) and Cu (I) cations were evidenced by Visible NIR spectroscopy. The formed “green” liquors containing Cu (II) Cu (I) /graphene in ethanol were stable in air for months and had good photocatalytic visible properties as demonstrated by the decomposition of two dyes.

Thermal analysis is widely employed for the characterization of nanomaterials. It encompasses a variety of techniques that allow the evaluation of the physicochemical properties of a material by monitoring its response under controlled temperature. In the case of carbon nanomaterials, such as carbon nanotubes and graphene derivatives, thermogravimetric analysis (TGA) is particularly useful to determine the quality and stability of the sample, presence of impurities and the degree of functionalization or doping after post-synthesis treatments. Furthermore, TGA is widely used to evaluate the thermal stability against oxidation by air, which can be for instance enhanced by the purification of the material and by nitrogen doping, finding application in areas where a retarded combustion of the material is required. Herein, we have evaluated key parameters that play a role in the data obtained from TGA. Within this study we show that the thermogravimetric curve of carbon nanomaterials is greatly influenced by these parameters. This is important in terms of data recording and their analysis, since a poor control of the conditions of measurement might lead to false conclusions. We highlight this by analyzing different samples of graphene and carbon nanotubes where both thermal stability and sample purity assessment are found to be dependent on the employed TGA parameters. Finally, a set of TGA parameters are recommended for the analysis of carbon nanomaterials to obtain reliable data.¡

The effect of sonication on the molecular characteristics of poliacrylic acid (Carbopol® Ultrez 10) and its rheological behavior in aqueous dispersions and microgels containing 0.25 wt. % of the polymer was analyzed in this work by rheometry, weight-average molecular weight (Mw) measurements via static light scattering (SLS), Fourier transform infrared (FTIR) spectroscopy and confocal microscopy. For this, the precursor dispersion and the microgels were sonicated in a commercial ultrasound bath at constant power and different times. We observed a softening of the microgel microstructure consisting of a systematic decrease in its shear modulus, yield stress and viscosity with increasing sonication time, while their overall Herschel-Bulkley (H-B) behavior was preserved. SLS measurements evidenced a reduction of Mw of polyacrylic acid with sonication time. Separately, FTIR measurements indicate that sonication produces scission in the C-C links of the Carbopol® backbone, which results in chains with the same chemistry but lower molecular weight. Finally, confocal microscopy measurements revealed a concomitant diminution of the size of the microsponge domains with sonication time, which is reflected in a softer microstructure resulting from reduction of the molecular weight of polyacrylic acid. The present results indicate that both the microstructure and the rheological behavior of Carbopol® microgels, in particular, and complex fluids in general, may be manipulated or tailored by high-power ultrasonication.

Layered Ti3C2Tx MXene has been successfully intercalated and exfoliated with the simultaneous generation of a 3D silica network by treating its cationic surfactant intercalation compound (MXene-CTAB) with an alkoxysilane (TMOS) resulting in a MXene-silica nanoarchitecture that exhibits porosity along with the intrinsic properties of MXene (e.g., photothermal response). The ability of these new materials to produce thermal activation reactions of compounds previously adsorbed on MXene-SiO2 is shown here. For this purpose, the pinacol rearrangement reaction has been selected as a first model example, testing the effectiveness of NIR laser-assisted photothermal irradiation in these processes. This work shows that Ti3C2Tx – based nanoarchitectures open new avenues for applications that rely on the combined properties inherent to their integrated nanocomponents that could be extended to the broader MXene family.

A modification to the conventional spark plasma sintering (SPS) process was undertaken to allow edge-free deformation of grains longitudinally to the loading axis in a process termed spark plasma texturing (SPT). The resulting Al7075 SPT compact was compared to SPSed Al7075 in terms of densification behaviour, microstructural evolution, and mechanical properties. The result reported herein highlights the unique benefits of the SPT technique and potential application in the manufacturing of advanced materials.

Demand for environmentally friendly types of energy is growing all over the world, which naturally increases the intensity of work on the production of hydrogen-containing fuel mixtures. Steam reforming of methanol is one of the most effective areas of research, as it is a process with low energy consumption. The results of steam reforming of methanol on the catalysts prepared by solution combustion synthesis (SCS) and impregnation by moisture capacity are presented. Investigation of the activity of Cu-Ce-Al catalysts of different composition was carried out for production of hydrogen and comparison of SCS with traditional impregnation method. Methanol conversion reaches 99%, while the selectivity of H2 was 88%, at 500 °C. It was found that CuAl2O4 spinel formation is due to substitution of Al3+ with Cu2+ Ce3+ cations. A consequence CuAl2O4 and CeAlO3 lattice parameters increase because of difference in ionic radius of Al3+ (0.53 Å) and Cu2+ (0.73 Å), Ce3+ (1.07 Å). Advantages of SCS catalysts in steam reforming of methanol were shown. The aim of this research is to develop a new catalyst for conversion of methanol into hydrogen containing fuel mixtures, which will further promote the organization of a new era of environmentally friendly energy-saving production methods.

A typical halogen-free flame-retardant (HFFR) formulation for electric cables may contain polymers, various additives, and fire-retardant fillers. In this study, composites are prepared by mixing natural magnesium hydroxide (n-MDH) with linear low-density polyethylene (LLDPE) and a few types of ethylene-octene copolymers (C₈-POE). Depending on the content of LLDPE and C₈-POE, we obtained composites with different crystallinity that affected the final mechanical properties. The nucleation effect of the n-MDH and the variations in crystallinity caused by the blending of C₈-POE/LLDPE/n-MDH were investigated. In the C₈-POE/LLDPE blend, we found a decrease in the crystallization temperature of LLPDE compared to pure LLDPE and an increase in the crystallization temperature of C₈-POE compared to pure C₈-POE. On the contrary, the addition of n-MDH led to an increase in the crystallization temperature of LLDPE. As expected, the increase in the crystallinity of the polyolefin matrix of composites led to higher elastic modulus, higher tensile strength, and lower elongation at break. Overall, these results show how to obtain the required mechanical features for halogen-free flame-retardant compounds for electric cable applications depending on the quantities of the two miscible components in the final blend.

Cultural heritage is a fundamental part of the society’s identity, and its conservation is of great relevance as it transcends time and memory. To minimize its deterioration, cultural heritage has traditionally undergone diverse preservation and maintenance treatments and the attention of researchers to develop new and innovative methods for state diagnosis and protection treatments has been increasing in the recent decades. Therefore, in this study, a literature review using a bibliometric analysis and LDA methodology was conducted to systematically map scientific research outputs on cultural heritage conservation and protection. Data was retrieved from the Scopus database and the annual publications, countries, most-cited publications, authors, institutions, and keywords have been comprehensively analyzed, leading to the detection of research trends. Findings show an increasing number of studies in this field in the last decades, particularly since 2010. Italy, home to the largest number of UNESCO heritage sites, is the most prolific country. Most of the studies are related to metal, paper and stone as substrate to be protected. Significant progress has been made in understanding the deterioration processes through precise diagnosis and the development of innovative treatments for protection. In this sense, latest trends have been detected such as the use of non-invasive techniques for diagnosis and the use of nanotechnology and nature-based treatments for the conservation treatments.

A better understanding of high temperature processes in slags contributes to facilitate knowledge based design of the solidified product. Here, a slag analogue with a nominal composition of 17 wt% LiMnO2 and 83 wt% Ca2SiO4 was synthesized encountering fairly high cooling rates. The Mn species from 1223 K to 1773 K was simulated using a thermodynamic model assuming a homogeneous melt. The micro-composition including the Mn species of the solidified slag was determined experimentally and was used as basis for molecular dynamics (MD) simulation. The MD simulation provides information on structure and viscosity at high temperatures, otherwise difficult to access. These parameters significantly influence oxidation state of redox-active elements and the solidified product. The micro-composition analyzed by electron probe micro analysis (EPMA) and synchrotron based micro-X-ray fluorescence (micro-XRF) showed that Mn-rich and Ca-Si-rich phases are separated. While the Mn-O phases did not contain noticeable Ca, the Ca2SiO4 phase had incorporated 0.6 wt% of Mn. The slag solidified into round shaped and droplet shaped grains of a Li-Mn-oxide, some Mn3O4 and Ca2SiO4. The powder X-ray diffraction (PXRD) confirmed the formation of larnite, the identity of the Li-Mn-oxide however remained inconclusive. The Mn oxidation state (OS) was identified using synchrotron based micro-X-ray absorption near edge spectroscopy (micro-XANES). The Mn-O grains, matched well with Li-Mn-oxides and a Mn OS: +3 e.g. LiMn3+O2. Small areas matching Hausmannite (Mn2+Mn23+O4) were also identified. The OS of Mn in the silicate phase could not be identified. For comparison a slowly cooled slag analogue with similar composition however higher Si content, was also subjected to micro-XANES. The slowly cooled slag formed long Mn-rich needles in a matrix of large calcium silicate crystals. The Mn-rich crystals matched well with the XANES spectrum of a Mn3+ Li-oxide like LiMn3+O2. At the rim of the needles the Mn-spectra matched well the Hausmannite (Mn2+Mn23+O4) reference. In the silicate phases Mn had a OS: +2, unambiguously. The melt structure at different temperatures of two compositions i.e. LiMn3+O2 and Ca2SiO4 was simulated using molecular dynamics (MD). They serve as model compositions assuming a heterogeneous melt. The results show significant different degrees of polymerization and viscosity. Information from MD simulations can support the identification of potentially different oxygen permeability and with that prediction of oxidation states. The bulk composition was identified by inductively coupled plasma optical emission spectrometry (ICP-OES), bulk structure by PXRD and bulk species by lab-XANES. The synchrotron micro analysis including micro-XRD were performed at the microfocus beamline I18 at the Diamond Light Source. Pure reference compounds were prepared and characterized with the same multi-modal approach.

Aiming at the removal of radioactive cobalt ions from water by graphene oxide (GO), the adsorption mechanism of Co2+ on graphene oxide was analyzed using the quantum chemical calculation software Gaussian 16 based on the density functional theory. The influence of material structure factors such as carboxyl group, hydroxyl group, epoxy group and graphene sheet as well as external environmental factors such as pH, temperature and interfering ions on the adsorption effect was determined, and the influence of external environment was verified through experiments. Through calculation and experiment, it was found that the existence of oxygen-containing functional groups on graphene oxide can improve the adsorption efficiency of the materialappropriately,and increasing pH under acidic conditions was also helpful to improve the adsorption effect, and the material had certain selectivity for Co2+, the adsorption capacity and selectivity could be further improved when it was modified by increasing hydroxyl group.

In the present work, an innovative range of foams, based on flax gum-filled epoxy resin was developed, reinforced or not by flax fibers. Foams and composites with different gum and epoxy resin contents were produced and characterized for mechanical and thermal performances. To enhance the organic flax gum filler's cross-linking, we exploited the oxidized components' reactivity with the amine hardener (isophorone diamine). We compared the materials obtained with those derived from the native components. Flax gum and fibers were primarily characterized by chemical analysis, NMR, and FTIR to evaluate the mild oxidation of native materials. The formation of chemical bonds between oxidized polymer chains, epoxy resin, and hardener has been evidenced by FTIR, and the materials were then studied by SEM, X-ray computed micro-tomography (CT), and submitted to mechanical and thermal tests. The relevance of oxidation treatment was highlighted, through a significant increase in density and mechanical performances (+36% and +81%, respectively for the 100% flax gum material). The positive effect of flax fibers on homogeneity evidenced through micro-CT analysis was also clearly addressed. This set of promising results paves the way for future development of fully flax-based insulation composite materials.

Solid-state batteries (SSBs) have emerged as a promising alternative to conventional lithium-ion batteries, with notable advantages in safety, energy density, and longevity, yet the environmental implications of their lifecycle, from manufacturing to disposal, remain a critical concern. This review paper examines the environmental impacts associated with the production, use, and end-of-life management of SSBs, starting with the extraction and processing of raw materials which highlights significant natural resource consumption, energy use, and emissions. A comparative analysis with traditional battery manufacturing underscores the environmental hazards of novel materials specific to SSBs. The review also assesses the operational environmental impact of SSBs by evaluating their energy efficiency and carbon footprint in comparison to conventional batteries, followed by an exploration of end-of-life challenges including disposal risks, regulatory frameworks, and the shortcomings of existing waste management practices. A significant focus is placed on recycling and reuse strategies, reviewing current methodologies like mechanical, pyrometallurgical, and hydrometallurgical processes, along with emerging technologies that aim to overcome recycling barriers, while also analyzing the economic and technological challenges of these processes. Additionally, real-world case studies are presented, serving as benchmarks for best practices and highlighting lessons learned in the field. In conclusion, the paper identifies research gaps and future directions for reducing the environmental footprint of SSBs, underscoring the need for interdisciplinary collaboration to advance sustainable SSB technologies and contribute to balancing technological advancements with environmental stewardship, thereby supporting the transition to a more sustainable energy future.

