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.

To protect skin from harmful ultraviolet (UV), zinc oxide (ZnO) with tannin from gallnuts was treated on cotton and polyester fabrics in this study. Before the treatments, the fabrics were dyed with shikonin and xanthophyll from Gromwell and Cape Jasmine. First, this study found that xanthophyll was more effective at preventing light fade or discoloration than shikonin. Despite the highest K/S, the untreated cotton in violet faded the most intensely when exposed to UV. The color variation of untreated polyester was narrow, with little change in L, a*, and K/S. Due to the non-photochemical xanthophyll, the yellow-dyed samples treated with ZnO/polyphenol did not vary yellowness (b*: 28.838) significantly, while the violet fabrics displayed a significant decrease in K/S and an increase in b*. The combination of ZnO and polyphenol treatment improved UV absorption at 350 to 250 nm. Cu-mordanting after ZnO/polyphenols treatment caused the violet cotton to turn reddish from blueish (negative to positive b*), with a hue change of 316° to 59° and the highest ΔE (25.90±4.34) after UV exposure. In this study, the combination of ZnO/polyphenol with Cu-mordants contributed the xanthophyll-dyed polyester to achieve a minimum ΔE and keep chroma and hue after UV exposure.

Spent coffee grounds (SCG) have great potential as a useful, value-added biological material. In this context, activated carbon (AC) was prepared from SCG by an activation process using H3PO4 at 600°C in air and used as an adsorbent for the azo dye AO7, a model molecule for dye colorants found in textile industry effluents. X-ray diffraction, SEM and BET revealed that the AC was predominantly amorphous, consisting of a powder of 20-100 µm particles with mesopores averaging 5.5 nm in pore size. Adsorption kinetics followed a pseudo-second-order law, while the Langmuir model best fitted experimental isotherm data (maximum capacity of 119.5 mg AO7 per AC g). Thermodynamic parameters revealed that adsorption was endothermic and spontaneous. All the characterizations indicated that adsorption occurred by physisorption via mainly - interactions. The best experimental removal efficiency optimized by means of a Box-Behnken design and response surface methodology was 98% for an initial AO7 concentration of 20 mg.L-1 at pH 7.5 with a dose of 0.285 g.L-1 of AC and a contact time of 40 min. These results clearly show that activated carbon prepared from SCG can be a useful material for efficiently removing organic matter from aqueous solutions.

Several series of new polymers were synthesized: binary copolyesters of vanillic (VA) and hydroxybiphenylcarboxylic (HBCA) acids, as well as ternary copolyesters additionally containing hydroxybenzoic acid (HBA) and obtained via three different ways (in solution, in melt and in solid state). The high values of logarithmic intrinsic viscosities and insolubility of several samples proved its high molecular weights. It has been shown that the use of vanillic acid leads to the production of copolyesters with a relatively high glass transition temperature (about 130°C). Thermogravimetric analysis revealed onset of weight loss temperatures of ternary copolyesters occurred at 330-350 °C, the temperature of 5% mass loss is in the range of 390-410 °C. Two-stage thermal destruction is observed for all aromatic copolyester of vanillic acid: decomposition begins with VA units at 420-480 °C, and then decomposition of more heat-resistant units demonstrated above 520 °C. The copolyesters are thermotropic and exhibit a typical nematic type of liquid crystalline order. Mechanical characteristics of copolyesters are close to those for semi-aromatic copolyesters, but are much lower than typical values for fully aromatic thermotropic polymers. Thus, vanillic acid is a mesogenic monomer suitable for the synthesis of thermotropic fully aromatic and semi-aromatic copolyester, but resulting processing temperature must not exceed 280°C.

The movement of liquid droplets on the energy gradient surface has attracted extensive attention. Inspired by biological features in nature, such as the periodic spindle-shaped nodes in spider silks and conical-like barbs of cacti, the structure-property-function relationship of multifunctional gradient surfaces. In this study, a series of specific patterns are fabricated by 3D printing technology, followed by modification via the atmospheric pressure plasma treatment and liquid phase chemical deposition, resulting in enhancing the ability of water droplets of 5μL to travel 18.47mm on a horizontal plane and 22.75mm against gravity up to 20° tilting angle. Additionally, analysis techniques have been employed including contact angle analyzer, ESCA and laser confocal microscope to evaluate the sample performance. This work could further be applied to many applications related to microfluidic devices, drug delivery and water/fog collection.

This study explores the enhancement of aqueous zinc-ion batteries (AZIBs) using ammonium-enhanced vanadium oxide cathodes. Density Functional Theory (DFT) calculations reveal that NH₄⁺ incorporation into V₆O₁₆ lattices significantly facilitates Zn²⁺ ion diffusion by reducing electrostatic interactions, acting as a structural lubricant. Subsequent experimental validation using (NH₄)₂V₆O₁₆ cathodes synthesized via a hydrothermal method corroborates the DFT findings, demonstrating remarkable electrochemical stability with a capacity retention of 90% after 2000 cycles at 5 A g⁻¹. These results underscore the potential of NH₄⁺ in improving the performance and longevity of AZIBs, providing a pathway for sustainable energy storage solutions.

The interest in obtaining new composite materials with diverse properties has created a growing interest in natural fi-bers as reinforcement in polymers, which has generated an impact in sectors such as automotive and construction, dis-placing synthetic fibers. Properties such as low density, low cost, and rene.wable make these fibers an attractive alterna-tive to reduce environmental impact. Their application in polymers, such as polypropylene, polyethylene, and epoxy resins, has allowed the modification of polymeric composite materials' mechanical and physical properties (NFRP). This review focuses on investigating the status of natural fiber-reinforced polymers. It analyzes their worldwide demand, chemical characteristics, physical and mechanical properties, and various applications in different sectors and indus-tries. In addition, the advantages and disadvantages of NFRPs are highlighted, highlighting their potential for new ap-plications.

Intermediate temperature solid oxide fuel cell (SOFC) operation provides numerous advantages such as high combined heat and power (CHP) efficiency, potentially long-term materials stability, and the use of low-cost materials. However, due to the sluggish kinetics of the oxygen reduction reaction at intermediate temperature, the cathode of SOFC requires an efficient and stable catalyst. Significant progress in the development of cathode materials has been made over recent years. In this article, multiple strategies for improving the performance of cathode materials have been extensively reviewed such as A and B site doping of perovskites, infiltration of catalytic active materials, the use of core-shell composites, etc. Emphasis has been given to intrinsic properties such as thermal expansion compatibility, chemical and thermal stability, and oxygen transport number. Furthermore, to avoid any insulating phase formation at the cathode/electrolyte interface, strategies for interfacial layer modifications have also been extensively reviewed and summarized. Based on major technical challenges, future research directions have been proposed for efficient and stable intermediate temperature solid oxide fuel cell (SOFC) operation.

The electric vehicle (EV) industry challenges battery joining technologies by requiring higher energy density both by mass and volume. Improving the energy density via new battery chemistry would be the holy grail but is seriously hindered and progresses slowly. In the meantime, alternative ways, such as implementing more efficient cell packaging by minimizing the electrical resistance of joints are of primary focus. In this paper we discuss the challenges associated with the electrical characterisation of laser soldered joints in general, and the minimization of their resistive losses, in particular. In order to assess the impact of the joint resistance on the overall resistance of the sample, the alteration in resistance was monitored as a function of voltage probe distance and modelled by finite element simulation. The experimental measurements showed two different regimes: one far from of the joint area and another in its vicinity and within the joints cross section. The presented results confirm the importance of the thickness of the filler material, the effective and the total soldered area, and the area and the position of the voids within the total soldered area in determining the electrical resistance of joints.

A novel nano-laminated GdB2C2 material was successfully synthesized using GdH2, B4C, and C via an in-situ solid state reaction approach for the first time. The formation mechanism of GdB2C2 was revealed based on the microstructure and phase evolution investigation. A purity of 96.4 wt. % GdB2C2 was obtained at a low temperature of 1500 ℃, while a near full pure GdB2C2 can be obtained at a temperature over 1700 ℃. The as-obtained GdB2C2 presented excellent thermal stability at high temperature of 2100 ℃ in Ar atmosphere due to the stable frame work formed by the high covalent four-members and eight-members B-C rings in GdB2C2. The minimum reflection loss value (RLmin) of -47.01 dB with an effective absorption bandwidth (EAB) of 1.76 GHz at a thickness of 3.44 mm was obtained for the GdB2C2 synthesized at 1500 ℃. The possible EMWA mechanism could be ascribed to the nano-laminated structure and appropriate electrical conductivity, which facilitated to the good impedance matching, remarkable conduction loss, interfacial polarization as well as multiple interface reflection and scattering. The as-obtained GdB2C2, with excellent EMWA performance as well as remarkable ultra-high temperature thermal stability, could be a promising candidate for the EMWA materials applications in extreme ultra-high temperatures.

Heterodimeric approach has emerged as a promising method for simultaneously targeting multiple receptors on tumor cells using a single molecule. Simultaneous targeting of the prostate-specific membrane antigen (PSMA) and the gastrin-releasing peptide receptor (GRPr) holds the potential to improve the accuracy of prostate cancer diagnosis. This study aimed to develop and compare six alternative routes for stereoselective synthesis of heterobivalent conjugates designed to deliver the chelating agent DOTA to PSMA/GRPr receptors. The comparison of these alternative synthetic approach, considered such factors as efficiency, complexity, synthesis and purification characteristics, as well as yields of the target compounds has been made. Optimal conditions for the stereoselective synthesis of heterobivalent ligands to PSMA and GRP, which could serve as molecular platforms for the targeted delivery of therapeutic and/or diagnostic agents to these receptors, were determined. For synthesized heterobivalent ligand 26^x and heterobivalent conjugate with DOTA 27 complete signal assignment in ¹H, ¹³C, and ¹⁵N NMR spectra was achieved using 2D NMR techniques. Based on these data, comprehensive signal assignments were provided for all final compounds in their NMR spectra.

Studies of the fundamental origins of friction have undergone a rapid acceleration in recent years by providing valuable information on the nanoscale mechanisms responsible for the friction at the macroscopic level. Significant efforts have been directed into developing composite nanofluids and nanoparticle additives to unlock new tribological properties unattainable by traditional lub-ricants. The studies are now further evolving by developing methods to achieve active control of the nano- and/or mesoscale friction by application of magnetic and electric fields external to the contact. These methods constitute an area of rapidly growing interest, and they also are illumi-nating how the performance of conventional lubricants could be enhanced through synergistic addition of nanoparticles (NPs). This mini-review highlights 25 publications that collectively re-veal significant progress, as well as important outstanding challenges, to a fundamental under-standing of how the addition of NPs impacts the lubricant performance. The first two sections focus on the use of Quartz Crystal Microbalance (QCM), a technique that spans atomic to mac-roscale length and time scales. Subsequent sections expand to complimentary methods comparing results at the macro and atomic scale for similar materials. These studies highlight the pivotal role of the nanoparticle charge and surface treatment, while also indicating that rolling of nano-particles is ineffective and/or detrimental.

The Julia-Kocienski olefination reaction has become over past 30 years since its discovery one of the key C-C connective methods that is used in the late-stage natural product synthesis. The reaction proceeds under mild reaction conditions, with wide substrate scope and functional group tolerance, and with high (E) selectivity. In this review, we discuss the reaction from a mechanistic point of view and disclose key features that play an important role in reaction selectivity. Finally, the mechanistic aspects of the newly developed modification of the Julia-Kocienski reaction, which allows the formation of both (E) and (Z) olefins, from the same reaction partners, are discussed.

Hazelnut shells (HS), scientifically known as Corylus avellana L. shells, are a waste produced in companies that process nuts. The main objective of this study was to find an efficient way to maximize the chemical potential of HS by solubilizing the hemicelluloses, which could then be used to recover sugars and at the same time increase the lignin content of this material in order to produce adhesives or high strength foams. In order to optimize the pre-hydrolysis process, two different temperatures (160 and 170 C) and times varying from 15 to 180 min were tested. All the remaining solid materials were then liquefied by polyalcohols with acid catalysis. The chemical composition of hazelnut shells was determined before and after the pre-hydrolysis. All the process was monitored by FTIR-ATR by determining the spectra of solids and liquids after pre-hydrolisis and liquefactions steps. The highest solubilization of hazelnut shells was found for 170 C and 180 min, resulting in a 25.8% solubilization. Chemical analysis after the hydrolysis process showed a gradual increase in the solubilization of hemicelluloses as both the temperature and time of the reactor were increased. Simultaneously, the percentages of α-cellulose and lignin in the material also increased with rises in temperature and duration. FTIR-ATR allowed for the detection of significant spectral changes in the hazelnut shells from their initial state to the solid residue and further into the liquefied phase. This confirmed that pre-hydrolysis was effective in enhancing the chemical composition of the material, making it more suitable for the production of adhesives or polyurethane foams with enhanced mechanical strength.

The characteristics of gap plasmon formed by nanoparticle-on-mirror (NPOM) structure composed of metal nanoparticles (MNP) and metal thin films have aroused the interest of various optoelectronic devices. The resonant spectrum obtained by the internal coupling effect of gap can be flexibly controlled by the polarization of incident light and the thickness of the dielectric layer between MNP and metal thin films. We have theoretically studied the resonance spectra of polarization-dependent gold ellipsoidal nanoparticles (GENP) and gold thin films in the gap region of NPOM structures. GENP and gold thin films are separated by a dielectric layer with a refractive index of 1.36. We observe that the intensity of the local electric field resonance peak in the gap region is inversely proportional to the polarization angle. Similarly, the intensity of the local electric field resonance peak in the gap region is inversely proportional to the thickness of the dielectric layer. We have obtained more than 2200 V/m local electric field intensity (dielectric layer thickness 0.3nm). Finally, the resonant peak wavelength of the electric field in the gap region of the NPOM structure is also controlled by the polarization angle of the incident light and the thickness of the dielectric layer.

Composite membranes formed by sulfonated poly(ether ether ketone) (SPEEK) with embedded carbon quantum dots (CQDs) were used for detection and removal of heavy metal ions, such as lead and cadmium, from water. SPEEK is responsible for the capture of heavy metals based on the cation exchange mechanism, while CQDs detect their contamination by exhibiting changes in fluorescence. Water-insoluble “red” carbon quantum dots (rCQDs) were synthesized from p-phenylenediamine so that their photoluminescence was shifted from that of the polymer matrix. CQDs and the composites were characterized by several techniques: FTIR, Raman, UV/VIS, photoluminescence, XPS spectroscopies and AFM microscopy. The heavy metal ion concentration was analyzed by inductively coupled plasma–optical emission spectroscopy (ICP-OES). The concentration ranges were 10.8 - 0.1 mM for Pb2+ and 10.0 - 0.27 mM for Cd2+. The composite achieved 100% removal efficiency for lead and cadmium if the concentration was below a half of the ion exchange capacity of SPEEK. The regeneration of membranes in 1 M NaCl was also studied. SPEEK/rCQDs showed a turn-off effect more pronounced for lead. A second order law was effective to describe the kinetics of the process.

Vegetable oils contain fatty acids, phenolic compounds, natural antioxidants, and fat-soluble vitamins, which are beneficial against different diseases. Oil extraction methods can, however, affect their composition. This study aims to characterize the chemical composition of oils from two Andean seeds, cañihua (Chenopodium pallidicaule) and tarwi (Lupinus mutabilis), extracted with different organic solvents, petroleum ether, hexane, and ethanol. This study compares these oils with commercial sunflower, rapeseed, and olive oils. Results showed that oils extracted with hexane had the highest yield, while those extracted with ethanol had higher antioxidant activity and total phenolic compound content. Additionally, using ethanol makes the process more sustainable than non-green solvents. The composition of tarwi and cañahua oils extracted with ethanol includes fatty acids, tocopherols, antioxidants, and phenolic compounds associated with health benefits.

Saffron, renowned for its aroma and flavor, is susceptible to adulteration due to its high value and demand. Current detection methods, including ISO standards, often fail to identify specific adulterants such as safflower or turmeric up to 20% (w/w). Therefore, the quest continues for robust screening methods using advanced techniques to tackle this persistent challenge in safeguarding saffron quality and authenticity. Advanced techniques like Time of Flight Secondary Ion Mass Spectrometry (TOF-SIMS), with its molecular specificity and high sensitivity, offer promising solutions. Samples of pure saffron and saffron adulterated with safflower and turmeric at three levels of inclusion (5%, 10%, and 20%) were analyzed without prior treatment. Spectral analysis revealed distinct signatures for pure saffron, safflower, and turmeric. Through Principal Component Analysis (PCA), TOF-SIMS effectively discriminated between pure saffron and saffron adulterated with turmeric and safflower at different inclusion levels. The variation between the groups is attributed to the characteristic peaks of safflower and the amino group peaks and mineral peaks of saffron. Additionally, a study was conducted to demonstrate that semi-quantification of the level of safflower inclusion can be achieved from the normalized values of its characteristic peaks in the saffron matrix.

The leather industry is one of the most polluting industries in the world due to the large amounts of waste following the raw hides processing, but also due to the high content of chemicals present in their composition. The main problem of chromium-tanned leather solid waste is related to their storage, because of the ability of chromium to leach in soil or water, and also owing to the high ability of trivalent chromium to oxidize to its toxic form, hexavalent chromium. The purpose of this study is to present the latest methods for extracting trivalent chromium from the composition of solid leather wastes. The extraction methods identified in the present study are based on acid/basic/enzymatic hydrolysis and substitution with the help of organic chelators (organic acids and organic acid salts). In addition, the study includes a comparative analysis between the advantages and disadvantages of each identified extraction method. At the same time, the study also presentes alternative chromium extraction methods based on the combination of conventional extraction methods and ultrasound-assisted extraction.

In this study, a new nitrogen-enriched multiwall carbon nanotube is prepared and utilized to stabilize palladium species. After the characterization of this new composite, it was applied as a catalyst in the reduction of nitroarenes and hydrodesulfurization of dibenzothiophene. Using this newly established catalyst, a wide range of aromatic compounds were reduced to the corresponding amines under a very low amount of Pd (0.005 mol%) in short reaction times. Also, dibenzothiophene (a major pollutant in fuel oil) was very efficiently transformed using this catalyst. Its robustness was studied in the recycling process where, after 20 runs in the reduction of 4-nitrotoluene and 5 times in the desulfurization of dibenzothiophene, the activity of the catalyst remained intact. According to the E-factor calculations, the present Pd catalyst meets the standards of green chemistry.

In recent years, long periods of drought and heat waves have become increasingly frequent, causing forest dieback phenomena that make stands more sensitive to biotic stressors. How trees may respond to extreme climatic events and which metabolites are involved under stress conditions is still not clear. In this study, we analysed by SPME how dieback (D) and non-dieback (ND) Hungarian oak trees from the San Paolo Albanese site respond to these climatic dynamics, in terms of volatile organic compounds (VOCs). For each group of trees, three wood samples were taken, each divided into four sub-samples with 5 growth rings, subjected to SPME and increase in basal area (BAI) analysis of the last 20 years. Dieback trees had a lower amount of leaves, and this condition may translate into less photosynthesis, less organic matter production and lower reserves of carbohydrates available for growth. Indeed, D trees showed lower radial increases and a lower content of aldehydes, terpenes, and fatty acids than ND trees, indicating a better health of ND trees compared to D trees. While D trees showed a reduction in terpenes, such as α-pinene, γ-eudesmol, and cyperene (with significant insecticidal activity), a reduction in aromatic aldehydes, such as furfural and 5-methylfurfural, and an increase in silanols (with antimicrobial function). Considering the different compounds’ contents between D and ND trees, our study could be useful for detecting bio-indicators to identify an early warning signal of dieback phenomena.