The use of thiosemicarbazones (TSCs) as ligands for the functionalization of nanoparticles (NP) for various purposes, such as the covalent immobilization is fueled by their modular character (thiosemicarbazides + carbonyl compound), allowing enormously broad variation of up to four substituents on the main R1R2C=N(1)–NH–C(S)–N(4)R3R4 core. For R1 and R2 we introduced di-2-pyridyl ketone for the coordination of metals and 9-anthraldehyde for luminescence. R3 and R4 substituents were varied for various purposes. Amino acids were functionalized at the N4 position to [R1R2TSC–spacer–amino acid] conjugates for future peptide conjugation or for direct anchoring to NP via their carboxylic function. Further direct NP anchoring functions such as phosphonic acid (OP(OH)2), glucose, o-hydroquinone, OH, and thiol (SH) were introduced with or without separation through hydrocarbon spacer units such as phenyl, cyclohexyl, benzyl, ethyl and methyl in [R1R2TSC–spacer–anchor group] conjugates. [R1R2TSC–spacer–end group] conjugates including OH, S-Bn (Bn = benzyl), NH-Boc (Boc = tert-butyloxycarbonyl), COOtBu, or N3 end groups were produced for the facile formation of amide, ester, or triazine conjugates through click chemistry. The synthesis of the thiosemicarbazides H2NH–C(S)–NR3R4 starting from amines, including amino acids, SCCl2 or CS2, and hydrazine and their condensation with dipyridyl ketone and anthraldehyde lead finally to 34 new TSC derivatives. They were synthesized in up to six steps with overall yields ranging from 10 to 85% and were characterized by a combination of elemental analyses, mass spectrometry, and magnetic nuclear resonance spectroscopy. UV-vis absorption and photoluminescence spectroscopy allowed to easily trace the dipyridyl imine and anthracene chromophores.

In these last years, self-healing polymers have emerged as a topic of considerable interest owing to their capability to partially restore material properties and thereby extend the product's lifespan. The main purpose of this study is to investigate the nano-indentation response in terms of hardness, reduced modulus, contact depth and coefficient of friction of a self-healing resin developed for use in aeronautical and aerospace contexts. To achieve this, the bifunctional epoxy precursor underwent tailored functionalization to improve its toughness, facilitating effective compatibilization with a rubber phase dispersed within the host epoxy resin. This approach aimed to highlight the significant impact of the quantity and distribution of rubber domains within the resin on enhancing its mechanical properties. The main results are that pure resin exhibits a higher hardness (about 36.7% more) and reduced modulus (about 7% more), consequently leading to a lower contact depth and coefficient of friction (11.4% less) compared to other formulations that, conversely, are well-suited for preserving damage from mechanical stresses due to their capabilities in absorbing mechanical energy. Furthermore, finite element method (FEM) simulations of the nanoindentation process were conducted. The numerical results were meticulously compared with experimental data, demonstrating a good agreement. This validation of the FEM model underscores its efficacy in predicting the mechanical behavior of nanocomposite materials under nanoindentation. The proposed investigation aims to contribute knowledge and optimization tips about self-healing resins.

The aim of this manuscript is to synthesize and characterize novel silylated Sm3+ and Eu3+ complexes and incorporate them into mesoporous silica nanoparticles (MSNs) and dense silica nanoparticles (DSNs). Sm3+ and Eu3+ ion complexes were chosen for their strong UV-visible emission, deep-red luminescence, and effective interaction with bidentate organic ligands, such as 2-thenoyltrifluoroacetone (tta) and 1,10-phenanthroline (phen). Silylated ligands were employed as coupling agents to form covalent bonds between the complexes and an oxide matrix via a conventional sol-gel process. This approach aims to enhance the thermal stability and photophysical properties of the resulting hybrid material compared to free complexes. The new silylated-bidentate ligand complexes, using tta and phen as organic ligands and 3-chloropropyltriethoxysilane as the silylating agent, were characterized by FTIR, luminescence spectroscopy, and luminescence decay. After incorporation into silica nanoparticles, the hybrid materials were characterized by SEM, TEM, DLS, zeta potential, SAXS, porosity, surface area measurements, luminescence spectroscopy, and MTT assay. The results confirm the successful synthesis of new luminescent silylated complexes with high luminescence intensity and their incorporation into silica nanoparticles.

In this research the efficiency of degradation of different organic contaminant classes, including pesticides (tembotrione, clomazone), pharmaceuticals (ciprofloxacin, 17α-ethinyl estradiol) and mycotoxins (zearalenone, deoxynivalenol, fumonisin B1), by subcritical water treatment, was studied in model systems. All experiments were conducted in a house-made batch type pilot reactor. The research was focused on the optimization of the treatment parameters by using moderate treatment conditions. Optimization of the remediation processes of water contaminated with 17α-ethinyl estradiol, tembotrione, clomazone, ciprofloxacin, was conducted by testing different homogeneous and heterogeneous catalysts, as well as different gas atmospheres (nitrogen and carbon-dioxide) for pressurization of the process system. Mycotoxins in water were degraded without catalysts and all experiments were conducted in nitrogen atmosphere. Optimization was conducted by defining the optimal combination of the treatment temperature and time, oriented towards energy saving and minimization of the technical requirements. The degradation efficiency in all tested samples was determined by HPLC analysis.

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

A novel electrospun nanofiber was developed using polyamide-6 (PA) and ε-poly-L-lysine (PL). PA is a popular textile polymer having desirable mechanical and thermal properties, chemical stability, and biocompatibility. However, PA nanofibers are prone to bacterial growth and user discomfort. PL, a natural homopolyamide, is non-toxic, antimicrobial, and hydrophilic but lacks spinnability due to its low molecular weight. Given its similar backbone structure as PA, with an additional amino side chain, PL was integrated with PA to develop multifunctional nanofibers. This study explores a simple, scalable method to obtain PL nanofibers by utilizing the structurally similar PA as the base. The goal was to enhance the functionality of PA by addressing its drawbacks. The study demonstrates spinnability of varying concentrations of PL with base PA while exploring compositions with higher PL concentrations than previously reported. Electrospinning parameters were studied to optimize the nanofiber properties. The effects of PL addition on morphology, hydrophilicity, thermal stability, mechanical performance, and long-term antimicrobial activity of nanofibers were evaluated. The inclusion of PL in PA-based nanofibers resulted in super hydrophilicity, increased tensile strength, and efficient antimicrobial properties with long-term stability. These enhanced characteristics hold promise for the composite nanofiber’s application in medical and protective textiles.

Diabetes is one of the metabolic syndromes that demands the great concern affecting millions of people all over the world. Viral infections were also considered as responsible for diabetes. Though, variety of medications for prevention and treatment of diabetes are available, numerous limitations are also prevailing that cannot be neglected. Precise drug-targetability, controlled drug-release, oral bioavailability, minimizing side effects are a few to consider. To address most of these shortcomings of traditional drug-delivery models, nanoformulation has been employed therein a wide range of nanoformulation models are developed. The pharmacology of a drug can be greatly enhanced through nanoformulation models in diabetes treatment in terms of enhanced bioavailability, prolonged and sustained drug-lease, maintain maximum drug concentration in serum, higher intestinal absorption, and protection from enzymatic degradation. In this review work, recently designed nanoformulation models for efficient insulin delivery and the other properties concerning diabetes such as reducing blood glucose level, total cholesterol, triglycerides, lipid profile, wound healing, elevating antioxidant enzymes etc. are discussed. Classification of the nanoformulation models is done based on the nature of the fabricating material employed in nanoformulation. This review may be helpful in designing a more efficient nanoformulation model for diabetes treatment.

In this work, the surface of poly(ethylene terephthalate) track-etched membranes (PET TeMs) with pore sizes of 670-1310 nm was hydrophobized with 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl acrylate (DFHA) by photoinitiated graft polymerization. Attenuated total reflection FTIR spec-troscopy (ATR-FTIR), scanning electron microscopy (SEM) coupled to an energy-dispersive X-ray spectrometer (EDX), and contact angle measurement were used to identify and characterize the TeMs. The optimal parameters for graft polymerization were determined as follows: polymeriza-tion time 60 min, monomer concentration of 30% and distance from the UV-source 7 cm. The wa-ter contact angle of the modified membranes reached 97° which is 51o for pristine membranes. The modified membranes were tested for water desalination using direct contact membrane distillation (DCMD) method. The effect of membrane pore size, the degree of grafting and salt concentration on the performance of membrane distillation process was investigated. According to the results obtained, it has been concluded that large pore size hydrophobic TeMs modified by using DFHA could be used for desalinating water.

Chemical vapor deposition (CVD) is a vital process for depositing thin films of various materials with precise control over thickness, composition, and properties. Understanding the heat and mass transfer mechanisms during CVD is essential for optimizing process parameters and ensuring high-quality film deposition. This review provides an overview of recent advancements in the heat and mass transfer modeling for chemical vapor deposition processes. It explores innovative modeling techniques, recent research findings, emerging applications, and challenges in the field. Additionally, it discusses future directions and potential areas for further advancement in CVD modeling.

Catalytic studies for hydrogen production via steam reforming of ethanol (SRE) are essential for process optimization. Likewise, selecting the ideal support for the active phase can be critical to achieve high conversion rates during the catalytic steam reforming. In this work, copper-based catalysts were synthesized using two different supports, NaY zeolite and Nb2O5/Al2O3 mixed oxides. The materials were prepared using wet impregnation and characterized for their physicochemical properties using different analytical techniques. Differences in catalyst morphologies were readily attributed to the characteristics of the support. The Cu/NaY catalyst showed better textural properties than Cu/Nb2O5/Al2O3, resulting in a homogeneous metal dispersion over the support surface. Both catalytic systems were active in SRE, but Cu/NaY resulted in higher ethanol conversions compared to Cu/Nb2O5/Al2O3. Hence, the performance of copper-based catalysts was influenced significantly by the textural properties of the support.

High-quality and large-size single crystals of lead-free Na0.5Bi0.5TiO3 were grown using the Czo-chralski technique. The crystals had pure perovskite structure with rhombohedral symmetry and were translucent in the visible and near infrared spectral ranges recorded in the interval 350-1050 nm. The energy gaps determined from the X-ray photoelectron spectroscopy (XPS) and optical measurements were approximately 2.92 eV. The current-voltage characteristics, depolarization current, dc (σdc) and ac (σac) electrical conductivity, and Seebeck coefficient of the crystals were investigated. The frequency/temperature-dependent electrical properties were also measured and analyzed through complex impedance spectroscopy. An overlapping reversible insulator-metal transition (resistive switching) on nanoscales, caused by the electric field, was detected. This was the first time that most of these investigations were performed for this material. The following conductivity mechanisms of NBT single crystals were identified: (i) quasi-free electron and hole conduction and hopping-charges mechanism at low temperatures, (ii) small polaron conductivity in the middle temperature range, and (iii) a significant contribution of the oxygen vacancies to conductivity in the high temperature range. The activation energy values determined from the conductivity data, the imaginary part of the electric impedance and the modulus indicate that the relaxation process in the high-temperature range is attributable to both single and double ionized oxygen vacancies, in combination with the hopping of electrons between Ti4+ and Ti3+. P-type electrical conductivity was also found. These discoveries create new possibilities of reducing the electrical conductivity of NBT and improving the process of effectively poling this material. The density of the electronic states was investigated using an ab initio method. The energy gap cal-culated for NBT (R3c) was 2.8 eV, and is well comparable to those determined from XPS and optical measurements. Our results indicate the possibility of tuning material properties by inten-tionally creating non-stoichiometry/structural defects (oxygen vacancies, cation excess and cation deficiency).

Antibiotic-loaded bone cement (ALBC) plays a pivotal role in infection prevention and treatment related to musculoskeletal surgery. The release efficacy of antibiotics from ALBC is closely tied to its surface area, yet little is known about the effective release depth. To investigate the relationship between surface area, volume, and antibiotic elution, spheric ALBC specimens with consistent outer diameters but different internal metal sphere diameters were prepared. Two vancomycin doses were utilized in ALBC specimens with an outer diameter of 35 mm: high (4 g) and low (1 g). Each dosage group included five specimens containing embedded metal spheres with diameters of 15, 25, 29, 32, or 33 mm. The resulting shell-like ALBC specimens had thicknesses of 10 mm, 5 mm, 3 mm, 1.5 mm, or 1 mm, respectively. The specimens were immersed in sterile phosphate buffer solution, and antibiotic elution was measured at designated sampling times (1, 3, 6, 10, 24, 48, 72, and 168 hours). Methylene blue was employed to visualize penetration depth. Vancomycin elution did not display statistically significant differences between high- and low-dose groups. In both groups, specimens with 1 mm thickness exhibited a higher vancomycin release efficiency (high-dose group: 18560±5474 μg, 6.7%; low-dose group: 2017±419 μg, 2.6%), decreasing sharply in thicker ALBC specimens. Methylene blue penetration depth showed no apparent difference between high-dose and low-dose groups. ALBC thickness does not significantly impact antibiotic elution, while surface area and antibiotic dose exert notable effects. These in vitro findings offer potential applications in clinical treatments for musculoskeletal infections.

Today, enhancing food preservation and safety in the spirit of the bioeconomy suggests the use of biodegradable polymers such as poly-L-lactic acid (PLA) in food packaging and the replacement of chemical additives with natural antioxidant/antibacterial agents such as essential oils and their derivatives. Herein a novel carvacrol (CV) @ natural zeolite (NZ) nanohybrid was developed by employing a new vacuum adsorption desorption method which results in the adsorption of a high CV amount on NZ equal to 61.7 %wt. This CV@NZ nanohybrid was successfully dispersed in a PLA/triethyl citrate (TEC) matrix via a melt-extrusion process to obtain PLA/TEC/xCV@NZ nanocomposite films with 5, 10 and 15 CV@NZ %wt. content. PLA/TEC/xNZ films were also de-veloped for comparison. The overall study resulted in a biodegradable active film with the fol-lowing properties: 10%wt. CV@NZ content (PLA/TEC/10CV@NZ), self-healable properties, 22% higher tensile strength and 40% higher elongation at break, 45% higher water barrier and 40% higher oxygen barrier than pure PLA/TEC matrix. This film also provides high CV release content, high CV control release rate as well as significant antioxidant activity and antibacterial activity against the food pathogens Staphylococcus aureus and Salmonella enterica spp. enterica serovar Typhimurium. This film not only succeeds in extending the shelf-life of fresh pork minced, as shown by total variable count measurements in four days, but also prevents lipid oxidation of fresh minced pork and maintains the minced meat in higher nutritional conditions, as revealed by the heme iron content determination, and in a much better and acceptable sensory condition than the commercial packaging paper.