In this study, a critical review was carried out using the Web of ScienceTM Core Collection database to analyse the scientific literature published to date to identify lines of research and future perspectives on the presence of chemical pollutants in beer brewing. Beer is one of the world's most popular drinks and the most consumed alcoholic beverage. However, a widespread challenge with potential implications for human and animal health is the presence of physical, chemical and/or microbiological contaminants in beer. Biogenic amines, heavy metals, mycotoxins, nitrosamines, pesticides, acrylamide, phthalates, bisphenols, microplastics and, to a lesser extent, hydrocarbons (aliphatic chlorinated and polycyclic aromatic), carbonyls, furan-derivatives, polychlorinated biphenyls and trihalomethanes are the main chemical pollutants found during the beer brewing process. Pollution sources include raw materials, technological process steps, the brewery environment and packaging materials. Different chemical pollutants have been found during the beer brewing process, from barley to beer. Brewing steps such as steeping, kilning, mashing, boiling, fermentation and clarification are critical in reducing the levels of many of these pollutants. As a result, their residual levels are usually below the maximum levels allowed by international regulations.

: In this investigation, the impact of reducing agent concentration on the production of zinc oxide nanoparticles (ZnO NPs) was examined. During the synthesis, an assessment of ionic conductivity was carried out, revealing a significant increase in conductivity prior to the introduction of the reducing agent, followed by a sharp decrease upon its addition. Characterization of the ZnO NPs involved UV-visible spectroscopy, scanning electron microscopy, Fourier infrared spectroscopy, and x-ray diffraction analysis. The outcomes suggest that the characteristics of the ZnO NPs are influenced by the concentration of the reducing agent during the synthesis process. Notably, employing a concentration of 0.5 v/v resulted in the production of nanoparticles with relatively uniform sizes. Conversely, concentrations below 0.5 v/v led to slow formation, while concentrations exceeding 0.5 v/v yielded non-uniform nanoparticles. Furthermore, the ZnO NPs synthesized with a higher concentration of reducing agent exhibited a narrower optical band gap and increased surface energy.

The article presents the results of research on the production of effective inorganic fillers and chemically resistant composite polymer-mineral materials based on industrial waste. The aim of the work is to develop the technological foundations for the production of inorganic fillers and highly filled filling compositions for use in chlorine-containing media. Materials with high resistance to hydrochloric acid are graphite and quartz sand. Thermal power plant (TPP) ash was used as an acid-resistant filler in the compositions. The simplex lattice planning method was used to determine the areas of compositions with the best properties. Two components were selected: formaldehyde rubber resin and mineral filler (TPP ash) as a binder. As the third component, hydrolytically active fillers were used - anhydrite, phosphogypsum and phosphorus production slag. A preliminary operation was performed to remove hygroscopic moisture from the filler.The influence of the nature of mineral fillers on the chemical stability and durability of the obtained composites is investigated. The nature of the interaction of mineral fillers with a polymer binder was determined, and chemical interaction of the hydroxyl groups of the filler and the methyl groups of the polymer took place. The mathematical planning method was used to optimize the chemical resistance and durability of the compositions of the studied substances. Based on the results of this study, optimal compositions of compositions, anhydrite, phosphogypsum and phosphoric slag were selected. These composites, with the highest possible degree of filling, have high target characteristics.

p-type Ag-N dual acceptor doped ZnO thin films with long electrical stability were deposited by DC magnetron reactive co-sputtering technique. After deposition, the films were annealed at 400 °C for one hour in a nitrogen-controlled atmosphere. The deposited films were amorphous. However, after annealing they crystallize in the typical hexagonal wurtzite structure of ZnO. The Ag-N dual acceptors were incorporated substitutionally in the structure of zinc oxide and achieving that the three samples presented the p-type conductivity in the ZnO. Initial electrical properties showed a low resistivity of from 1 to10^{−3} Ω.cm, Hall mobility of tens cm2/V.s and a hole concentration from 10^{17} to 10^{19} cm^{−3}. The electrical stability analysis reveals that the p-type conductivity of the ZnO:Ag,N films is very stable and does not revert to n-type, even after 36 months of aging. These results reveal the feasibility of using these films for applications in short-wavelength or transparent optoelectronic devices.

An innovative superconducting mechanism was developed based on a patented discovery of room temperature superconductivity in several thorium (Th) salts or compounds. The rationale behind this discovery is through the experimental results about the unique electrical and magnetic properties of these Th salts. Accordingly, this new superconducting mechanism for these Th salts was obtained through the analyses of the compounds’ molecular configurations and the packings of their relevant crystal structures. Owing to the distinctive properties of the Th compounds in this discovery, we further established a different electron pairing scheme as opposed to the pairing of the Cooper pairs. Compared to the long distance electron pairing of the Cooper pairs, the new electron pairing in our mechanism is constructed by two closely correlated electrons that reside on the same atomic orbital of the Th cation as an electron lone pair. In this new superconducting mechanism, the Th cation is sitting on a relevant crystallographic lattice arrangement or a network of the relevant Th compounds. This network is constructed by many Th cations along certain crystallographic lattice arrangement where each Th cation contains one electron lone pair. This network allows the electron lone pairs on the Th cations to be delocalized over the network, “in pair”, and thus, reveals the electron lone pair in presence in a long distance fashion. The closely correlated electron lone pairs hop on this network and thus, construct the supercurrent over the network. This explanation about the superconductivity laid the basis for our superconducting mechanism. All these conclusions came from the previous studies about these compounds that illustrated their unusual features of a coexistence of high electrical conductivity and diamagnetism. These electrical and magnetic properties fall in line with that of superconductors but, surprisingly, these Th compounds have such properties at the ambient condition, meaning under room temperature and atmosphere pressure. We expect that this mechanism may be appropriate to be utilized to other superconducting cases, either conventional or unconventional, and therefore, can be adapted to describe the superconducting phenomenon for other superconductors.

Analytical instruments used for scientific research and education are often expensive. This limitation poses a challenge for schools and educators in low-income countries to provide practical science training to students. To address this problem, the improvisation of analytical instruments and instructional materials has emerged as a viable solution. By incorporating practical experiments into science education, students have the opportunity to engage directly with scientific instruments, conduct investigations, and collect data. This hands-on approach fosters a deeper understanding of scientific principles, enhances critical thinking skills, and cultivates scientific mindsets among students. Herein, we review and discuss, step-by-step, the approach of using a smartphone for quantitative analysis, referred to as smartphone digital image colorimetry (SDIC). SDIC, with its practicality and accessibility, utilizes smartphone digital cameras for image acquisition and the freely available image processing programs, such as ImageJ and smartphone Apps, for image quantification. Using SDIC can enable students in low-income countries to develop essential scientific skills, including critical thinking, data interpretation, and an evidence-based approach to scientific research. By leveraging the ubiquity and affordability of smartphone technology, SDIC offers an accessible and cost-effective approach to practical science education, bridging the gap between theory and practice in resource-constrained settings.

Improvement of hydrophysical properties and corrosion resistance of self-compacting concrete to the effects of alternate freezing-thawing and aggressive soils of southern and central Kazakhstan is of interest to a wide range of researchers from the side of practical application of the obtained results in construction practice. It is proposed to form a spatially reinforced fine crystalline structure of cement matrix with maximum dense packing by using a complex modifier (Hyperplasticiser + Polymer + Microsilica + Fibro fibers) in the composition of self-compacting concretes (SCC). The introduction of the calculated amount of the above additives increases the operational reliability of the current SCC compositions, increasing the water resistance to W16, frost resistance to F=500, increasing the compressive strength by 20%, reducing the mass loss of samples during corrosion leaching to 50%. It has been experimentally established that the proposed addition of complex modifier (Hyperplasticiser + Polymer + Microsilica + Fiber fibers) to the SCC composition allows obtaining self-compacting concrete of high quality with improved performance characteristics (compressive strength, water resistance, frost resistance and corrosion resistance). Studies have shown that the complex modifier-modified SCC compositions have a high degree of resistance in aggressive environments and leaching corrosion. Based on the results of the conducted tests, it is possible to recommend the obtained SCC compositions for production of building products working in the zone of alternating freezing-thawing and aggressive soils.

Graphene, a single layer of carbon atoms arranged in a two-dimensional honeycomb lattice, has attracted tremendous attention due to its exceptional properties and diverse applications. Synthesis methods play a crucial role in tailoring graphene's properties for specific applications. This review provides a comprehensive overview of recent advances in graphene synthesis techniques, including chemical vapor deposition (CVD), exfoliation, epitaxial growth, and chemical reduction. We discuss the principles, advantages, challenges, and applications associated with each method. Furthermore, emerging trends and future prospects in graphene synthesis are explored, with a focus on scalability, cost-effectiveness, and environmental sustainability.

Glassy carbon (GC) microelectrodes have been successfully used for detection of electroactive neurotransmitters such as dopamine and serotonin through voltammetry. However, non-electroactive neurotransmitters such as glutamate, lactate, and gamma-aminobutyric acid (GABA) are inherently unsuitable for detection through voltammetry techniques without functionalizing the surface of the microelectrodes. To that end, we present here the immobilization of L-glutamate oxidase (GluOx) enzyme on the surface of GC microelectrodes to enable catalysis of chemical reaction between L-glutamate, oxygen, and water to produce H2O2, an electroactive byproduct that is readily detectable through voltammetry. This immobilization of GluOx on the surface of bare GC microelectrodes and the subsequent catalytic reduction of H2O2 through fast scan cyclic voltammetry (FSCV) helped demonstrate indirect in vitro detection of glutamate, a non-electroactive molecule, at concentrations as low as 10 nM. The functionalized microelectrodes formed part of 4-channel arrays of microelectrodes (30 m x 60 m) on a 1.6 cm long neural probe supported on a flexible polymer, with potential for in vivo applications. The type and strength of the bond between the GC microelectrode surface and its functional groups on one hand, and glutamate and the immobilized functionalization matrix on the other hand, were investigated through molecular dynamics (MD) modeling and Fourier Transform Infrared Spectroscopy (FTIR). Both MD modeling and FTIR demonstrated the presence of several covalent bonds in the form of C-O (carbon-oxygen polar covalent bond), C=O (carbonyl), C-H (alkenyl), N-H (hydrogen bond), C-N (carbon-nitrogen single bond), and C≡N (triple carbon nitrogen bond). Further, penetration tests on agarose hydrogel model confirmed that the probes are mechanically robust with their penetrating forces being much lower than the fracture force of the probe material.

The ability of thermoresponsive polymers to respond to temperature with a reversible conformational change makes them promising ‘smart’ materials for solutions in medical and biotechnological applications. In this work, two such polymers and structural isomers were studied: poly(N-isopropyl acrylamide) (PNiPAm) and poly(2-isopropyl-2-oxazoline) (PiPOx). We compare the critical solution temperatures (CST) of these polymers in D2O and H2O in the presence of Hofmeister series salts, as results obtained under these different solvent conditions are often compared. D2O has a higher dipole moment and electronegativity than H2O, which could significantly alter the CST transition. We used two complementary methods to measure the CST, dynamic light scattering (DLS) and differential scanning calorimetry (DSC), and found that the CST decreased significantly in D2O compared to H2O. In the presence of highly concentrated kosmotropes, the CST of both polymers decreased in both solvents. The influence of the kosmotropic anions was smaller than the water isotope effect at low ionic strengths but considerably higher at physiological ionic strengths. However, the Hofmeister anion effect was quantitatively different in H2O than in D2O, with the largest relative differences observed for Cl-, where the CSTs in D2O decreased more than in H2O measured by DLS but less by DSC. PiPOx was more sensitive than PNiPAm to the presence of chaotropes. It exhibited much higher transition enthalpies and multistep transitions, especially in aqueous solutions. Our results highlight that measurements of thermoresponsive polymer properties in D2O cannot be compared directly or quantitatively to application conditions or even measurements performed in H2O.

The aim of the study was the comparison of conventional sintering versus additive manufacturing techniques for β-TCP bioceramics, focusing on mechanical properties and biocompatibility. A "critical" bone defect requires surgical intervention beyond simple stabilization. Autologous bone grafting is the gold standard treatment for such defects but it has its limitations. Alloplastic bone grafting using synthetic materials is becoming increasingly popular. The use of bone graft substitutes has increased significantly and current research was focused on optimizing these substitutes, whereas this study compares two existing manufacturing techniques and the thereby produced β-TCP implants. The 3D-printed β-TCP hybrid structure implant was fabricated using two components, a column structure and a freeze-foam, which were sintered together. The conventionally manufactured ceramics were made by pouring. Both scaffolds were characterized according to porosity, mechanical properties and biocompatibility. The hybrid structure had a total porosity of 74.4 ± 0.5%. Microporous β-TCP implants had a porosity of 43.5 ± 2.4%, while macroporous β-TCP implants had a porosity of 61.81%. Mechanical testing revealed that the hybrid structure had a compressive strength of 10.4 ± 6 MPa, significantly lower than the microporous β-TCP implant’s with 32.9 ± 8.7 MPa. Biocompatibility evaluations showed a steady increase in cell proliferation over time for all β-TCP implants, with minimal cytotoxicity. This study provides valuable insight into the potential of additive manufacturing for β-TCP bioceramics in the treatment of bone defects.

The Folla Redonda grape is indigenous to the region of Rias Bajas in Galicia, Spain. This grape is distinguished by its characteristic acid flavor and pulp of remarkable coloration. Despite the wine obtained from this grape is highly valued by consumers of this region for its surprising acidic notes and thickness, it is important to note that it is not a variety of Vitis vinifera and its production is not legally regulated. In the present study, an evaluation of the physicochemical properties of the Folla Redonda grape (pH, °Brix, °Bé, density, acidity, sugar content, etc.) as well as its content in bioactive compounds (total polyphenols and anthocyanins) was carried out. Additionally, the antioxidant potential of the extracts obtained from this grape was demonstrated. This study proved the interesting organoleptic characteristics of the grape, along with a high content of compounds of interest and an important antioxidant activity comparable to that of Vitis vinifera grapes. Therefore, the grape's natural consumption and its application in different industries such as nutraceutical or pharmacological would result in an important revaluation of the grape and significant health benefits. In case that the production of wine from this variety is legalized, consumers will not only be able to enjoy a wine with a characteristic dense reddish color and important acid tones, but also with interesting concentrations of bioactive compounds.

Graphene oxide (GO) is considered as one of the promising adsorbents for the removal of various heavy metal contaminants in aquatic environment, due to its beneficial structural, chemical and electronic properties. Using the density functional theory (DFT) approach, we investigate the reactivity of a model GO nanoparticule (C30H14O15) toward neutral and charged lead (Pb) and cadmium (Cd) atoms. We found the model metal-free GO to have a high chemical reactivity. To study the adsorption of the metal atoms on the GO nanoparticle, we have used a single and doubly-adsorbed neutral (Pb0 and Cd0) and charged (Pb2+, Cd2+) atoms. After identified possible adsorption sites on the GO, we found that a single charged metal ion binds more strongly than a neutral atom of the same type. To determine the possibility of multiple adsorptions of GO nanoparticle, two metal atoms of the same species are co-adsorbed on its surface. Our calculations reveals a site-dependent adsorption energy such that when two atoms of the same specie are adsorbed at sites Si and Sj , the binding energy per atom depends on the whether one of the two atoms is adsorbed firstly on the Si or Sj sites. It is also found that the binding energy per atom for two co-adsorbed atoms of the same specie is less than the binding energy of a singly-adsorbed atom which suggests that atoms may become less likely to be adsorbed on the GO nanoparticle when their concentrations increase. This applies to both neutral and charged atoms. We adduce the origin of this observation to be interplay between metal-metal interaction on the one hand and GO-metal on the other, with the former resulting in a less binding for the charged adsorbed metals in particular, due to repulsive interaction between two positively charged ions. The frontier molecular orbitals analysis and the calculated global reactivity descriptors of the respective GO- metal complexes revealed that all the GO-metal complexes have a smaller HOMO-LUMO gap (HLG) relative to that of pristine metal-free GO nanoparticle. This suggests that although the GO-metal complexes are stable, they are less stable compared to metal-free GO nanoparticles. The negative values of the chemical potentials obtained for all the GO-metal complexes further confirms their stability. Our work calculates parameters that will be crucial to rational design of GO nanoparticles for Pb abd Cd ions contaminants removal, and may find application in water purification for example.

Surface treatment of implants facilitates osseointegration, with nanostructured surfaces exhibiting accelerated peri-implant bone regeneration. This study compared bone-to-implant contact (BIC) in implants with hydroxyapatite (HA), sand-blasted and acid-etched (SLA), and SLA with calcium (Ca)-coated (XPEED®) surfaces. Seventy-five disk-shaped grade 4 Ti specimens divided into three groups were prepared, with 16 implants per group tested in New Zealand white rabbits. Surface characterization was performed using X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), digital microscopy, and a contact angle analyzer. Cell viability, proliferation, and adhesion were assessed using MC3T3-E1 cells. Apatite formation was evaluated using modified simulated body fluid (m-SBF) incubation. After 4 weeks of healing, the outcomes reviewed were BIC, bone area (BA), removal torque tests, and histomorphometric evaluation. Microstructure analysis revealed irregular pores across all groups, with the XPEED group exhibiting a nanostructured Ca-coated surface. Surface characterization showed a crystalline CaTiO3 layer on XPEED surfaces, with evenly distributed Ca penetrating the implants. All surfaces provided excellent environments for cell growth. The XPEED and SLA groups showed significantly higher cell density and viability with superior osseointegration than HA (p < 0.05); XPEED exhibited the highest absorbance values. Thus, XPEED surface treatment improved implant performance, biocompatibility, stability, and osseointegration.

Microfiltration membranes derived from semi-crystalline polymers face various challenges when synthesized through the extrusion–casting technique, including the use of large quantities of polymer, long casting times, and the generation of substantial waste. This study focuses on synthesizing these membranes using spin-casting followed by stretch-induced pore formation. Recycled high-density polyethylene (HDPE) and virgin polyethylene powder, combined with a calcium carbonate filler, were used as the source materials for the membranes. The influence of the polymer-filler ratio with and without stretching on the morphology, tensile strength, and water flow rate was investigated. Optimal conditions were determined, emphasizing a balance between pore structure and mechanical integrity. The permeable membrane possessed a mean pore diameter of 500 nm, exhibited a tensile strength measuring 32 MPa, allowed water to flow at a rate of 19 ml/min, and had a water contact angle of 126°. These membranes effectively eliminated suspended particles from water, with their performance evaluated against that of commercially available membranes. This research outlines a synthesis route for microfiltration membranes tailored to semi-crystalline polymers and their plastic forms, utilizing the spin-casting technique.