DFT calculations on the photoisomerization reactions of pyridazine N-oxide derivatives are presented. The irradiation of 3,6-diphenylpyridazine N-oxide allowed to obtain the first excited singlet state that underwent to a ring opening reaction induced to the oxygen migration to the adjacent carbon atom, with the formation of a diazo derivative. This intermediate can give a ring closure reaction to give a pyrazole derivative, or, with a higher transition energy, it can lose nitrogen allowing the formation of 2,5-diphenylfuran. The irradiation of 3-phenylpyridazine N-oxide allowed the formation only of 2-phenylfuran. In this case, calculations allowed to explain this behavior. The first excited singlet state gave a photoisomerization reaction with the formation of the corresponding diazo intermediate. This intermediate could not be converted into the corresponding pyrazole derivative because it was converted into a N-formyl pyrazole never reported in literature. The only possible reaction is the loss of nitrogen and the formation of 2-phenylfuran.

In this study, a modular multi-step photometric microflow injection analysis (micro-FIA) system for the automatic determination of Cu(II) in a bioreactor has been developed. The system incorporates diverse 3D-printed modules, including a platform formed by a mixer module to mix Cu(II) with hydroxylamine which reduces Cu(II) to Cu(I) linked to a diluter module via a Tesla valve, a chelation mixer module, a disperser module, and a detector module provided by a LED light source at λ= 455 nm and a light dependence resistor (LDR) as a light intensity detector. The system measures the color intensity resulting from the chelation between Cu(I) and neocuproine. The micro-FIA system has demonstrated good capability for automatic and continuous Cu(II) determination, in a wide range of Cu concentrations from 34 to 2000 mg L-1. The device exhibits a good repeatability (coefficient of variation below 2% across the concentration range), good reproducibility, and has an accuracy of around 100% between 600 to 1900 mg·L-1. Real samples were analyzed using both the micro-FIA system and an atomic absorption spectroscopy method, revealing no statistically significant differences. Additionally, a Tesla valve located before the detector substituted a 3-way solenoid valve, eliminating the need for moving parts.

The ubiquitous nature of polymers have led to a widespread demand for sustainable polymers in numerous industrial applications. However, lack of well laid out guidelines, product development pathways and certifications have resulted in a lot of commotions and confusions within the polymer value chain. Herein, a meticulous review is conducted on the topic of polymer sustainability shedding light on the standards, product declarations, biobased-biomass concepts, product carbon footprint etc. It is critical that companies significantly contribute on such sustainability efforts in lieu of market readiness and competitive advantages. Any discussion within the sustainability horizon references a couple of terms/ abbreviations/concepts. In this article, such key terminologies and concepts related to polymer sustainability are reviewed with a holistic outlook on the widespread approaches within the polymer sustainability horizon.

As a new type of high-performance material, gradient structural steel is widely used in engineering fields due to its unique microstructure and excellent mechanical properties. For the prevalent fatigue failure problem, the rate of change of the local grain size gradients along the structure (referred to as the gradient rate) is a key parameter in the design of gradient structures, which significantly affects the fatigue performance of gradient structural steel. In this work, a method of ‘Voronoi primary + secondary modeling’ is adopted to successfully establish three typical high-strength steel models corresponding to the convex, linear, and concave type gradient rates for gradient structures, focusing on the stress-strain response and crack propagation in structural steel with different gradient rates under cyclic loading. It is found that the concave gradient rate structural model is dominated by finer grains with larger volume fraction, which is conducive to hindering fatigue crack propagation and has the longest fatigue life; the linear structure is the second one, and the convex structure is the shortest one. The simulation results in this work are consistent with the relevant experimental phenomena. Therefore, when regulating the gradient rate, priority should be given to increasing the volume fraction of fine grains and designing a gradient rate structure dominated by fine grains to improve the fatigue life of the material.

A microwave technique prepared a superabsorbent polymer (SAP) by grafting two hydrophilic monomers onto a polysaccharide substrate. The monomers used are acrylic acid (AA) or acrylamide (AM) to graft onto a pullulan substrate (PUL) to form PUL-g- AA (SAP1) and PUL-g- AM (SAP2), respectively. The monomers (AM/AA) graft together onto a PUL substrate to form PUL-g-(AM/AA) (SAP3). Grafting parameters such as grafting efficiency with percentage, conversion of monomer to polymer, gel content, water retention, water adsorption capacity, and swelling kinetics were determined. Additionally, the effect of environmental pH (2, 4, 7, 9, and 12) and sodium dodecylbenzene sulfonate (SDBS) surfactant was evaluated, where SDBS was added by 1,2,3,4 and 5 mM to form (SAP4 to SAP8). FTIR results show that AM grafted on PUL through an aliphatic C-N bond, while AA grafting occurred through a single C-C bond. The grafting efficiency with AM is higher than with AA, as well as their gel contents. Water absorbance capacity increased with grafting of AA or AM separately, and water retention was enhanced. The highest absorbent capacity, water retention, gel content, and grafting parameters values were obtained with 3 mM SDBS content and pH7. The swelling kinetics showed that the increases in the theoretical and experimental swelling equilibriums were 72 % and 82%, respectively, at SAP6 compared to the values of these parameters in SAP3. The water absorption capacity of the hydrogel increases with increasing pH to 7 and then gradually decreases. XRD improves the crystallinity and crystalline size of the hydrogel after grafting polymerization for AM/AA into PUL, in addition to enhancing thermal stability. On the contrary, FE-SEM demonstrated that SDBS improves the porosity and pore size of the hydrogel surface in SAP6.

An asymmetric [3+2] cycloaddition of azomethine ylides generated from the corresponding imino esters to trans-β-nitrostyrene catalyzed by chiral aziridine-containing phosphines and phosphine oxides is described. Of the sixteen stereoisomers that could be formed as a result of the title reac-tion, three were formed, two of which were obtained in an enantiomerically enriched or pure form, and one in a racemic form. One of the products underwent epimerization under basic reaction conditions.

New advances in creating effective and affordable copper-based catalysts for water splitting represent a promising strategy for driving sustainable energy technologies. However, ma- terials containing copper are susceptible to corrosion and agglomeration. In this study, we describe a synthesis route to produce olamine-functionalized CuO nanoparticles using the Hot Injection method. Nanoparticles were obtained and subsequently deposited on FTO substrates, undergoing thermal treatment at 500°C and 600°C in atmospheres containing O2 and N2, aiming to enhance the adhesion of the active material to the substrate and modify its oxidation state. Microstructural properties were analyzed using XRD, SEM, and TEM, while electrochemical properties were studied using CV, LSV, and EIS. Electrodes treated thermally in an N2 atmosphere at 600°C exhibited higher ESCA, indicating a greater area of active sites exposed to surface reactions and, therefore, superior catalytic activity in Hy- drogen Evolution Reaction (HER). These findings show an interesting strategy for avoiding rapid electron-hole recombination and, consequently, CuO corrosion. For Oxygen Evolution Reaction (OER), samples treated thermally in O2 atmosphere at 500°C and 600°C appear to be more effective.

A flexible asymmetric supercapacitor (ASCs) is successfully developed by using the composite of MoO3 and graphene oxide (GO) electrochemically deposited on carbon cloth (CC) (MoO3/rGO/CC) as the negative electrode, the MnO2 deposited on CC (MnO2/CC) as the positive electrode and Na2SO4/polyvinyl alcohol (PVA) as gel electrolyte. The results show that the introduction of GO layer can remarkably increase the specific capacitance of MoO3 from 282.7 F g-1 to 341.0 F g-1. Furthermore, the combination of such good electrode materials and a neutral gel electrolyte renders the fabrication of high-performance ASC with a large operating potential difference of 1.6 V in 0.5 mol L-1 Na2SO4 solution of water. Furthermore, the ASCs exhibit excellent cycle ability and the capacitance can maintain 87 % of its initial value after 6000 cycles. The fact that a light-emitting diode can be lighted up by the ASCs indicates the device’s potential applications as energy storage devices. The encouraging results demonstrate a promising application of the composite of MoO3 and GO in energy storage devices.

Thermal expansion of four alkaline-earth borates, namely Ca3B2O6 (0D), CaB2O4 (1D), Sr3B14O24 (2D) and CaB4O7 (3D), have been studied by in situ high-temperature powder X-ray diffraction (HTXRD). Strong anisotropy of thermal expansion is observed for the structures of Ca3B2O6 (0D) and CaB2O4 (1D) built up from BO3 triangles only: these borates exhibit the maximal expansion perpendicular to the BO3 plane, i.e. along the direction of weaker bonding in the crystal structure. Layered Sr3B14O24 (2D) and framework CaB4O7 (3D) built up from various B-O groups expand less anisotropically. Thermal properties of the studied compounds compared to the other alka-line-earth borates are summarized depending on the selected structural characteristics like anion dimensionality, residual charge per one polyhedron (BO3 BO4), cationic size, and structural com-plexity. For the first time these dependencies were established as an average for both types of polyhedra (triangle and tetrahedron) occurring in the same structure at the same time. The most common trends were identified for : (i) Melting temperature decreases as the dimensionality of the borate polyanion, and more precisely, as the residual charge per one polyhedron (triangle or tetrahedron) decreases; (ii) volumetric expansion decreases while the degree of anisotropy in-creases weakly when the residual charge decreases; (iii)both trends (i) and (ii) are most steady within borates built by the triangles only, while the borates built by both triangles and tetrahedra show a larger scatter in values.

Recently, polyacetylene (PA) and polyenes (polyvinylenes) are receiving renewed scientific attention due to their unique physical properties potentially useful also for a number of non-electrical applications (e.g., hydrogen storage, drug delivery, adsorbent of organic compounds in aqueous systems, gas and liquid separation, oxygen absorbent in gas analysis, etc.). These chemical compounds can be obtained in form of a polyacetylene-PVOH copolymers simply by chemical dehydration of poly(vinyl alcohol) (PVOH), which is a very common type of polymer, widely used in different technological areas. This very inexpensive chemical reaction for the large-scale synthesis of PA/polyvinylenes has been investigated by reacting PVOH with fuming sulfuric acid at room temperature. In this process, PVOH, shaped in form of film, is dipped in fuming sulfuric acid (i.e., H₂SO₄ at 95-97%) and, after complete chemical-dehydration, it has been mechanically removed from the liquid phase by using a nylon sieve. The reduction process leads to a substantial PVOH film conversion to PA as it has been proved by infrared spectroscopy (ATR-mode). Indeed, the ATR spectrum of the reaction product included all characteristic absorption bands of PA. The reaction product has been also characterized by differential scanning calorimetry (DSC) and absorption optical spectroscopy (UV-Vis) in order to evidence respectively its solid-state thermal isomerization (cis-PA conversion to trans-PA) and presence in the structure of conjugated carbon-carbon double bonds of various extensions.

(S)-1-Methyl-2-oxoimidazolidine-4-carboxylic acid 1 is an analog of (S)-pyroglutamic acid, a key component of naturally occurring peptide hormones and synthetic pharmaceutical candidates. Reaction of (S)-2-amino-3-(methylamino)propionic acid with COCl2 and aqueous NaHCO3 followed by ion exchange afforded 1, which was recrystallized from acetonitrile and then characterized by IR, 1H NMR, 13C NMR, polarimetry, elemental microanalysis, high resolution mass spectrometry and single crystal X-ray diffraction. The acid 1 crystallized in the orthorhombic chiral space group P212121 with cell constants a = 6.2275(4) Å, b = 8.3963(5) Å, c = 24.9490(14) Å. The X-ray crystal structure reveals that two distinct conformers of 1 occur at alternating positions within helices which are supported by hydrogen-bonding. Each molecule of 1 is linked to its two neighbors in the helix by a total of three hydrogen bonds and four molecules of 1 are contained within each turn of the helix. The pattern of hydrogen bonds illustrates a preference for the carboxylic acid group to act as a hydrogen bond donor and for the urea unit to be a hydrogen bond acceptor.

This study aimed to investigate the impact of incorporating indium tin oxide (ITO) nan particles (NPs) with zinc oxide (ZnO) NPs into flexible dye-sensitized solar cells (FDSSCs). ZnO and ITO NPs were separately prepared using the sol-gel method, followed by hybridization of ZnO NP/ITO NP and characterization using techniques such as TEM, SEM, XRD, UV-Vis spectros-copy, PL spectroscopy and cyclic voltammetry (CV). TEM analysis showed hexagonal struc-tures and small sphere-like nanoparticles with mean diameters of 15.22 ± 11 nm for ZnO NPs and 14.54 ± 16 nm for ZnO NPs/ITO NPs. SEM images revealed uniform dispersion and smooth surface morphology, while XRD confirmed the crystalline nature of both ZnO and hybrid NPs, indicating specific crystallographic planes with consistent sizes. UV-Vis spectroscopy demonstrated a redshift in wavelength upon adding ITO NPs, suggesting an impact on the bandgap of ZnO NPs. PL spectra exhibited a broad visible emission peak at 535 nm. These findings enhance our understanding of the optical behavior and interaction between ITO and ZnO NPs in hybrid nanostructures. The study concluded that the ITO NPs improve FDSSC performance by enhancing charge separation and transport, leading to increased photocurrent production, with the characterization techniques providing valuable insights for future research and applications.

Background: Citicola tubulosa (CT) is a traditional Chinese medicine that has been found to have hepatoprotective effect，but the underlying mechanisms against acute alcoholic liver injury (ALI) remain unclear. Objective：This work aims to predict the molecular mechanisms of CT in treating ALI using network pharmacology and molecular docking. Methods: Targets of CT and ALI were screened and collected from TCMSP, Genecard, OMIM and other databases. The effective ingredient target network was constructed using Cytoscape platform. The core targets were obtained by constructing protein interaction network. The biological processes and pathways of CT were analyzed using the DAVID platform. The effective components of CT were docked with core targets using AutoDock software, and visualized by PyMOL software. Results: There were seven main active components, 89 drug targets, 6291 disease targets and 32 pathways. The top three docking results were hydrogen bonding between stigmasterol and EGFR, β⁃ sitosterol and ALB, stigmasterol and BCL2. Conclusion: The effective components of CT (e.g., quercetin, stigmasterol, crocetin) may regulate core targets via multiple pathways to alleviate ALI. The use of network pharmacology and molecular docking technology can aid in revealing effective components and underlying molecular mechanisms of CT.

The growing demand for phycobiliproteins from microalgae generates a significant volume of by-products, such as extraction cakes. These cakes are enriched with products of interest for the cosmetic market, namely free fatty acids, particularly polyunsaturated (PUFA). In this work, two cakes, one of spirulina and one of Porphyridium cruentum, were valorized using innovative natural hydrophobic deep eutectic solvents (NaDES) based on alkanediols. The most promising NaDES, as determined by physicochemical properties and screening, are mixtures of alkanediol and fatty acid. These include the mixture of 1,3-propanediol and octanoic acid (1:5, mol/mol) and 1,3-propanediol and octanoic and decanoic acid (1:3:1, mol/mol). Two extractive processes were implemented: ul-trasound-assisted extraction and an innovative mechanical process by dual asymmetric centrifu-gation. The second process resulted in the production of extracts significantly enriched in PUFA, ranging from 65 to 220 mg/g dry matter with the two cakes. The extracts and NaDES demonstrated good safety with respect to epidermal keratinocyte viability. The study of their impact on com-mensal and pathogenic cutaneous bacteria demonstrated significant effects on viability of Staphy-lococcus aureus and Staphylococcus epidermidis while preserving Corynebacterium xerosis and Cuti-bacterium acnes. These results highlight the potential of valorizing these co-products using al-kanediol-based NaDES, in a strategy combining an active vector (NaDES) and a growth regulator extract, for the management of cutaneous dysbiosis involving staphylococci.

The use of chemical pesticides in agriculture contributes to soil, water and air pollution, biodiversity loss and can harm non-target species. The European Commission has already established a Harmonized Risk Indicator to quantify the progress in reducing the risks linked to pesticides. Therefore, there is an increasing need to promote biopesticides or so-called low-risk pesticides (LRP). Extract from Melaleuca alternifolia – tea tree oil (TTO) is known for its antiseptic, antimicrobial, antiviral, antifungal, and anti-inflammatory properties. Tea tree oil has been extensively studied in pest management as well as in the pharmaceutical and cosmetic industry and there are already products based on its active substances on the market. This review focuses on the overall evaluation of tea tree oil in terms of effectiveness and safety as a biopesticide for the first time. The collected data can be an added value for further evaluation of tea tree oil in terms of the authorization extension as a fungicide in 2026.

Climate change, increasing global food needs, and decreasing global resources brought a new era to human every-day live with a strong turn to circular economy and sustainability. Food packaging and preservation is an important global sector where enchanced research is carried out. New methods such as active packaging and chemical preservatives replacement are of major interest. Many researchers were published studies about active packaging films, replacement of chemical preservatives with natural originated extracts, and novel incorporation procedures. Sequentially to our and other scientists’ previous work, in this paper we present the results of the improvement which was achieved by incorporating the developed nanohybrid of natural-halloysite/carvacrol-extract, the pure natural carvacrol extract and the commonly used low-density-polyethylene. The well known corona-treatment procedure was employed to produced the optimum final film and the results shown that the low-density-polyethylene incorporated with natural-halloysite/carvacrol-extract nanohybrid and coated external with extra carvacrol extract exhibited aproximatelly 100% higher Young-Modulus values, slightly decreased ultimate strength by 20%, and almost stable elonation at break properties. The water-vapor and oxygen barrier increased by 40%. Finally, the antioxidant activity of the corrona-treated film increased by 28% compared to the similar but untreated product because of the lower release rate of the carvacrol.

Selenium is one of the inorganic compounds in human and animal nutrition and is involved in the proper functioning of the body. As a micronutrient, it actively contributes to the regulation of various metabolic activities, i.e., thyroid hormone, and protection against oxidative stress and cancer. Selenium anion also plays an essential role in the mechanism of immunity to viral infec-tions. However, this element can also be hazardous, especially in high concentrations. The toxicity of selenium is strongly associated with its chemical form. Se exhibits a narrow concentration window from having a positive to exerting a toxic effect. The daily uptake for humans is in the range of 55-400 µg/day. In higher doses (of the order of 900-1000 µg/day), it negatively affects the human body and causes DNA damage through the formation of free radicals. Increased reactivity of Se anion can also disrupt the integrity and function of DNA-repairing proteins. As the permis-sible concentration of Se in drinking water is 10 µg/L, it is vital to develop sensitive and robust methods of Se detection in aqueous samples.

Natural cytokinins are a promising group of cytoprotective and anti-tumor agents. In this research, we synthesized a set of novel cytokinin analogs with alkyl substituents at various positions of the aromatic moiety, as well as with oxygen-containing groups, and tested their antiproliferative activity in MDA-MB-231, A-375, and U-87 MG cell lines, and cytoprotective properties in H2O2 and CoCl2 models. Two amino-linked compounds were anti-proliferative with the ability to act synergistically with doxorubicin, and two carbamate-based ones were cytoprotective. According to the molecular docking data, anti-proliferation was based on the A2AR and APRT inhibition and cytoprotection on the CDK2 inhibition. The obtained results are promising for the development of novel anti-cancer therapeutics.

This review deals with the functionalization of double bonds carried out in the presence of a chiral catalyst exploiting the intramolecular attack to haliranium ions by nucleophilic nitrogen of amides or carbamates prepared from achiral aminoalkenes, and the C-N bonds formation leads to highly enantioenriched non-aromatic heterocycles. A range of protocols are reported, emphasizing the synthesis of many natural and biologically active products of pharmacological interest prepared according to this methodology.

The green synthesis of metallic nanoparticles is an emerging and promising field owing to its environmentally friendly nature and diverse applications. In this article, a new technology for the green synthesis of functional ultrastable biopolymer gold nanoparticles is introduced. This approach employs thiolated single-stranded DNA (ssDNA-SH) aptamers instead of conventional self-assembled monolayers, resulting in the production of highly stable aptamer-tagged gold-core-shell nanoparticles. A comprehensive discussion on the use of glucose as a simple reducing agent for the green synthesis of Au nanoparticles and the utilization of ssDNA-SH aptamers as smart and biologically functional capping agents is provided. The potential of this innovative approach for the green synthesis of nanoparticles is demonstrated through a case study involving the use of the naked eye for qualitative detection of human fungal infections caused by Candida albicans for women's health.

This paper presents the work done to transition the lab scale synthesis (1 g) to a large scale (400 g) synthesis of the 3-5-diamino-1H-Pyrazole Disperazol; a new pharmaceutical for treatment of antibiotic resistant Pseudomonas aeruginosa biofilm infections. The potentially hazardous diazotisation step in the lab scale synthesis was transformed to a safe and easy to handle flow chemistry step. Additionally, the paper presents an OSHA recommended safety assessment of the active compound E, performed by Fauske and Associates, LLC.

Detecting volatile organic compounds (VOCs) emitted from different plant species and their or-gans can provide valuable information about plant health and environmental factors that affect them. For example, limonene emission can be a biomarker to monitor plant health and detect stress. Traditional methods for VOC detection encounter challenges, prompting the proposal of novel approaches. In this study, we proposed integrating electrospinning, molecular imprinting, and conductive nanofibers to fabricate limonene sensors. In detail, polyvinylpyrrolidone (PVP) and polyacrylic acid (PAA) served here as fiber and cavity formers, respectively, with multi-walled carbon nanotubes (MWCNT) enhancing conductivity. We developed one-step monolithic molecularly imprinted fibers, where S(-)-limonene was the target molecule using electrospinning technique. The functional cavities were fixed using UV curing method, followed by a target mol-ecule washing. This procedure enabled the creation of recognition sites for limonene within the nanofiber matrix, enhancing sensor performance and streamlining manufacturing. Humidity was crucial for sensor working, with optimal conditions at about 50% RH. The sensors rapidly re-sponded to S(-)-limonene, reaching a plateau within 200 seconds. Enhancing fiber density im-proved sensor performance, resulting in a lower limit of detection (LOD) of 137 ppb. However, excessive fiber density decreased accessibility to active sites, thus reducing sensitivity. Remarka-bly, the thinnest mat on the fibrous sensors created provided the highest selectivity to limonene (Selectivity Index: 72%) compared to other VOCs, such as EtOH (used as a solvent in nanofiber development), aromatic compounds (toluene), and two other monoterpenes (α-pinene and linalo-ol) with similar structure. These findings underscored the potential of the proposed integrated approach for selective VOC detection in applications such as precision agriculture and environ-mental monitoring.

The thermal surface properties of graphenes and carbon materials are of crucial importance in chemistry of materials, chemical engineering, and many industrial processes. (1) Background: The determination of these surface properties is carried out using inverse gas chromatography at infinite dilution which leads to the retention volume of organic solvents adsorbed on solid surfaces. This experimental and fundamental parameter actually reflects the surface thermodynamic interactions between injected probes and solid substrates. (2) Methods: The London dispersion equation and the Hamieh thermal model were used to quantify the London dispersive and polar surface energy of graphenes and carbon fibers as well their Lewis acid-base constants by introducing the coupling amphoteric constant of materials. (3) Results: The London dispersive and polar acid-base surface energies, the free energy of adsorption, the polar enthalpy and entropy, and the Lewis acid-base constants of graphenes and carbon materials were determined. (4) Conclusions: it was showed that graphene exhibited the highest values of London dispersive surface energy, polar surface energy, and Lewis’s acid-base constants. These highest characteristics of graphene justify its great potentiality and uses in many industrial applications.

Numerous study reports on chitosan hydrogels in different forms such as films, porous structures, nanoparticles, and microspheres for biomedical applications, however, this study concentrates on their modifications with different crosslinking agents and observing their effects on drug loading and releasing capacities. Linear chitosan along with crosslinked by two major cross-linkers, i.e., genipin and disulfide have been used to formulate three different hydrogel systems. The cross-linking process is heavily impacted by the temperature and the pH conditions. Three different drugs, i.e., thymoquinone, gefitinib, and erlotinib are loaded in phosphate buffer solutions and infused with three different hydrogel systems, thus, a total of nine combinations are studied and analyzed for drug loading and releasing capabilities with Ultraviolet–visible (UV-Vis) spectroscopy. This study finds thymoquinone shows the lowest loading efficacy compared to two other drugs in all three systems. Gefitinib shows stable loading and releasing regardless of crosslinking systems and genipin crosslinked system shows stable loading and releasing with all three drug molecules. These experimental results agree well with the findings of our previously published results conducted with molecular dynamics simulations.

A predictive approach to the phase behavior of four-component poly-mer-water-surfactant-electrolyte systems is formulated, by viewing the four-component system as a binary polymer-pseudosolvent system, with the pseudosolvent representing water, surfactant, and the electrolyte. The phase stability of this binary system is examined using the framework of the lattice fluid model of Sanchez and Lacombe. In the lattice fluid model, a pure component is represented by three equation of state parameters, the hard-core volume of a lattice site ( ), the number of lattice sites occupied by the component (r) and its characteristic energy ( ). We in-troduce the extra thermodynamic postulate that r and for the pseudosolvent are the same as for water and all surfactant-electrolyte composition dependent characteristics of the pseudosolvent can be represented solely through its characteristic energy parameter. The key implication of the postulate is that the phase behavior of polymer-pseudosolvent systems will be identical for all pseudosolvents with equal values of the characteristic energy, despite their varying real compo-sitions. Based on the pseudosolvent model, illustrative phase diagrams have been computed for several four-component systems containing alkyl sulfonate/sulfate surfactants, electrolytes and anionic or nonionic polymers. The pseudosolvent model is shown to describe all important trends in experimentally observed phase behavior, pertaining to polymer and surfactant molecular characteristics. Most importantly, the pseudosolvent model allows one to construct a priori phase diagrams for any polymer-surfactant-electrolyte system, knowing just one experimental com-position data for a system at the phase boundary, using available thermodynamic data on sur-factants and electrolytes and without requiring any information on the polymer.

This paper addresses the capability to alter the wettability characteristics of poly(vinyl alcohol) (PVA) polymer films doped with glycerol. Films of PVA and glycerol-choline chloride (GCC) blends have been prepared by solution casting method with different glycerol dopants ranging from 0% to 10% (wt %). The results show that as the dopant content increases from 0% to 10%, the wettability increases and hence increases the surface energy of the solid film. The wettability changes are observed by identifying the contact angle of 10 µL deionized water droplet which altered from 55o to 28o as dopant content changed from 0% to 10% per PVA solution weight. The results show that the roughness of film surfaces increases as the content of dopant (GCC) increases in the film which indicates that roughness has a strong influence on the wettability of the casted films.