In recent years, there has been an intensification of weather variability worldwide as a result of climate change. Some regions have been affected by drought, while others have experienced more intense rainfall. The incidence and severity of mouldy grain and mycotoxin contamination during the growing and harvesting seasons have increased as a result of these weather conditions. Addi-tionally, torrential rains and wet conditions may cause delays in grain drying, leading to mold growth in the field. In July 2023, a wheat field in Lecco (Lombardy, Italy) was affected by torren-tial rains that led to the development of the Claviceps fungi. In the field, dark sclerotia were identi-fied on some ears. Wheat ears, kernels and sclerotia were collected and analyzed by LC-MS/MS at IZSLER, Food Chemical Department, in Bologna. The wheat ears, kernels and sclerotia were ana-lyzed for 12 ergot alkaloids (EAs) according to (EU) Regulation 2023/915 (er-gocornine/ergocorninine; ergocristine/ergocristinine; ergocryptine/ergocryptinine; ergome-trine/ergometrinine; ergosine/ergosinine; ergotamine/ergotaminine), after QuEChERS (Z-Sep/C18) purification. The analyzed sclerotia showed significant differences in total alkaloids content that varies between 0.01-0.5% (w/w), according to the results of 2017 EFSA scientific report. EAs de-tected in sclerotia were up to 4951 mg/kg, in wheat ears up to 33 mg/kg, and in kernels were 1 mg/kg. Additional mycotoxins including ochratoxin A, deoxynivalenol, zearalenone, fumonisins, T2-HT2 toxins, and aflatoxins were investigated in wheat kernels, after purification with immu-noaffinity columns (IAC). The analysis revealed the presence of deoxynivalenol in wheat kernels at a concentration of 2251 µg/kg. It is expected that climate change will increase the frequency of extreme weather events. In order to mitigate the potential risks associated with mycotox-in-producing fungi and to ensure the protection of human health, it is suggested to implement of-ficial controls in the field.

This study aimed to develop a laboratory-scale direct air capture unit for evaluating and comparing amine-based adsorbents under temperature vacuum swing adsorption conditions. The experimental campaign conducted with the direct air capture unit allowed for the determination of equilibrium loading, CO2 uptake capacity, and other main performance parameters of the investigated adsorbent Lewatit VP OC 1065®. The investigations also helped to understand the co-adsorption of both CO2 and H2O on the tested material, which is crucial for improving temperature vacuum swing adsorption processes. This was achieved by obtaining pure component isotherms for CO2 and H2O as well as three different co-adsorption isotherm models from literature. It was found that the weighted average dual-site Toth model emerged as the most accurate and reliable model for simulating this co-adsorption behavior. Its predictions closely align with experimental data, particularly in capturing the adsorption equilibrium at various temperatures. It was also observed that this lab-scale unit offers advantages over thermogravimetric analysis when conducting adsorption experiments on the chosen amine. The final aim of this study is to provide a pathway to develop devices for testing and developing efficient and cost-effective adsorbents for direct air capture.

Nowadays, Multi-needle electrospinning has used to be an efficient method for producing nanofiber membranes. But in the process, the fluctuation errors in electrospinning fluid flow rate have directly influence the membrane quality, which bringing instability and still have not been solved yet. For finding out the solution to the inaccurate flow control in multi-needle, it is necessary to develop a multi-stage flow runner spinneret for large-scale production of nanofiber membrane. At first, the paper uses the finite element software COMSOL to numerically simulate the polymer flow in the runner of spinneret. Based on it, the velocity field distribution curve was draw and the velocity instability coefficient of the polymer flow was attained, which are providing theoretical guidance for the optimal design of spinneret. Next, the response surface analysis method (RSM) was used to establish a regression model between the average diameter of the nanofiber membrane and the process parameters. Then, above regression model used to perform variance data processing between the average diameter and the process parameter configuration. After that, the 2D and 3D response surface profiles and the significance analysis were completed. Finally, the stability of the nanofibers production was improved, which attained the optimal adjustment of process configuration in multi-needle electrospinning.

This study presents the chemical synthesis, purification, and characterization of a novel non-natural synthetic amino acid. The compound was synthesized in solution, purified, and characterized using NMR spectroscopy, polarimetry, and melting point determination. Dynamic Light 22 Scattering (DLS) analysis demonstrated its ability to form aggregates with an average size of 391 nm, extending to low micrometric sizes. Furthermore, cellular biological assays revealed its ability to enhance fibroblast cell growth, highlighting its potential for tissue regenerative applications. Circular dichroism (CD) spectroscopy showed the ability of the synthetic amino acid to bind serum albumins (using bovine serum albumin (BSA) as a model), and CD deconvolution provided insights into the changes in secondary structures of BSA upon interaction with the amino acid ligand. Additionally, molecular docking using HDOCK software elucidated the most likely binding mode of the ligand inside the BSA structure. We also performed in silico oligomerization of the synthetic compound in order to obtain a model of aggregate to investigate computationally. More in detail, in the dimer formation achieved by molecular self-docking, two distinct poses were observed, corresponding to the lowest and comparable energies, with one pose exhibiting a quasi-coplanar arrangement characterized by a close alignment of two aromatic rings from the synthetic amino acids within the dimer, suggesting the presence of π-π stacking interactions. In contrast, the second pose displayed a non-coplanar configuration, with the aromatic rings oriented in a staggered arrangement, indicating distinct modes of interaction. Both poses were further utilized in the self-docking procedure. Notably, iterative molecular docking of amino acid structures resulted in the formation of higher-order aggregates, with a model of a 512-mer aggregate obtained through self-docking procedures. This model of aggregate presented a cavity capable of hosting therapeutic cargoes and biomolecules, rendering it a potential scaffold for cell adhesion and growth in tissue regenerative applications. Overall, our findings highlight the potential of this synthetic amino acid for tissue regenerative therapeutics and provide valuable insights into its molecular interactions and aggregation behavior.

Two methods for Pd nanoparticle synthesis were explored with three different carbide-derived carbon (CDC) support materials of which one was nitrogen-doped. These materials were studied for oxygen reduction reaction (ORR) in 0.1 M KOH solution. The prepared CDC/Pd catalysts were characterized using TEM, XRD and XPS. Using these methods, we can observe the influence of support materials for one-pot synthesis methods as we use the standard citrate method and polyol method with polyvinylpyrrolidone (PVP) as a capping agent. Comparing the two methods N-doping of carbon material resulted in smaller nanoparticles only in the case of citrate synthesis, suggesting that the influence of support is weaker using polyol method. Citrate method on CDC1, which was predominantly microporous led to a higher degree of agglomeration and larger particle formation in comparison to CDC2 and CDC3 supports, which possessed higher degree of mesoporosity. Smaller Pd particle sizes were achieved using citrate and NaBH4 in comparison to the ethylene glycol-PVP method. CDC2 and CDC3 did not show significant difference suggesting that the N-doping did not have much of an influence on the ORR. Highest SA value was observed on CDC1/Pd_Cit, which could be attributed to formation of larger particles and agglomerates.

In the present study, a multilayer high barrier thin blown film based on a polybutylene adipate terephthalate (PBAT) blend with polyhydroxyalkanoate (PHA), and composed of four layers, including a cellulose nanocrystals (CNC) barrier layer and an electrospun poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV) hot-tack layer, was characterized in terms of surface roughness, surface tension, migration, mechanical and peel performance, barrier properties and disintegration rate. The results showed a material with a smooth surface. The overall migration test showed that the material was suitable for its use as a food contact layer. The addition of the CNC interlayer had a significant effect on the mechanical properties of the system, drastically reducing the elongation at break and, thus, the flexibility of the material. However, the material retained its elastic modulus and tensile strength. The CNC coating had a negative impact on the peeling strength, weakening the inherently strong interlayer adhesivity of the electrospun PHBV fibers. The multilayer had a good barrier to water vapor, and especially to oxygen, with its permeance reduced by up to a 90 % when the CNC layer was present. Finally, the monolayer blend film disintegrated in a period of less than 55 days in a laboratory-scale composting experiment, while the multilayer system disintegrated in 60 days. Overall, the multilayer system formed a fully compostable structure with great potential for use in food packaging applications.

Porous α-Al2O3 ceramics is a highly demanded material for multitude applications such as filters, substrates, biomedicine materials, etc. Despite the availability of the raw materials, a challenge of their technology is in a high energy budget caused by the sintering above 1500 °C. For a cold sintering processing (CSP) of ceramics, the lowering of α-Al2O3 sintering temperature is one of the most urgent challenges at the background of its rapid development. The current paper for the first time demonstrates the solution of the mentioned problem by the CSP of α-alumina ceramics in a presence of pure water as a transient liquid. The manufactured materials were examined by XRD analysis; the evolution of their microstructures during the CSP was revealed by SEM, and the porosity evaluated by the Archimedes method. The ceramics with an open porosity up to 36 % was produced at 380-450 °C, 220 MPa in 30 min. An increase in the pressure was found to impede α-Al2O3 formation from γ-AlOOH. The development of the microstructure was discussed within the frameworks of the dissolution-precipitation model and the homogenous nucleation. The results of the SEM study pointed to the coalescence of γ-AlOOH grains during the CSP.

Background: Across the world, antibiotic resistance is a grave problem. To address this issue, it is necessary to investigate new antibiotic sources. Aim of the study: Egypt's diverse soil habitats were used to produce bacterial Myxopyronin B, which was then tested for antimicrobial activity in preclinical animal studies and randomized human clinical trials stages 1/2. Type of the study: Screening experimental study. Methodology: Egypt's various soil conditions were examined for the development of bacterial isolates that produced the antibiotic compound Myxopyronin B. Reversed phase HPLC was used to purify Myxopyronin B. To determine the test antibiotic's minimum inhibitory concentration( MIC) and invitro antibacterial activity, the Broth microdilution method and the Paper disc diffusion assay were utilized. Moreover, in vivo antibacterial spectrum, adverse medication responses, and pharmacokinetics were found in preclinical animal testing stages and phases 1/2 of randomized clinical studies involving volunteer humans. Results: Myxopyronin B was generated from the culture supernatant of Myxococcus SDU36, the main soil bacterial isolate cultured on a Casein yeast peptone plate. With MICs less than 100 mcg/ml, the test antibiotic prevented the growth of several Gram +ve bacteria, whereas, at MICs higher than 100 mcg/ml, it inhibited the development of a small number of Gram -ve bacteria, including Escherichia coli. However, eukaryotic cells—such as those found in fungi and humans—were unaffected. The test antibiotic was seen to inhibit prokaryotic DNA-dependent RNA polymerase( RNLP), indicating its bactericidal activity. Mean Cmax was 9-10 mcg/ ml at mean Tmax 1 hour when 600 mg dose was orally administered in randomized human clinical trials phases 1/2, and T1/2 reached 2.25 hours following first-order kinetics of elimination. Duration of its action was nearly 8 hours after oral administration. Rare toxicity was detected during preclinical and randomized human clinical trials phases 1/2 in the form of mild diarrhea and GI upset in less than 7 % of experimental candidates. It exhibited approximately 90% plasma protein binding, especially with albumin which resulted in prolonged therapeutic action. It showed a concentration dependant antibiotic killing effect. With the concentration-dependent killing pattern, the higher the drug concentration relative to the pathogen minimum inhibitory concentration( MIC), the greater the rate and extent of antimicrobial activity. Conclusion: The present study was promising due to the production of the bactericidal antibiotic Myxopyronin B from Myxococcus sp. SDU36 isolated from different soil environments in Egypt.