Membranes are a selective barrier that allows certain species (molecules and ions) to pass through while blocking others. Some rely on size exclusion, where larger molecules get stuck while smaller ones permeate through. Others use differences in charge or polarity to attract and repel specific species. Membranes can be used to purify air and water by allowing only air and water molecules to pass through but preventing contaminants such as microorganisms and particles or to separate target gas or vapor, such as H2, CO₂, from other gases. The higher the flux and selectivity, the better a material is for membranes. The desirable performance can be tuned through material type (polymers, ceramics, and biobased materials), microstructure (porosity and tortuosity), and surface chemistry. Most membranes are made from plastic from petroleum-based resources, which contribute to global climate change and plastic pollution. Cellulose can be an alternative sustainable resource to make renewable membranes. Cellulose exists in plant cell walls as natural fibers, which can be broken down into smaller components such as cellulose fibrils, nanofibrils, nanocrystals, and cellulose macromolecules through mechanical and chemical processing. Membranes made from reassembling these particles and molecules have variable pore architecture, porosity, and separation properties and therefore have a wide range of applications in nano-, micro-, and ultrafiltration or forward osmosis. Despite their advantages, cellulose membranes face some challenges. Improving the selectivity of membranes for specific molecules often comes at the expense of permeability. The stability of cellulose membranes in harsh environments or under continuous operation needs further improvement. Research is ongoing to address these challenges and develop advanced cellulose membranes with enhanced performance. This article reviews the microstructure, fabrication methods, and potential applications of cellulose membranes, providing some critical insights into processing-structure-property relationships for current state-of-the-art cellulosic membranes that could be used to rationally improve their performance.

Hydrogen gas (H2) has attracted attention as a next-generation clean energy source. Its efficient and safe preparation and utilization are crucial in both industry and organic chemistry. In this study, a Pt/CB-catalyzed MW-mediated continuous-flow hydrogenation reaction was developed using methylcyclohexane (MCH) as the reducing agent (hydrogen carrier). Alkynes, alkenes, nitro groups, benzyl esters, and aromatic chlorides were chemoselectively hydrogenated using Pt/CB under MW-assisted continuous-flow conditions. This methodology represents a safe and energy-efficient hydrogenation process, as it eliminates the need for an external hydrogen gas supply or heating jackets as a heat medium. Further application of MW-mediated continuous-flow hydrogenation reactions is a viable method for the efficient generation and utilization of sustainable energy.

The principal function of science education is to introduce students to core scientific concepts and practices; nevertheless, it is now impossible, in such a complex world, to neglect the ethical issues involved. Placing school science in a broader context motivates students and equips them with valuable critical skills. A meaningful example was from palm oil production and pervasive use worldwide: plantations result in major deforestation occurring in species-rich tropical regions, making the palm oil issue global in scope and highly critical for several aspects related to sustainability. This paper reports a sequence of didactic activities starting from palm oil chemistry, gradually extended initially by a multidisciplinary approach, then by interdisciplinary-systemic maps and, ultimately, through a holistic vision - involving anthropological and cultural considerations about indigenous people of deforested territories. This progressive broadening corresponds to an ever-greater penetration into the personal sphere, a condition for a real ethical consciousness. The increased students’ awareness was tested by qualitative considerations, supporting the teaching dimension more than the learning one. Contrary to disciplinary contents, the emergence of moral feelings cannot be measured but only perceived. Therefore, chemistry provides key concepts essential for global competences development in order to deal with sustainability issues with an increased ethical awareness.

Yttria stabilized zirconia materials are frequently used in mechanical engineering and biomedical applications. Demanding loading conditions require materials combining a high level of strength and fracture toughness. A ready to press alumina doped 2 mol% yttria stabilized zirconia powder was shaped by axial pressing and sintering in air at 1250 - 1500 °C for 2 h. The best combination of strength and toughness value of 7.8 MPa√m. Materials sintered in the middle of the chosen temperature range combine fully density, high transformability and small grain size. Toughness measurements by direct crack length measurements delivered unrealistically high fracture toughness values.

Biosynthesis of C-dots using black mulberry fruit as a precursor for C-dot synthesis is a novel approach. We successfully synthesized C-dots from the fruit extract by employing a hydrothermal autoclave. This green synthesis method offers a sustainable and environmentally friendly route for C-dot production. Our results demonstrate the efficient degradation of pollutants under visible light irradiation, indicating the strong photocatalytic activity of the C-dots. This finding has implications for environmental remediation and the elimination of harmful substances, showcasing the potential practical applications of C-dots in addressing water contamination issues. We made an effort to identify the optimum doping concentration of C-dots and found that 0.2 mol% was the sweet spot. At this concentration, the photodegradation of pollutants reached an impressive 95.8%. The enhanced photocatalytic activity can be attributed to increased electron trapping due to more surface sites and different absorption wavelengths. This work contributes to the synthesis of carbon dots using black mulberry fruits as a sustainable precursor, as well as the comprehensive analysis of their optical and photocatalytic properties.

Resistance to the existing drugs and increasing numbers of diseases result in identifying new drug candidates with new forms of activity. Marine sources of alkylglycerols such as the liver oil Shark (SLO) mixture of certain species or rat fish (elasmobranch fishes) contain high levels of these compounds as a mixture of few species varying by length and unsaturation or saturation of the alkyl chain. They have multiple biological activities such as hematopoiesis stimulation, lowering radiotherapy-induced injuries, reducing tumor growth and improving vaccination efficiency. The synthesis of two Alkylglycerols (AKGs) containing at least one alkyne moiety in the alkyl chain has been reported. In this work, we describe the synthesis of others unknown AKGs based alkyne 1-O-(hexadec-11’-ynyl)-sn-glycerol 4 and 1-O-(octadec-9’-ynyl)-sn-glycerol 5 as analogues of bioactive ether lipids found in the SLO mixture.

New advances in creating effective and affordable copper-based catalysts for water splitting represent a promising strategy for driving sustainable energy technologies. However, ma- terials containing copper are susceptible to corrosion and agglomeration. In this study, we describe a synthesis route to produce olamine-functionalized CuO nanoparticles using the Hot Injection method. Nanoparticles were obtained and subsequently deposited on FTO substrates, undergoing thermal treatment at 500°C and 600°C in atmospheres containing O2 and N2, aiming to enhance the adhesion of the active material to the substrate and modify its oxidation state. Microstructural properties were analyzed using XRD, SEM, and TEM, while electrochemical properties were studied using CV, LSV, and EIS. Electrodes treated thermally in an N2 atmosphere at 600°C exhibited higher ESCA, indicating a greater area of active sites exposed to surface reactions and, therefore, superior catalytic activity in Hy- drogen Evolution Reaction (HER). These findings show an interesting strategy for avoiding rapid electron-hole recombination and, consequently, CuO corrosion. For Oxygen Evolution Reaction (OER), samples treated thermally in O2 atmosphere at 500°C and 600°C appear to be more effective.

Vinyltriethoxysilane (VTES) was covalently bonded onto graphene oxide. Several methods, including X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, and X-ray diffraction, were used to demonstrate the presence of VTES on the surface of graphene oxide and the creation of this covalent link. Following that, different quantities of the resultant vinyltriethoxysilane functionalized graphene oxide (VTESFGO) were mixed with polyvinyl alcohol (PVA) to form VTESFGO/PVA nanocomposite films (NCFs) with a 3-dimensional network structure. The creation of these NCFs and the presence of a three-dimensional network were confirmed by Fourier transform infrared spectroscopy. The three-dimensional network structure provided these NCFs extraordinary characteristics. The mechanical and thermal stability, oxygen transfer rate (OTR), and water resistance pressure (WRP) of the NCFs were investigated. The nanocomposite film (NCF) with the highest weight percentage of VTESFGO (3.0 wt.%) was 47.5% more thermally stable than pure PVA, with an oxygen transmission rate of 0.3 cm3/m2 per day and a water resistance pressure of 780 mm/cm2. However, as the weight percentage of VTESFGO increased, the mechanical strength of the NCFs decreased as a result of silanol self-condensation, resulting in particulate formation, as confirmed by scanning electron microscopy.

Fluidized beds are pivotal in the process industry and chemical engineering, with Computational Fluid Dynamics (CFD) playing a crucial role in their design and optimization. Challenges in CFD modeling stem from the scarcity or inconsistency of experimental data for validation, along with the uncertainties introduced by numerous parameters and assumptions across different CFD codes. This study navigates these complexities by comparing simulation results from the open-source MFIX and OpenFOAM, and the commercial ANSYS FLUENT, against experimental data. Utilizing a Eulerian-Eulerian framework and the kinetic theory of granular flow (KTGF), the investigation focuses on solid-phase properties through the classical drag laws of Gidaspow and Syamlal-O’Brien across varied parameters. Findings indicate that ANSYS Fluent, MFiX, and OpenFOAM can achieve reasonable agreement with experimental benchmarks, each showcasing distinct strengths and weaknesses. The study also emphasizes that both the Syamlal-O’Brien and Gidaspow drag models exhibit reasonable agreement with experimental benchmarks across the examined CFD codes, suggesting a moderated sensitivity to the choice of drag model. Moreover, the analysis were also carried out for 2D and 3D simulations, revealing that the dimensional approach impacts the predictive accuracy to a certain extent, with both models adapting well to the complexities of each simulation environment. The study highlights the significant influence of restitution coefficients on bed expansion due to their effect on particle-particle collisions, with a value of 0.9 deemed optimal for balancing simulation accuracy and computational efficiency. Conversely, the specularity coefficient, impacting particle-wall interactions, exhibits a more subtle effect on bed dynamics. This finding emphasizes the critical role of carefully choosing these coefficients to effectively simulate the nuanced behaviors of fluidized beds.

We have investigated the influence of the relative proportions of glass formers in a series of lithium alumino-borosilicate glasses with respect to electrical conductivity () and glass transition temperature (Tg) as functions of glass structure, as determined by Raman spectroscopy. The ternary lithium alumino-borate glass exhibits the highest  and lowest Tg among all the compositions of the glass series, 30Li2O•3Al2O3• (67-x) B2O3•xSiO2. However, as B2O3 is replaced by SiO2, a shallow minimum in  as well as a shallow maximum in Tg are observed near x = 27, where the Raman spectra indicate isolated diborate/tetraborate/orthoborate groups are being progressively replaced by danburite/reedmergnerite-like borosilicate network units. Overall, as the glasses become silica-rich,  is minimized, while Tg is maximized. In general, these findings show correlations among Tg, (sensitive to network polymerization),  (proportional to ionic mobility), and the different borate and silicate glass structural units as determined by Raman spectroscopy. X-ray diffraction analyses demonstrate the absence of appreciable crystallinity in the glasses investigated. However, scanning electron microscopy (SEM) images of HF-etched samples showed that glasses, and especially the borate-rich compositions comprise two distinct glassy phases. The isolated phase is 25-100 nm in diameter, dispersed evenly in a glassy matrix.

The electronic properties of calcium intercalated graphite (CaC6) as a function of pressure are revisited using density functional theory (DFT). The electronic band structures of CaC6, like many other layered superconducting materials, display cosine-shaped bands at or near the Fermi level (FL). Such bands encompass bonding/antibonding information with a strong connection to superconducting properties. Using an hexagonal cell representation for CaC6, construction of a double supercell in the c-direction effects six-folding in reciprocal space of the full cosine function, explicitly revealing the bonding/antibonding relationship divide at the cosine midpoint. Similarly, folding of the Fermi surface (FS) reveals physical phenomena relevant to electronic topological transitions (ETT) with application of pressure. For CaC6, the peak value for the superconducting transition temperature, Tc, occurs at about 7.5 GPa, near to the observed pressure of the calculated ETT. At this pressure, the radius of the nearly spherical Ca 4s-orbital FS coincides with three times the distance from the G centre point to the Brillouin zone (BZ) boundary of the 2c supercell (which is equal to half the identically defined distance for the primitive rhombohedral BZ). In addition, the ETT coincides with alignment of the non-bonding (inflection) point of the cosine band (the point at which the sign of the cosine amplitude modulation is reversed) with the FL. At other calculated pressure conditions, the Ca 4s-orbital FS undergoes topological changes that correspond and can be correlated to experimentally determined changes in Tc. The ETT is a key mechanism that circumscribes the known significant drop in Tc for CaC6 as a function of increasing pressure.

The present article describes the synthesis of an isonicotinate-derived meso-arylporphyrin, that has been fully characterized by spectroscopic methods (including fluorescence spectroscopy), as well as by elemental analysis and by HR-MS. The structure of a n-hexane monosolvate has been determined by single crystal X-ray diffraction analysis. The radical scavenging activity of this new porphyrin against the 2,2-diphenyl-1-picrylhydrazyl (DDPH) radical has been measured. Its antifungal activity against three yeast strains (C. albicans ATCC 90028, C. glabrata ATCC 64677 and C. tropicalis ATCC 64677) has been tested, using the disk diffusion and the microdilution methods. Whereas the measured antioxidant activity was low, the porphyrin showed moderate but encouraging antifungal activity. Finally, a study of its effect on the germination of lentil seeds revealed interesting allelopathic properties.

Molecular transport and quantum tunneling of H2 and H2O molecules through nanoporous gra-phene is studied using computational modeling and first principles density functional theory. It is demonstrated that molecules with sufficiently high kinetic energies can tunnel through the na-nopores. It is also demonstrated that molecules can be trapped in front of the nanopore or behind it. These investigations help us learn the behavior of molecules in and around nanopores of gra-phene. They also help us learn fundamentals of molecular tunneling. We believe, nanoporous gra-phene can play important roles for gas separation and nanofiltration.

Alkaloid-based urea derivatives were produced with high yield through the reaction of anabasine and cytisine with isoxazolylphenylcarbamates in boiling benzene. Their antitumor ac-tivity in combination with the commonly used six anticancer drugs namely cyclophosphane, fluorouracil, etoposide, cysplatine, ribomustine with different mechanisms of action was investi-gated. Based on the quantum chemical calculations data and molecular docking, hypotheses have been put forward to explain their mutual influence when affecting on the С6 rat glioma model cells.

This contribution attempts to provide a state-of-the-art account on the physicochemical and biomedical properties of plasma-sprayed hydroxylapatite (HAp) coatings that are routinely applied to the surfaces of metallic endoprosthetic and dental root implants, designed to replace or restore lost functions of diseased or damaged tissues of the human body. Even though the residence time of powder particles of HAp in the plasma jet is extremely short, the high temperature applied introduces compositional and structural changes of the precursor hydroxylapatite that severely affect its chemical and physical properties and in turn, its biomedical performance. These changes are based on the incongruent melting behaviour of HAp and can be traced, among many other analytical techniques, by high-resolution synchrotron X-ray diffraction, vibrational (Raman), and nuclear magnetic resonance (NMR) spectroscopies. In vivo reactions of the plasma-sprayed coatings with extracellular fluid (ECF) can be assessed and predicted by in vitro testing using simulated body fluids as proxy agents. Ways are being discussed to safeguard appropriate biological performance of hydroxylapatite coatings in long-term service by controlling their phase content, porosity, surface roughness, residual stress distribution, and adhesion to the implant surface.

The green synthesis of metallic nanoparticles is an emerging and promising field owing to its environmentally friendly nature and diverse applications. In this article, a new technology for the green synthesis of functional ultrastable biopolymer gold nanoparticles is introduced. This approach employs thiolated single-stranded DNA (ssDNA-SH) aptamers instead of conventional self-assembled monolayers, resulting in the production of highly stable aptamer-tagged gold-core-shell nanoparticles. A comprehensive discussion on the use of glucose as a simple reducing agent for the green synthesis of Au nanoparticles and the utilization of ssDNA-SH aptamers as smart and biologically functional capping agents is provided. The potential of this innovative approach for the green synthesis of nanoparticles is demonstrated through a case study involving the use of the naked eye for qualitative detection of human fungal infections caused by Candida albicans for women's health.

Taking into consideration the arising resistance towards the currently available antimycobacterial, there is still an unmet need for the development of new chemotherapeutic agents to combat the infectious agent. This study presents the X-ray single-crystal analysis to verify the structure of leading sulfonyl hydrazone 3b, which have proven their potent antimycobacterial activity against Mycobacterium tuberculosis H37Rv with MIC value of 0.0716 μM, respectively, low cytotoxicity and very high selectivity indexes (SI=2216) and fully characterized by NMR and HRMS methods. Furthermore, this study assessed the ex vivo antioxidant activity, acute and subacute toxicity, and in vitro inhibition capacity against enoyl-ACP reductase of hydrazones 3a and 3b, as 3a was identified as the second leading compound in our previous research. Compared to isoniazid, compounds 3a and 3b demonstrated lower acute toxicity for intraperitoneal administration, with LD50 values of 866 and 1224.7 mg/kg, respectively. Subacute toxicity tests, involving the repeated administration of a single dose of the test samples per day, revealed no significant deviations in hematological and biochemical parameters or pathomorphological tissues. The compounds exhibited potent antioxidant capabilities, reducing malondialdehyde (MDA) levels and increasing reduced glutathione (GSH). Enzyme inhibition assays of the sulfonyl hydrazones 3a and 3b with IC50 values of 18.2 µM and 10.7 µM, respectively and molecular docking studies revealed enoyl acyl carrier protein reductase (InhA) as the possible target enzyme of the compounds to show their antitubercular activities. In conclusion, the investigated sulfonyl hydrazones display promising antitubercular drug-like properties and warrant further investigation.

Based on the electron-deficient property of picric acid (PA), two neutral Ir(III) complexes 1 and 2 modified with the electron-rich carbazolyl groups were synthesized and characterized. Both 1 and 2 exhibit aggregation-induced phosphorescence emission (AIPE) properties in THF/H2O. Among them, 2 is extremely sensitive for detecting PA with a limit of detection of 0.15 μM in THF/H2O. Furthermore, the selectivity for PA is significantly higher compared to other analytes, enabling efficient detection of PA in four common water samples. The density functional theory calculations and the spectroscopic results confirm that the sensing mechanism is photo-induced electron transfer.

Formaldehyde (HCHO), an indoor volatile organic compound, is seriously harmful to human health. Therefore, green and effective decomposition of HCHO is essential. TiO₂ has been employed for the degradation of HCHO via photocatalytic generation of reactive oxygen species (ROS) (O^2-, ·OH), yet the low specific surface area of crystalline TiO₂ depressed the catalytic performance. Herein, we prepared TiO₂ aerogels with high specific surface area and high porosity by sol-gel method, and added PVA to introduce flexible molecular chains for pore size regulation. The photocatalytic performance test verifies that the pore size of TiO₂ aerogel is one of the important factors for HCHO decomposition. Notably, through the establishment of theoretical model and calculation, we validated that the efficiency of HCHO decomposition is related to the oxygen pressure in the pores of TiO₂ aerogel, and the oxygen pressure is inversely proportional to the pore size. Accordingly, the optimal pore size of TiO₂ aerogel for the photocatalytic HCHO decomposition is 2 nm~10 nm. This study provides a theoretical idea for TiO₂ aerogels in the decomposition reaction of HCHO, which is expected to inspire more breakthroughs in the study of TiO₂ aerogels for green chemistry.

This study aimed to evaluate the effectiveness of decellularized nerves for promoting nerve regeneration by transplanting them from the sciatic nerve of a rabbit to that of a rat. The Sciatic nerves were harvested from New Zealand White Rabbits (n=4). A 1-cm segment of each nerve was decellularized by Sondell’s protocol and preserved at –4℃ in Roswell Park Memorial Institute (RPMI) 1640 medium for one week. Subsequently, a defect of a similar size was created in the sciatic nerves of rats. The decellularized nerves treated with detergent were then transplanted into these defects in the rats. The study included the three following groups: Group 1 (n=4) was the decellularized xenogeneic nerve group; Group 2 (n=7) was the negative control group in which the defect remained un-repaired; and Group 3 (n=5) was composed of the positive control group where the nerve was immediately transplanted from one rat to another. The sciatic functional index (SFI) was considered to evaluate the motor function by comparing it with the normal side at 1, 2, 3, and 4 weeks, and 1, 2, and 3 months postoperatively. Furthermore, electrophysiological and immunohistochemical assessments were conducted at 4 months. Immunohistochemically, at 16 weeks postoperative, the experimental group did not show statistically significant differences compared to controls in terms of schwann cell comparison, yet exhibited favorable outcomes when compared to the positive control group. Additionally, analysis of motor function test confirmed recovery of latency and nerve conduction velocity to levels similar to those of the normal side. While the nerve allograft demonstrated superior nerve regeneration in motor function test at 3 months, markedly low values were observed in all groups. When reconstructing peripheral nerves using detergent-based decellularized xenogenic nerves, analysis of immuno-histochemistry and motor nerve conduction study reveals a promising degree of nerve regeneration. However, when compared with fresh allograft group at 3 months after operation, the sciatic functional index was lower. Significantly lower values observed across all groups compared to previous assessments indicate the need for further research into potentially influential alternative factors.Histologically, at 16 weeks postoperative, the experimentally treated group did not show statistically significant differences compared to the controls in terms of a Schwann cell comparison, but exhibited favorable outcomes when compared to the positive control group. Additionally, an analysis of the motor function testing confirmed recovery of the latency and nerve conduction velocity to levels similar to those of the normal side. While the nerve allograft demonstrated superior nerve regeneration in the motor nerve examination at 3 months, notably low values were observed in all the groups. When reconstructing the peripheral nerves using detergent-based decellularized xenogeneic nerves, an analysis of immunohistochemistry and motor nerve conduction study reveals a promising degree of nerve regeneration. However, when compared with the fresh allograft group at 3 months post-operation, the sciatic functional index was lower. The significantly lower values observed across all groups compared to those of the previous assessments indicate the need for further research of potentially influential alternative factors.

Formaldehyde (HCHO), an indoor volatile organic compound, is seriously harmful to human health. Therefore, green and effective decomposition of HCHO is essential. TiO2 has been employed for the degradation of HCHO via photocatalytic generation of reactive oxygen species (ROS) (O2-, ·OH), yet the low specific surface area of crystalline TiO2 depressed the catalytic performance. Herein, we prepared TiO2 aerogels with high specific surface area and high porosity by sol-gel method, and added PVA to introduce flexible molecular chains for pore size regulation. The photocatalytic performance test verifies that the pore size of TiO2 aerogel is one of the important factors for HCHO decomposition. Notably, through the establishment of theoretical model and calculation, we validated that the efficiency of HCHO decomposition is related to the oxygen pressure in the pores of TiO2 aerogel, and the oxygen pressure is inversely proportional to the pore size. Accordingly, the optimal pore size of TiO2 aerogel for the photocatalytic HCHO decomposition is 2 nm-10 nm. This study provides a theoretical idea for TiO2 aerogels in the decomposition reaction of HCHO, which is expected to inspire more breakthroughs in the study of TiO2 aerogels for green chemistry.

Microplastic pollution (MP) in marine environments around the globe is severe and enough precautions have not been taken so far for its prevention. The focus of this study is to quantify MPs from beach sediment and seawater samples and to identify their distribution and types along the western coast of Sri Lanka from the Kelani River estuary to the Mahaoya estuary. Nine sites along this 42 km stretch were selected and random sampling was employed to collect a minimum of 8 sediment samples from each site between October and December 2021. Water samples were also collected, parallel to the sediments, from the ocean surface. FTIR analysis revealed that most of the MPs found were polyethylene(PE), polypropylene(PP), polystyrene(PS), polyethylene terephthalate(PET), and phenol formaldehyde resin. The mean abundance of MPs varied from 2.0 ± 0.6 items/L to 161.0 ± 15.7 items/L in water samples and, from 3.0 ± 0.3 items/m2 to 656.0 ± 34.5 items/m2 in sediment samples. The MPs found were identified in different shapes as fragments (80.2%), pellets (14.9%), fibers (2.7%) and foams (2.5%). Analysis revealed that the beach sediments were contaminated with PS, phenol formaldehyde resin, PET, PP and PE, while surface seawater is dominated by phenol formaldehyde resin, PS, PP and PE.

La integration (at various nominal contents) in SBA-15 prepared under acidic medium was intended from corresponding direct nitrate addition during mesoporous silica formation. Materials were impregnated with Pt (1.5 w%) and studied through several textural (N2 physisorption), structural (XRD, TG-DTG) and surface (FTIR, STEM-HAADF, SEM-EDS, NH3 and CO2 TPD) instrumental techniques. Pt-impregnated solids were tested in phenol hydrodeoxygenation (HDO, T=250 °C, 3.2 MPa, batch reactor, n-decane as solvent). Catalytic activity (in pseudo first order kinetic constant, kHDO basis) was related to Pt dispersion which was, however, not determined by nominal rare earth content. Determining actual composition of modified SBA-15 materials is crucial in reaching sound conclusions regarding their physicochemical properties, especially when La modifier is directly added during mesoporous matrices formation where efficient interaction among constituents could be difficult to get. Otherwise, results from some characterization techniques (N2 physisorption and FTIR, for instance) could be misleading and even contradictory. Indeed, extant modifier precursors when under SBA-15 synthesis conditions could affect the properties of prepared materials even though they were absent in obtained| formulations. Performing a simple compositional analysis could eliminate uncertainties regarding the role of various modifiers on characteristics of final catalysts. However, several groups have failed in doing so.

In this paper, the deformation behavior of S32750 duplex stainless steel during low cycle fatigue was studied by controlling number of cycles. The microstructure of the specimens under different cycles was characterized by optical microscope (OM), scanning electron microscope (SEM), electron backscatter diffraction (EBSD) and transmission electron microscope (TEM). Microhardness of two phases was measured by a digital microhardness instrument. The results showed that the microhardness of ferrite increases significantly after the first 4000 cycles, while the austenite shows a higher strain hardening rate after fatigue fracture, and the microhardness of ferrite and austenite increases by 23 HV and 87 HV, respectively. Two-phase kernel average misorientation (KAM) diagram showed that the continuous accumulation of plastic deformation easily leads to the initiation of cracks inside the austenite and at the phase boundaries. The evolution of dislocation morphology in two phases was obviously different. With the increase of cycle number, the dislocation in ferrite gradually transforms from dislocation bundles and dislocation array to sub-grain structure, while the dislocation in austenite gradually develops from dipole array to ordered Taylor lattice network structure.