New dimers of selected dipyridothiazines with an m-xylene linker have been designed, synthesized and characterized. Their structure was identified using 1H and 13C NMR as well as 2D NMR techniques (COSY, ROESY, HSQC and HMBC experiments) and HR MS spectrometry. The compounds were subjected to preliminary in silico biological profile tests using the Way2Drug server and analysis of the probable cytotoxic effect on various cancer cell lines. Preliminary in vitro cytotoxicity tests were performed against normal cell lines (HaCaT) and five cancer cell lines (SW480, SW620, MDA-MB-231, A-549, LN-229) showing moderate activity. An analysis of the structure-activity relationship was performed.

The existences of the N→C dative bonds in the complexes between N-containing molecules and fullerenes have been verified both theoretically and experimentally. However, finding stable N→C dative bonds is still a highly challenging task. In this work, we investigated computationally the N→C dative bonds in the complexes formed by fullerene C60 with 1,2,5-chalcogenadiazoles, 2,1,3-benzochalcogenadiazoles and 1,2,4,5-chalcogenatriazoles, respectively. It was found that the N→C dative bonds are formed along with the formation of the N–Ch···C (Ch = S, Se, Te) chalcogen bonds. In the gas phase, from S-containing complexes through Se-containing complexes to Te-containing complexes, the intrinsic interaction energies become more and more negative, which indicates that the N–Ch···C chalcogen bonds can facilitate the formation of the N→C dative bonds. The intrinsic interaction energies are compensated by the large deformation energy of fullerene C60. The total interaction energies of Te-containing complexes are negative, while both of the total interaction energies of S-containing complexes and Se-containing complexes are positive. This means that the N→C dative bonds in the Te-containing complexes are more easily observed in experiments in comparison with those in the S-containing complexes and Se-containing complexes. This study provides a new theoretical perspective on the experimental observation of the N→C dative bonds in the complexes involving fullerenes. Further, the formation of stable N→C dative bonds in the complexes involving fullerenes can significantly change the properties of fullerenes, which will greatly simulate and expand the application range of fullerenes.

The interest in lipid composition profiling is significantly increasing as research reveals the immense importance of lipids in medicine, plant science, food and agriculture. However, lipidomic analysis requires high-end specialty equipment. We used two-dimensional thin-layer chromatography (2D TLC) as a readily available, low-cost tool for basic lipidomic profiling of lipid classes in algal samples as model: Chlamydomonas reinhardtii, Auxenochlorella protothecoides, and Euglena gracilis. Algal lipid extracts were separated on a 2D-TLC plate, and TLC analysis was followed by scraping individual TLC spots off the plate, and a subsequent liquid chromatography separation and tandem mass spectrometry (LC-MS/MS) analysis. For comparison, crude lipid extracts were also injected directly to the LC-MS/MS system. Lipid class annotation was achieved by a combination of accurate mass, retention time information, neutral loss and fragment ion analysis by MS2Analyzer, and by matching spectra to LipidBlast MS/MS library. Overall, we were able to identify 15 lipid classes, and to adequately profile the lipid classes in all three organisms. This TLC method is thus suggested as an accessible tool for lipid class profiling of algal, plant, and food lipids, alike, when a rapid and simple analysis is required, e.g., for screening purposes.

Chamazulene (CA) is an intensely blue molecule with a wealth of biological properties. In cosmetics chamazulene is exploited as a natural coloring and soothing agent. CA is unstable and tends to spontaneous degradation accelerated by light. We studied the photodegradation of CA upon controlled exposure to UVB-UVA irradiation by multi-ple techniques, including GC-MS, UHPLC-PDA-ESI-MS/MS and by direct infusion in ESI-MSn, which were matched to in silico mass spectral simulations to identify degra-dation products. Seven byproducts formed upon UVA exposure for 3 h at 70mW/cm2 (blue-to-green color change) were identified, including CA dimers and CA benzenoid which were not found on extended 6 h irradiation (green-to-yellow fading). Photosta-bility tests with reduced irradiance conducted in various solvents in the pres-ence/absence of air indicated highest degradation in acetonitrile in the presence of ox-ygen, suggesting a photo-oxidative mechanism. Testing in the presence of antioxidants (tocopherol, ascorbyl palmitate, hydroxytyrosol, bakuchiol, γ-terpinene, TEMPO and their combinations) indicated highest protection by tocopherol and TEMPO. Sun-screens ethylhexyl methoxycinnamate and particularly Tinosorb® S (but not octo-crylene) showed good CA photoprotection. Thermal stability tests indicated no degra-dation of CA in acetonitrile at 50°C in the dark for 50 days; however, accelerated deg-radation occurred in the presence of ascrorbyl palmitate.

In the present work, diamond films have been grown on GaN-on-Sapphire substrates by chemical vapor deposition (CVD) with the addition of nitrogen to the standard H2/CH4 precursor recipe. Diamond on GaN materials processing is not straight-forward, as GaN is susceptible to a quasi-pure hydrogen CVD plasma etching. 1%, 3% and 5% N2 gas was gradually added to the H2 gas with fixed 6% CH4 in the recipe to promote the growth of diamond nanocrystals. Different types of microstructures were produced, with addition of nitrogen to the precursor gas recipe. Nitrogen gas changes the diamond film microstructure from faceted to spherical grains, with signs of GaN etching. The sp3 bonded diamond film produced by nitrogen addition was found to be co-deposited along with a considerable amount of other non-diamond carbon phases (D - disordered graphite, G - crystalline graphite, TPA - trans-polyacetylene) and qualitatively all the diamond films were 50% pure (Raman peak ratio Isp3 / ID). The FWHM of the sp3 carbon Raman peak was calculated to be 6.5 cm-1, when there was no nitrogen gas in the precursor recipe, which deteriorates to a large extent after successive addition of N2. Fourier transform infrared spectroscopy (FTIR) showed a strong presence of the nitrogen related defects (peak positions at 1190 and 1299 cm-1) inside the nanocrystalline diamond (NCD) films grown with N2 addition. GaN layer etching from the base substrate by the CVD plasma was clearly evidenced by energy dispersive X-ray spectra (EDS) of the deposited films. Al elemental EDS peaks from the base sapphire substrate were observed for the films grown with nitrogen addition, but no Ga EDS peaks were detected. X-ray diffraction (XRD) micrographs further supported the enhanced GaN etching phenomenon. Nitrogen addition was thus found to be detrimental for growing CVD diamond films over GaN surfaces. The electrical resistivity of the uncoated GaN was initially measured to be 22.2 Ω-cm. However, the resistivity rose to 1.59×106 Ω-cm after the nitrogen assisted film deposition; due to the GaN etching - thereby exposing the underlying insulating sapphire substrate.

Cancer cells show altered antioxidant defense systems, dysregulated redox signaling, and increased generation of reactive oxygen species (ROS). Targeting cancer cells through ROS-mediated mechanisms has emerged as a significant therapeutic strategy due to its implications in cancer progression, survival, and resistance. Extensive research has focused on selective generation of H2O2 in cancer cells for selective cancer cell killing by employing various strategies such as metal-based prodrugs, photodynamic therapy, enzyme-based systems, nano-particle mediated approaches, chemical modulators, and combination therapies. Many of these H2O2-amplifying approaches have demonstrated promising anticancer effects and selectivity in preclinical investigations. They selectively induce cytotoxicity in cancer cells while sparing normal cells, sensitize resistant cells, and modulate the tumor microenvironment. However, challenges remain in achieving selectivity, addressing tumor heterogeneity, ensuring efficient delivery, and managing safety and toxicity. To address those issues, H2O2-generating agents have been combined with other treatments leading to optimized combination therapies. This review focuses on various chemical agents/approaches that kill cancer cells via H2O2-mediated mechanisms. Different categories of compounds that selectively generate H2O2 in cancer cells are summarized, their underlying mechanisms and function are elucidated, preclinical and clinical studies as well as recent advancements are discussed, and their prospects as targeted therapeutic agents and their therapeutic utility in combination with other treatments are explored. By understanding the potential of these compounds, researchers can pave the way for the development of effective and personalized cancer treatments.

In this exploratory work, we have examined the impact of an external static electric field on the H2 storage capacity of clathrate hydrates. To this end, we have chosen the 512 clathrate hydrate and examined the encapsulation of 1 - 4 H2 molecules within it. Results suggest that with the help of moderate electric fields (±0.10 to ±0.31V/Å), the encapsulation of 1 H2 molecule within the 512 clathrate hydrate becomes thermodynamically more favorable. In the cases of 4H2@512 and 2H2@512, however, the concerned processes become thermodynamically more favorable only when the field is applied along a specific direction. No favorable outcome could be observed in the case of 3H2@512, irrespective of the direction of the applied field. It appears from the results obtained herein that it might be possible to design a suitable external electric field to facilitate the hydrogen storage capacity of clathrate hydrates at ambient conditions, at least in certain cases.

Silver ion (Ag+) are recognized for their potent antibacterial properties; however, their utilization in food preservation is restricted by factors such as inadequate stability, a transient antibacterial impact, and the potential for human absorption. Hydrogel-based antibacterial agents are capable of exerting their antibacterial effects by establishing appropriate microenvironments, which facilitate the efficient delivery of antimicrobial molecules to the contaminated regions of food. In previous studies, we observed that chitosan (CS) and silver nitrate (AgNO3) were able to reduce Ag+ to silver nanoparticles (AgNPs) with enhanced antibacterial properties. This not only significantly extended the stability of the antibacterial agent but also demonstrated exceptional inhibitory capabilities against pathogenic bacteria, including common grape contaminants such as P. expansum, A. niger, and B. cinerea. Utilizing ultrasound-induced complexation technology, this study has successfully synthesized a chitosan-silver (CS-AgNPs) hydrogel. The efficacy of this hydrogel against the pathogenic fungus responsible for jujube black spot disease has been thoroughly investigated. The morphology structures of CS-AgNPs hydrogels were characterized by TEM, FTIR and UV-vis. The results indicated that AgNPs ranging from 80 to 110 nm were uniformly dispersed within the gel matrix and remained stable for extended periods at room temperature. In vitro antibacterial assays and fractional inhibitory concentration index (FICI) studies revealed that the pronounced antibacterial efficacy of the CS-AgNPs hydrogel was primarily attributed to the additive antibacterial effect of CS and AgNPs. These insights underscore the significant potential of CS-AgNPs hydrogels in combating fungal diseases of jujube, offering innovative strategies and materials for the management of agricultural pathogens.

Deep eutectic solvents (DESs) have emerged as viable alternatives to the toxic organic solvents. The most intriguing aspect of these solvents is perhaps the widely varying physicochemical properties emerging from the changes in the constituents that form DESs along with their composition. Based on the constituents, a DES can be hydro-philic/polar or hydrophobic/non-polar rendering vastly varying spectrum of polarity a possibility. DESs formed by mixing urea (U) with hydrated lanthanide salts, lanthanum nitrate hexahydrate (La : U), cerium nitrate hexahydrate (Ce : U), and gadolinium nitrate hexahydrate (Gd : U), respectively, exhibit very high polarity as manifested via probe-reported empirical parameters dipolarity/polarizability (π*). The highest π* of 1.70 exhibited by the DES (Gd : U) in 1 : 2 molar ratio is unprecedented. The π* ranges from 1.50 to 1.70 for these DESs, which is almost the highest reported for any solvent system. The π* decreases with increasing urea in the DES, however, the anomalous trends in H-bond donating acidity (α) and H-bond accepting basicity (β) appear to be due to the hydrated water of the lanthanide salt. The emission band maxima of fluo-rescence probe of “effective” dielectric constant (εeff) of the solubilizing media, py-rene-1-carboxaldehyde (PyCHO), in salt-rich DESs reflect higher cybotactic region di-polarity than even that offered by water. Probe Nile red aggregates readily in these DESs to form non-fluorescent H-aggregates; a characteristic of highly polar solvents. Behavior of probe pyranine also corroborates these outcomes as the (lanthanide salt : urea) DES system supports the formation of deprotonated form of the probe in the excited-state. The (lanthanide salt : urea) DES system offers solubilizing media of exceptionally high polarity, which is bound to expand their application potential.

Monodisperse and semi-facetted ultra-small templated mesoporous silica nanoparticles (US-MSN) of 20-25 nm were synthesized using a short-time hydrolysis of tetraethoxysilane (TEOS) at room temperature followed by a dilution for nucleation quenching. According to dynamic light scattering (DLS), a two-step pH adjustment was necessary for growth termination and colloidal stabilization. The pore size was controlled by cetyltrimethylammonium bromide (CTAB) and the tiny amount of neutral surfactant F127 was added for minimizing the coalescence between US-MSN and favoring the transition towards internal ordering. Flocculation eventually occured allowing to harvest a powder by centrifugation ( 60% silica yield after one month). The scanning transmission electron microscopy (STEM) and 3D high-resolution transmission electron microscopy (3D-HR-TEM) images revealed that the US-MSNs are partially ordered. The 2D FT transmorm images evidences the coexistance of four, five and sixfold patterns characterizing an “on-the-edge” crystallization step between amorphous raspberry and hexagonal pore array morphologies, typical of a protocrystalline state. Calcination preserved this state and yields a powder characterized by a packing developping a hierarchical porosity centered at 3.9 ± 0.2 (internal pores) and 68 ± 7 nm (packing voids) of high potential as support for separation and catalysis.

In this study, we demonstrate the direct preparation of dihalo-γ-lactams featuring two distinct halogens from dichloroamides using a novel Atom Exchange Radical Cyclization (AERC) procedure. This method integrates the established Atom Transfer Radical Cyclization with halogen exchange in solution. The technique operates under mild conditions and requires little amounts of metallic copper, serving as both a supplemental activator and reducing agent.

This investigation explores the potential of enhancing aqueous zinc-ion batteries (AZIBs) through the introduction of a novel cathode material, NH4V4O10 (NVO), combined with redox graphene oxide (rGO). Utilizing Density Functional Theory (DFT), it was hypothesized that the incorporation of rGO would increase the interlayer spacing of NVO and diminish the charge transfer interactions, thus promoting enhanced diffusion of Zn2+ ions. These theoretical predictions were substantiated by experimental data acquired from hydrothermal synthesis, which indicated a marked increase in interlayer spacing. Significantly, the NVO-rGO composite exhibits remarkable cyclic durability, maintaining 94.54% of its initial specific capacity of 506.9 mAh g−1 after 600 cycles at a current density of 5 A g−1. The electrochemical performance of NVO-rGO not only surpasses that of pristine NVO but also outperforms the majority of existing vanadium oxide cathode materials reported in the literature. This study underscores the effective integration of theoretical insights and experimental validation, contributing to the advancement of high-performance energy storage technologies.

Recently, polyacetylene (PA) is receiving a renewed scientific attention because of its unique properties potentially useful also for 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.). Poly(vinyl alcohol) (PVOH) is a very common type of polymer, widely exploited in different technological areas, and it can be used as a precursor for the PA synthesis. Here, a new scheme for a large-scale chemical synthesis of PA, based on a simple and low-cost PVOH dehydration reaction by absolute sulfuric acid, has been developed. In this process, PVOH, shaped in form of film, is dipped in absolute sulfuric acid (i.e., H₂SO₄ at 95-97%) and, after complete chemical-dehydration at room temperature, it is mechanically removed from the liquid phase by using a plastic sieve. This reaction leads to a complete 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. To the best of our knowledge, this very easy and effective PA synthesis method based on the PVOH chemical-dehydration reaction by absolute sulfuric acid has never been described in the literature.

Non-enzyme-catalyzed thiol addition onto the α,β-unsaturated carbonyl system is associated with several biological effects. Kinetics and diastereoselectivity of non-enzyme catalyzed nucleophilic addition of GSH and NAC to the six-membered cyclic chalcone analogs 2a and 2b were investigated at different pH values (pH 3.2, 7.4 and 8.0). The selected compounds displayed in vitro cancer cell cytotoxicity (IC50) of different orders of magnitude. The chalcones intrinsically reacted with both thiols under all incubation conditions. The initial rates and compositions of the final mixtures depended both on the substitution and the pH. The stereochemical outcome of the reactions was evaluated by HPLC-UV method. The structure of the formed thiol-conjugates and the retro-Michael products (Z)-2a and (Z)-2b were confirmed by HPLC-MS. The frontier molecular orbitals and the Fukui function were carried out to investigate their effects on the six-membered cyclic analogs. Data were compared with those obtained with the open-chain (1) and the seven-membered (3) analogs. The observed reactivities do not directly relate to the difference in in vitro cancer cell cytotoxicity of the compounds.

This study presents a detailed computational investigation aimed at identifying and evaluating potential small organic molecular scaffolds as inhibitors targeting the Pks13 protein, a critical enzyme in tuberculosis (TB) drug discovery. Our approach integrates multiple computational techniques, including quantitative structure-activity relationship (QSAR) modelling, compound library generation, molecular docking, biological activity prediction, re-evaluation of screened compounds, molecular dynamics (MD) analysis, and binding free energy estimation using the MM-GBSA approach. We developed a robust QSAR model using multiple linear regression (MLR) techniques, specifically tailored to predict the minimum inhibitory concentration (MIC) values of potential anti-TB agents. This model demonstrated excellent predictive performance, validated through rigorous internal and external validation procedures. Through molecular docking simulations, we identified five promising inhibitors Ethyl (R,Z)-2-(2-((2-chlorobenzyl) oxy)benzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-thiazolo [3,2-a] pyrimidine-6-carboxylate (PKD1), (7R,9aR)-7-(2-hydroxyphenyl)-4-(2-methoxyphenyl)-3-methyl-7,8,9,9a-tetrahydroisoxazolo[5,4-b]quinolin-5(6H)-one (PKD2), (7-(4-methoxy phenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)(4-(3-(trifluoromethyl)phenyl) piperazin-1-yl)methanone (PKD3), (8S,10S)-10-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl tetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetra-hydrotetracene-5,12-dione (PKD4), 3-(3,4-dimethylphenyl)-5-((2-(4-fluorophenyl)-2-oxoethyl) thio)-6-phenyl-2-thioxo-2,3,5,7a-tetrahydrothiazolo[4,5-d]pyrimidin-7(6H)-one (PKD5)with high binding affinities, prioritizing them based on their binding energies. These selected compounds were further assessed for their biological activity predictions, guiding the selection of candidates for experimental validation. Subsequent re-evaluation using absolute binding free energy estimation and MD simulations provided insights into the stability and dynamics of the protein-ligand complexes over time. Our findings highlighted the potential of identified compounds as stable binders within the Pks13-TE domain binding pocket, underscoring their viability as drug candidates. Additionally, binding free energy analysis using MM-GBSA reaffirmed the strong affinity of the proposed compounds towards Pks13. Our integrated computational approach offers a systematic and detailed framework for the identification and characterization of potential Pks13 inhibitors with specific relevance to TB drug discovery.