The design of an antimicrobial coating materials becomes ideal in order to prevent infections caused by the transmision of pathogens coming from human’s contact with contaminated surfaces. In that aim layered single hydroxides (LSH) and layered double hydroxides (LDH) containing Zn and Cu, in nitrate form and intercalated with antimicrobial molecules, were synthe-sized and characterized. Cinnamate and salicylate anions were chosen to be intercalated in the fillers because of their well known antimicrobial activity. Several coatings based on polyvinyl alcohol (PVA) and LDH or LSH with increasing amounts of filler were prepared and filmed on a polyethylene terephthalate (PET) substrate. Coatings were characterized and their antimi-crobial activity was evaluated against pathogens critical in nosocomial infections, giving interesting results.

Novel functionalized and/or grafted crosslinked chitosan adsorbents were synthesized and used to remove several toxic heavy metal ions from contaminated water efficiently and selectively. The chitosan biopolymer was functionalized by maleic anhydride (CS_MA), which also acted as a crosslinking agent. Separately, Glutaraldehyde-crosslinked chitosan (CS_GA) was grafted with poly(methyl methacrylate) (CS_MMA). The synthesized adsorbents were used to adsorb and remove heavy metal ions from contaminated water. The metal ions were nickel, lead, chromium, and cadmium. The adsorption capacity of the adsorbents was analyzed under various conditions of contact time, adsorbent dose, initial concertation, temperature, and pH and evaluated against those of pure chitosan (CS) and the crosslinked one (CS_GA). The ultimate conditions for the ions removal were 0.5g/100ml adsorbent dose, an initial metal ion concentration of 50 ppm, a temperature of 45oC, and a pH 9. CS_MMA, which had the highest removal percentages for all metal ions, ranging from 92% to 94%. The adsorption was demonstrated to fit a pseudo-first-order model that followed a Langmuir adsorption isotherm. The results highlight the capacity of the synthesized polymers to efficiently remove major toxic contaminants at low cost from contaminated water, present especially in low-income areas, without harming the environment.

To elucidate mesenchymal stromal cells (MSC)-tumor intricate and ambiguous interactions, the reliable cell labeling and tracking techniques are imperative. Traditional methods of cell labelling have limitations mostly relevant to need for genetic modification what demands the exploration for alternative strategies. Here, we propose using fluorescent photoconvertible microcapsules containing Rhodamine B (RhB) to study mMSC migration in brain tumors. These 3 μm sized microcapsules are readily internalised by cells and undergo photoconversion under 561 nm laser exposure with fluorescence blue shift on demand. Optimal photoconversion was achieved with a laser irradiation duration of 0.4 ms, which provide a maximal brightness of photoconverted label without an excessive laser exposure on cells. Capsules modified with polyallylamine hydrochloride demonstrated the best potential for intracellular uptake without significantly affecting cell viability, motility, or proliferation. The optimal ratio of 20 capsules per mMSC was determined for labeling. Moreover, migration of individual mMSCs within 2D and 3D glioblastoma cell (EPNT-5) colonies over 2 days and in vivo tumor settings over 7 days was tracked. Our study unveils a robust platform for investigating MSC-tumor dynamics, offering insights into therapeutic strategies. Photoconvertible microcapsules could also become an indispensable tool for studying complex fundamental processes of cell-cell interactions for a wide range of problems in biology and medicine.

Lysine plays a crucial role in promoting development, enhancing immune function, and improving the function of central nervous system tissues. The two configurational isomers of amino acids have significantly different effects. Currently, methods for chiral recognition of lysine all have drawbacks such as expensive equipment and complicated detection processes, whereas fluorescence analysis boasts high sensitivity, strong selectivity, and simple operation. In this study, we synthesized four novel Binaphthyl-Amine (BINAM)-based fluorescent probes capable of specifically identifying the L-configuration of lysine among the twenty amino acids constituting human proteins. The enantiomeric fluorescence enhancement ratio (ef or ΔIL/ΔID) reached up to 15.29, demonstrating high enantioselectivity. We also evaluated the probe's recognition ability under different pH, reaction times, and metal ion conditions, as well as the Limit of Detection of the probe. Our findings indicate that this probe is a highly stable tool for detecting chiral lysine.

Advances in the treatment of cancer with immunotherapy necessitate a locally administered sustained-delivery system to improve treatment efficacy and reduce toxicity. Towards this end, the encapsulation and release characteristics of human antibody immunoglobulin-G (IgG-FITC) were investigated with the coaxial electrospray technique. The antibody solution was exchanged for a solution at the antibody’s isoelectric pH. The shell solution consisted of PLGA in ethyl acetate. The impact of shell flow rates was investigated in the fabrication of IgG-FITC-loaded PLGA microparticles and the release-profile of IgG-FITC from the PLGA microparticles was characterized. Encapsulation efficiency ranged from 0.04-1.52%. Fluorescence images suggest core localization in the formulation with a lower shell flow rate and shell localization in the formulation with the higher shell flow rate. SEM image analysis revealed that lower shell flow rate resulted in the smaller average particle size with minimal difference in zeta potential between formulations. The lower shell flow rate exhibited a release profile with a t1/2 of 36 hours whereas the higher shell flow rate had a t1/2 < 3 hours. Antibody-fluorescence signals were measured for 28 days and indicated a biphasic release profile with a burst-release followed by a sustained-release in both formulations.

Background: Boronic acids form di-ester bonds with cis-hydroxyl groups in carbohydrates. The formation of these adducts could impair the physical and chemical properties of the precursors, even their biological activity. Methods: Two carbohydrate-derivatives from D-fructose and D-arabinose and phenylboronic acid were synthesized in a straightforward one-step procedure and chemically characterized by spectroscopy and X-ray diffraction crystallography. Also, an acute toxicity test was performed to determine their Lethal Dose50 (LD50) by using the Lorke’s method. Results: Analytical chemistry assays confirmed adducts by the generation of the diester bonds with a β-D-pyranose of carbohydrates, including signals corresponding to the formation of new bonds, like the stretching of B-O bonds. The NMR spectra yielded information about the stereoselectivity in the synthesis reaction by the finding of just one signal in the range for the anomeric carbon in the 13C NMR spectra of both adducts. The acute toxicity tests showed that LD50 value for both compounds is 1265 mg/kg, while Effective Dose 50 for sedation is 531 mg/kg. However, differences were in the onset and lapse of sedation. Conclusions: These adducts are bioactive and highly safe agents. Further biological evaluation is desirable to explore medical purposes.

Gold nanostructures (AuNSs) were used to fabricate surface-enhanced Raman spectroscopy (SERS) substrates. These AuNSs were produced by the solid-state dewetting method from thin films. The fragmentation process was studied at 300 °C, considering the duration of the thermal treatment for 1, 3, 6, and 12 hours. These SERS substrates were then employed to detect Rhodamine B (RhB) as a model analyte, simulating a contaminant in water at a concentration of 5 ppm. The morphology of the AuNSs was examined using SEM, which revealed a spheroidal shape beginning to coalesce after 12 hours. The size of the AuNSs was estimated to range from 22 ± 7 to 24 ± 6 nm, depending on the annealing time. The surface plasmon resonance of the AuNSs was determined using absorption spectroscopy, showing a shift as the annealing time increased. The SERS signals of RhB adsorbed on the AuNS substrates were studied, and a comparative analysis showed no significant differences in the positions of the bands; however, variations in intensity enhancement ranged from 20 to 90 times for 6 and 3 hours, respectively. Three new vibrational modes, observed at 1683, 1720, and 1789 cm–1, have been identified and reported.

The article offers a comprehensive overview of recent breakthroughs in eco-friendly polymers and polymer composites, underscoring their pivotal role in addressing sustainability challenges across diverse industrial sectors. Despite encountering obstacles related to performance and processability, biopolymers sourced from renewable materials emerge as promising alternatives for the plastics that are currently used by human beings. Natural fillers are highlighted as a strategic avenue for crafting sustainable composites, with residual natural fillers being particularly explored. Heightened environmental concerns propel discussions on the criticality of integrating biodegradable materials with natural fillers, underlining the urgency for clear frameworks and financial incentives to support adoption of these materials. Additionally, the article examines the potential of biodegradable polymers and polymer composites, with a specific emphasis on the utilization of polyhydroxyalkanoate (PHA) in composite materials and its market prospects. Moreover, it emphasizes the indispensable need for ongoing research and development endeavors to address environmental challenges within the polymer sector, reflecting a mounting interest in sustainable materials across industries.

High-density polyethylene (HDPE) waste poses a significant environmental challenge due to its non-biodegradable nature and the vast quantities generated annually. However, conventional recycling methods are energy-intensive and often yield low-quality products. Herein, HDPE waste is upcycled into anti-aging superhydrophobic thin films suitable for outdoor applications. A two-layer spin-casting method combined with heating-induced crosslinking is utilized to produce an exceptionally rough superhydrophobic surface, featuring a root mean square (RMS) roughness of 50 nm, an average crest height of 222 nm, an average trough depth of –264 nm, and a contact angle (CA) of 148°. To assess durability, weathering tests were conducted, revealing the films' susceptibility to degradation under harsh conditions. The films' resistance to environmental factors is improved by incorporating a UV absorber, maintaining their hydrophobic properties and mechanical strength. Our research demonstrates a sustainable method for upcycling waste into high-performance, weather-resistant superhydrophobic films.

The growing interest in benchtop NMR systems is visible in a vast number of applications in science and industry. Low-field nuclear magnetic resonance (LF-NMR) became an instant in technologies that productions are dependent on the reliable structure identification, grade and purity control, chemical process inspection or reaction monitoring. Beyond the benefits of being cost-, space-, maintenance- and user friendly, insufficient sensitivity and low signal resolution are the main drawbacks, due to which the low-field NMR (LF-NMR) in the fields of organic chemistry and synthesis remains limited to solely academic teaching purposes. Herein, we discuss the possibilities of LF-NMR for the needs of organic chemistry and synthesis on a set of compounds 1-4 achieved as the products of student’s laboratory course and organic derivatives 5-8 that are from our research interests. Chemical structure determination of all compounds 1-8 presented herein was performed using the benchtop-type NMR instrument operating at 60 MHz (Pulsar Oxford Ltd.). Structure of novel compounds 5-7 prepared under the aims of our research was characterized by combined 1H/19LF-NMR and compared with an appropriate high-field NMR data from Bruker Ascend Instrument (400 MHz). Finally, possibilities of the low-field NMR as an analytical tool for the research purposes in the fields of organic chemistry and synthesis are documented on a set of 1H and 2D 1H-1H COSY for azomethine 8.

The use of edible films has become a topic of great interest in the food and environmental sectors, due to their potential to prevent food deterioration and their biodegradability. In this context, this study aimed to develop and characterize edible films based on camu-camu residue, gelatin and glycerol, evaluating their solubility, thermal, degradability, antioxidant and water vapor permeability properties of the gelatin matrix. This is the first study incorporating camu-camu into a gelatin and glycerol matrix. The films produced with the incorporation of camu-camu residue proved to be manageable and soluble, with the presence of some non-soluble residues, providing a shine and a well-presented appearance. In the biodegradation results the samples 03 and 04 appeared to degrade the most, being two of the three most affected samples in the triplicate. The films showed degradation modifications from the third day of the experiment. In the germination and plant growth analysis, Sample 04 showed satisfactory development compared to other samples, making it the sample with the best overall result in the analyses. These results demonstrate that the produced materials have potential for food packaging applications.

Recently, polyacetylene (PA) and polyenes (polyvinylenes) are receiving renewed scientific attention due to their unique physical properties potentially useful also for a number of non-electrical applications (e.g., hydrogen storage, drug delivery, adsorbent of organic compounds in aqueous systems, gas and liquid separation, oxygen absorbent in gas analysis, etc.). These chemical compounds can be obtained in form of a polyacetylene-PVOH copolymers simply by chemical dehydration of poly(vinyl alcohol) (PVOH), which is a very common type of polymer, widely used in different technological areas. This simple chemical reaction for the large-scale synthesis of PA/polyvinylenes has been investigated by reacting PVOH with fuming sulfuric acid at room temperature. In this process, PVOH, shaped in form of film, is dipped in fuming sulfuric acid (i.e., H₂SO₄ at 95-97%) and, after complete chemical-dehydration, it has been mechanically removed from the liquid phase by using a nylon sieve. This reduction process leads to a substantial PVOH film conversion to PA as it has been proved by infrared spectroscopy (ATR-mode). Indeed, the ATR spectrum of the reaction product included all characteristic absorption bands of PA. The reaction product has been also characterized by differential scanning calorimetry (DSC) and absorption optical spectroscopy (UV-Vis) in order to evidence respectively its solid-state thermal isomerization (cis-PA conversion to trans-PA) and presence in the structure of conjugated carbon-carbon double bonds of various extensions.

The present paper investigates flaw strength distributions established using various flexural tests on batches of SiC bar test specimens: 4-point bending as well as 3-point bending with different span lengths. Flaw strength is given by the elemental stress operating on the critical flaw at fracture of a test specimen. Fracture inducing flaws and their locations are identified by fractography. A single population of pores was found to dominate fracture. The construction of diagrams of p-quantile vs elemental strengths was aimed at assessing the Gaussian nature of flaw strengths. Then, empirical cumulative distributions of strengths were constructed using the normal distribution function. Weibull cumulative probability distributions were derived from the mean and the standard deviation using the first moment equation. Agreement was obtained between both Weibull and normal flaw strengths distributions. The cumulative distributions for the different bending tests were predicted satisfactorily from the flaw strength density function using the elemental strength model. Flaw strength distributions that include potential weaker flaws encountered in larger test pieces are extrapolated using the p-quantile diagrams. Implications are discussed about the pertinence of an intrinsically representative flaw strength distribution, about failure predictions, about size effects, and about the significance of flaw spatial distributions.

Flexible polymer-based dye-sensitized solar cells (DSSCs) offer promising potential for lightweight, cost-effective and versatile photovoltaic applications. However, the critical challenge in their widespread applications is the weak thermal stability of the majority of polymeric substrates, which can only withstand a maximum temperature processing of 150°C. In this study, we propose a facile and low-cost strategy to develop at low temperature DSSC flexible photoanode based on a polymeric matrix. Highly porous nanocomposites fibrous mats composed of polyethylene terephthalate (PET) and titanium dioxide (TiO2) nanobars were prepared through electrospinning process using different configurations (uniaxial electrospinning, coaxial electrospinning, and electrospray-assisted electrospinning). These techniques enabled precise control of the microstructure and the positioning of TiO2 within the composite nanofibers. Therefore, the as-produced photoanodes were loaded with N719 dye and tested in DSSC prototype using iodide-triiodide electrolyte and platinum (Pt) coated counter electrode. The results show that incorporating TiO2 on the fiber surface through the electrospray-assisted electrospinning enhanced the performance of the nanofiber composite, leading to improved dye loading capacity, electron transfer efficiency and photovoltaic performance.

Extruded polystyrene (XPS) is frequently used in the construction of many different structures. It is therefore necessary to appropriately characterize its mechanical properties to ensure the safety of said structures. Among the available characterization tests, static bending tests are simple and easy to perform; owing to these characteristics, they should be performed more frequently than other tests. However, in static bending tests on XPS, there are several challenges owing to the high flexibility of XPS, and the chosen testing method and sample configuration affect the accuracy of characterization. In this study, three bending properties (Young’s modulus, proportional limit stress, and bending strength) of samples cut from an XPS panel were determined using three-point bending (TPB), four-point bending (FPB), and compression bending (CB) tests with varying sample span/depth ratios, and statistical analyses were performed to determine the relevance of the tests. The experimental results suggest that the TPB and CB tests were more feasible than the FPB test when the span/depth ratio was appropriately determined. However, clear differences were observed in the sample bending properties determined in these tests. In light of these findings, further studies should be conducted to elucidate these differences.

The photoelectrochemical (PEC) conversion of organic small molecules offers a dual benefit of synthesizing value-added chemicals and concurrently producing hydrogen (H2). Ethylene glycol, with its dual hydroxyl groups, stands out as a versatile organic substrate capable of yielding various C1 and C2 chemicals. In this study, we demonstrate that pH modulation markedly enhances the photocurrent of BiVO4 photoanodes, thus facilitating the efficient oxidation of ethylene glycol while simultaneously generating H2. Our findings reveal that in a pH=1 ethylene glycol solution, the photocurrent density at 1.23 V vs. RHE can attain an impressive 7.1 mA cm−2, significantly surpassing the outputs in neutral and highly alkaline environments. The increase in photocurrent is attributed to the augmented adsorption of ethylene glycol on BiVO4 under acidic conditions, which in turn elevates the activity of the oxidation reaction, culminating in the maximal production of formic acid. This investigation sheds light on the pivotal role of electrolyte pH in the PEC oxidation process and underscores the potential of the PEC strategy for biomass valorization into value-added products alongside H2 fuel generation.

The high flammability and lack of charrability of polystyrene (PS) pose significant limitations on its broader applications. Therefore, there is an urgent need for a straightforward and efficient method for the synthesis of flame-retardant PS, which still poses a considerable challenge. In this study, we present an efficient approach to enhance the flame-retardant properties of PS through direct phosphorylating aromatic C(sp2)-H bonds using commercially available and inexpensive manganese catalyst. A range of phosphonates served as reactive substrates to enable a tunable degree of polymer functionalization. The corresponding phosphorylated PS specimens were determined by means of 1H NMR, 31P NMR, FTIR spectroscopy and GPC. Microscale combustion calorimetry (MCC) tests indicate that this protocol indeed enhances the flame-retardant performance of PS. Moreover, other advantages associated with the incorporation of the phosphonate group have been observed, including improved thermal resistance and wettability. This cost-effective strategy of Mn-catalyzed C-H can also be utilized to directly obtain phosphonate modification of waste foamed PS and styrene acrylonitrile copolymer, providing a new method for the purpose of recycling and upgrading PS plastics.

A novel composite consisting of fluorine-doped carbon and graphene double-coated LiMn0.6Fe0.4PO4 (LMFP) nanorods, synthesized via a facile low temperature solvothermal method that employs a hybrid glucose and polyvinylidene fluoride as carbon and fluorine sources. As revealed by physicochemical characterization, F-doped carbon coating and graphene form a ‘point-to-surface’ conductive network, facilitating rapid electron transport and mitigating electrochemical polarization. Furthermore, the uniform thickness of the F-doped carbon coating alters the growth of nanoparticles and prevents direct contact between the material and the electrolyte, thereby enhancing structural stability. Strong electronegative F− is beneficial to inhibit the structural changes of LMFP caused by Li-insertion/extraction during charge/discharge, which effectively reduces the Jahn-Teller effect, and inhibits Mn dissolution. The distinctive architecture of LMFP/C-F/G cathode material exhibits excellent electrochemical properties, exhibiting an initial discharge capacity of 163.1 mAh g−1 at 0.1 C and a constant Coulombic efficiency of 99.7% over 100 cycles. Notably, LMFP/C-F/G cathode material achieves an impressive energy density of 607.6 Wh kg−1 , surpassing that of commercial counterparts. Moreover, it delivers a reversible capacity of 90.3 mAh g−1 at a high current rate of 5 C. The high-capacity capability and energy density of the prepared materials give them great potential for use in next-generation lithium-ion batteries.

Reed (Phragmites autralis) is a plant species with a seasonal reproductive cycle, it has a very high biomass in U Minh Thuong National Park. This characteristic that management of forest fire is dificult in Vietnam. To evaluate height, diameter, density, growth, biomass of fresh and dry, biochar on reed plants; it include plant, stem, leaves, flowers; analysis indicators of growth, biomass, biochar on reed. compare chemical indicators of peat and biochar in U Minh Thuong and Kien Luong of Mekong Delta. Relationship of peat chemical with growth and biomass. Study adsorption from reed biochar with pig urine and inorganic chemical of nitrogen and phosphorus. Study on types of peatland thickness, each one had 5 plots, investigated height (Ht), diameter of stem (D0.0); weigh part of plants, stems, leaves and flowers. the soil samples collected on investigated 20 plots, biochar is analyzed for its chemical composition, then the biochar is adsorbed with pig urine and phosphorus and nitrogen inorganic. The results evaluated fresh biomass on parts of reed plant, dry biomass and biochar on parts of them. Results height 3.39 – 4.74 m, diemeter 1.8 – 3.17 cm, biomass 0.04 – 0.1 m3 / m2, weight 15.46 – 20.54 kg / m2. The dry weight / plant 127.34 – 358.58 g, a dry plant trunk 79.55 – 217.78 g, a dry plant leaves 33.78 – 112.16 g, a dry plant flowers 4.4 – 19.64 g. A plant Biochar 26.16 – 73.57 g, a trunk biochar 14.41 – 39.44 g, a leaf biochar 8.16 – 22.59 g, a flower biochar 2.59 – 11.54 g, Peat analysis, indicators decrease P2O5, SO42-, NH4+ and increase are pH, humic acid, N%, K2O, Fe2+. Compare biochar indicators of U Minh Thuong and Kien Luong indicators higher are 9/11 as humic acid, OM%, Ash%, C%, N%, P%, K%, Ca%, Mg%. Indicators lower are as pH and SiO. Reed biochar can adsorption the pig urine as ammonium, nitrate, nitrogen, phosphorus and it also adsorption inorganic as nitrogen and phosphorus. This discovery it is possible to propose the use of data for environment treatment and application of biochar fertilizer for agriculture in region.

Thioethers are critical in the fields of pharmaceuticals and organic synthesis, but most of the methods for synthesizing alkyl thioethers employ foul-smelling thiols as starting materials or generate them as by-products. Additionally, most thiols are air-sensitive and are easily oxidized to produce disulfides under atmospheric conditions; thus, a novel method for synthesizing thioethers is necessary. This paper reports a simple, effective, green method for synthesizing dialkyl or alkyl aryl thioether derivatives using odorless, stable, low-cost ROCS2K as a thiol surrogate. This transformation offers a broad substrate scope and good functional group tolerance with excellent selectivity. The reaction likely proceeds via xanthate intermediates, which can be readily generated via the nucleophilic substitution of alkyl halides or aryl halides with ROCS2K under transition-metal-free and base-free conditions.

One of the major sources of catastrophic failures and deterioration of the mechanical properties of metals such as ductility, toughness, and strength, of various engineering components during application is hydrogen embrittlement (HE). It occurs as a result of adsorption, diffusion, and interaction of hydrogen with various metal defects like dislocations, voids, grain boundaries and oxide/matrix interfaces due to its small atomic size. Over the years, extensive effort has been dedicated to understanding hydrogen embrittlement sources, effects, and mechanisms. This research aimed at assessing the tensile properties; toughness, ductility, and susceptibility to hydrogen embrittlement, of cold-finished mild steel. Steel coupons were subjected to electrochemical hydrogen charging in a carefully chosen alkaline solution over a particular time and at various charging current densities. Tensile property tests were conducted immediately post the charging process, and the results were compared with those of uncharged steel. The findings revealed a clear drop in toughness and ductility with increasing hydrogen content. Fracture surfaces were examined to determine failure mechanisms. This evaluation has enabled the prediction of the steel's ability to withstand environments with elevated hydrogen concentrations during practical applications.

Molecular dynamics simulations were performed to examine the impact of temperature (ranging from 250K to 350K) on the structural behavior of cellulose chains when dissolved in an aqueous cuprammonium hydroxide Cuam solvent system. By monitoring the root mean square deviation (RMSD) and radius of gyration (Rg) values at each temperature, we found that the geometric deformation of the cellulose chains changed significantly at T=300K. In contrast, Rg and RMSD values remained stable at temperatures in the range of 250K, 270K and the range of 330K, 350K. Calculating the interaction energy between the solvent and cellulose chains revealed that temperature significantly influences the cellulose dissolution process in the Cuam solvent system and that T=300K is an efficient temperature for its dissolution. The number of intra- and interchain hydrogen bonds was also calculated as a function of temperature, and the analysis confirmed that there is no breakage of these bonds at temperatures below 300 K (i,e: 250K, 270K) and above 310 K (I,e, : 330K and 350K) either between two native chains or between a native chain and another derivative.

Within the polyurethanes market, only 0.1% are from renewable sources. With the continuing concern about climate change and greenhouse gases in the atmosphere, the substitution of monomers and processes derived from petrochemical sources is crucial for the development of biomaterials. Therefore, polyhydroxyurethanes have propose due to their synthesis route with the incorporation of monomers from renewable sources such as vegetable oils and the substitution of isocyanates known for their high toxicity, carcinogenicity and petrochemical origin, and the use of carbon dioxide. There are few reports on the use of soybean oil and the possible application of these materials in wound healing applications. Based on this, polyhydroxyurethanes were obtained from carbonated soybean oil and two diamines, one aliphatic: 1,4-butadiamine (putrescine), and one cycloaliphatic: 1,3-cyclohexanobis(methylamine), and they were physiochemically, mechanically, and thermally characterized. Four polyhydroxyurethanes were obtained, with stability to hydrolytic and oxidative media, thermal stability above 200 °C, tensile strength between 0.9-1.1 MPa, elongation at break between 81 and 222%. And water absorption up 102% and contact angle between 63,70 and 101,39. Achieving new formulations of biobased NIPHUs that represent a more sustainable process which allow to achieve the physicochemical, mechanical, and thermal properties required for the preparation of wound dressings.

There are various approaches to managing polyethylene terephthalate waste, including methods for recycling PET. However, at present, only the cleanest wastes that can already be efficiently recycled using known methods are considered in the scientific literature. The study aims to look at other forms of polyethylene terephthalate waste that pose a challenge: low quality PET flakes, polyester tire cord, PET dust and prepolymer waste. The waste was characterized by FTIR spectroscopy, viscosimetry, differential scanning calorimetry, laser diffraction and sieve analysis. The findings describe the composition and properties of various forms of polyethylene terephthalate waste. Low quality PET flake waste and polyethylene terephthalate dust have been shown to be suitable for all chemical recycling methods. When recycling waste polyester tire cord, it is difficult to completely separate the rubber, so its presence in the final product must be taken into account. The most promising way to process a prepolymer is its depolymerization by hydrolysis, alcoholysis or glycolysis to produce monomers for the synthesis of PET, similar in properties to the primary one.

This short report extends our previous paper “Multiplicity of human scent signature” and transfers canine identification to digital processing of data. The question is whether current GCxGC-MS technology and computer-based identification can perform identification as well as canines. This would objectify the identification of persons. Working with digital scent samples enables the use of multiple scent signatures for more exact identification. More differently constructed signatures during the identification process may represent the key point in identification of persons in olfactronics. Several types of scent signatures were considered in this article. The digital scent signatures were constructed based on the relative contents of the chemical compounds in the samples and relative ratios of compounds in the samples. Further on the signatures were made from the parts of the original samples fractioned by the volatility of compounds and by the relative abundance of the compounds in the samples. These results confirm the scent multiplicity phenomenon in digital scent samples. Using differently constructed signatures may be the key point in identification of persons using digital scent samples. This approach enables a transition from subjectivity to objectivity and a change from physical olfactory to olfactronic processing of digital scent samples.