Deep eutectic solvents have emerged as a greener alternative and have attracted so much interest in the last two decades. This paper present alternative synthesis method to classical heating-stirring. The ultrasound method is one of the most promising syntheses DESs in terms of yield and energy. So, ultrasound synthesis method was studied to obtain hydrophobic (Aliquat 336: L-Menthol 3:7; Li-docaine: decanoic acid 1:2) and hydrophilic DESs based on Choline chloride and urea, ethylene glycol and oxalic acid. The physical characterization of DESs by comparison of FTIR spectra no show difference between DESs obtained by heating-stirring and ultrasound synthesis methods. The RMN spectra of the DESs obtained by heating-stirring revealed the DESs formation. Density and viscosity properties of DESs were evaluated. The density values are similar for both synthesis methods. However, lower viscosity values are obtained to the hydrophilic DESs prepared by ul-trasound methods.

Abstract: Petrol is considered the most common fire accelerant. However, the identification and classification of petrol sources through the years has been proven to be a challenging field in the investigation of fire debris analysis. This research explored the possibility of identifying petrol sources by high field NMR methods accompanied by ML (Machine Learning). The automated identification and classification of petrol brands were achieved for first time based on the ML clas-sification model developed in this research. A hierarchical classification model was constructed using local classifiers to categorize neat or weathered petrol into its sources.

The atomic structures of Zn and Na borophosphate glasses were studied by X-ray and neutron diffraction. Peaks assigned to the B−O, P−O, and O−O distances confirm that only BO4 units co-exist with the PO4 tetrahedra. The Zn−O and Na−O coordination numbers are found to be a little larger than four. The narrowest peaks of the Zn−O first-neighbor distances exist for the glasses along a line connecting the Zn(PO3)2 and BPO4 compositions (50 mol% P2O5) which is explained by networks of ZnO4, BO4, and PO4 tetrahedra with twofold coordinated oxygens. Calculated amounts of the available oxygen support this interpretation. Broadened peaks occur for glasses with lower P2O5 contents, consistent with the presence of threefold coordinated oxygens. The two distinct P−O peak components of the Zn and Na borophosphate glasses differ in their relative abundances which is interpreted by Na+ cations that coordinate oxygens in some P−O−B bridges, something not seen for the Zn2+ ions.

The radiation-induced optical absorption at 1.5-5.5 eV (up to the beginning of fundamental absorption) has been analyzed in CVD diamond disks exposed to 231-MeV 132Xe ions with four fluences from 1012 to 3.81013 cm-2. The 5-mm diameter samples (thickness 0.4 mm) were prepared by Diamond Materials, Freiburg (Germany), average grain size at growth site was around 80 m, the range of xenon ions was R= 11.5 m. The intensity of several bands grows with ion fluence thus confirming radiation-induced origin of the defects responsible for these bands. The recovery of radiation damage has been investigated via isochronal (stepwise) thermal annealing procedure up to 650°C, while all spectra were measured at room temperature. Based on these spectra, the annealing kinetics of several defects, in particular carbon vacancies (GR1 centers with a broad band 2 eV) and complementary C-interstitial-related defects ( 4 eV), as well as vacancies located nearby nitrogen substitutional atoms (narrow bands around 2.5 eV) have been constructed. The experimental kinetics have also been analyzed in terms of the diffusion-controlled bimolecular reactions. The migration energies of tentatively interstitial atoms (mobile components in recombination process) are obtained, their dependence on the irradiation fluences is discussed.

In a previous study we could show a change of membrane morphology and gas separation performance by varying the recipe of a casting solution based on polysulfone in a determined solvent system. Although all results were very reproducible, all used solvents were harmful and not sustainable. In this study therefore, the solvents tetrahydrofuran (THF) and N,N-dimethylacetamide (DMAc) are replaced by the more sustainable solvents 2-methyl-tetrahydrofuran (2M-THF), N-butyl pyrrolidinone (NBP) and cyclopentyl methyl ether (CPME). The gas permeation performance and for the first time morphology of the membranes before and after solvent replacement were determined and compared by single gas permeation measurements and SEM microscopy. It is shown, that THF can be replaced by 2M-THF and NBP without decreasing the gas permeation performance. With CPME replacing THF no membranes were formed. Best gas permeation results showed systems with 2M-THF as THF alternative. Permeances for the tested gases oxygen (O2), nitrogen (N2), carbon dioxide (CO2) and methane (CH4) were 2.66·10-4, 3.89·10-5, 1.53·10-3 and 4.52·10-5 mL(STP)/cm²·min·bar, respectively. permselectivities of those membranes for the gas pairs O2/N2, CO2/N2 and CO2/CH4 were 6.7, 38.3 and 34.0, respectively. When additionally replacing DMAc in the solvent system no or only porous membranes were obtained, even if the precipitation procedure was adjusted. These findings indicate that a complete replacement of the solvent system without affecting the membrane morphology or gas permeation performance is not possible. By varying the temperature of the precipitation bath an easy adjustment to mechanically stable PSU membranes is possible, if just THF was replaced by 2M-THF.

The corrosion inhibition behavior of cetyl pyridinium chloride (CPC) on mild steel (MS) in 0.5 M H₂SO₄ solution was examined using the weight loss method and potentiodynamic polarization method. The experimented MS surface was characterized by Fourier Transform Infrared Spectroscopy (FTIR), Field Emission Scanning Electron Microscopy (FESEM), and Atomic Force Microscopy (AFM). Corrosion rate and corrosion efficiency was calsulated via weight loss and potentiodynamic polarization methods where the corrosion rate in 0.5 M H₂SO₄ , 0.000192 M, and 0.0077 M of CPC solution was 12.09×10^-3, 8.23×10^-3, 6.63×10^-5 (mm/Year), respectively and the inhibition efficiency of 94.42% and 98.54%. FESEM studies demonstrated the corrosion attack on MS surface. Also, the EDX showed the presence of nitrogen of CPC. Thus, CPC acts as an important corrosion inhibitor.

Heavy metals constitute pollutants particularly common in air, water, and soil. They are present in both urban and rural environments, on land and in marine ecosystems, causing serious environmental problems since they do not degrade easily, remain almost unchanged for long periods, and bioaccumulate. Detection, though especially quantification, is a systematic process as monitoring of their levels needs to be carried out at regular intervals since there is often seasonal variation. The need for rapid and low-cost determination of metals is therefore considerable. In the present study atomic absorption spectroscopy (AAS), using a flame or graphite furnace, and square wave anodic stripping voltammetry (SWASV), using a bismuth thin film electrode, a sensitive voltammetric method is being compared and analytically validated. Atomic absorption spectroscopy (AAS) represents a well-established analytical technique while anodic stripping voltammetry is being criticized for its applicability in complicated sample matrices such as soil samples. This sample-handling challenge is being investigated in the present study. The results show that both methods AAS and ASV were satisfactorily correlated and showed that the concentration of metals is lower than the limit values, but with increasing trend. Therefore, continuous monitoring of metal levels in the urban complex of the city is necessary and a matter of great importance. Regarding Cd, the detection limits of Cd are lower compared to those of AAS when using the graphite furnace, while an overestimation was noted when using flame-AAS in comparison with those found with SWASV. The SWASV method has the advantage of being cheaper and faster, enabling the simultaneous determination of heavy elements across the range of concentrations that these elements can occur in Mediterranean soils. Additionally, we applied a dsDNA-modified electrode which can be used in the speciation analysis of Cu(I) and Cu(II). The changes in the characteristic peaks of guanine and adenine can be applied in the redox speciation analysis of copper in soil which represents an issue of great importance.

To achieve n-type doping in diamond, extensive investigations employing first principles have been conducted on various models of phosphorus doping and boron-phosphorus co-doping. The primary focus of this study is to comprehensively analyze the formation energy, band structure, density of states, and ionization energy of these structures. It is observed that within a diamond structure solely composed of phosphorus atoms, the formation energy of an individual carbon atom is excessively high. However, the substitution of two carbon atoms leads to the conversion of diamond into a p-type semiconductor. Upon examining the P-B co-doping structure, it is revealed that the doped impurities exhibit a tendency to form more stable cluster configurations. As the separation between the freely doped atoms and the cluster impurity structure increases, the overall stability of the structure diminishes, consequently resulting in an elevation of the ionization energy. Analysis of the electronic density of states demonstrates that the electron orbit of the B atom makes negligible contributions to the impurity levels during P-B doping.

An innovative superconducting mechanism was developed based on a patented discovery of room temperature superconductivity in several thorium (Th) salts or compounds. The rationale behind this discovery is through the experimental results about the unique electrical and magnetic properties of these Th salts. Accordingly, this new superconducting mechanism for these Th salts was obtained through the analyses of the compounds’ molecular configurations and the packings of their relevant crystal structures. Owing to the distinctive properties of the Th compounds in this discovery, we further established a different electron pairing scheme as opposed to the pairing of the Cooper pairs. Compared to the long distance electron pairing of the Cooper pairs, the new electron pairing in our mechanism is constructed by two closely correlated electrons that reside on the same atomic orbital of the Th cation as an electron lone pair. In this new superconducting mechanism, the Th cation is sitting on a relevant crystallographic lattice arrangement or a network of the relevant Th compounds. This network is constructed by many Th cations along certain crystallographic lattice arrangement where each Th cation contains one electron lone pair. This network allows the electron lone pairs on the Th cations to be delocalized over the network, “in pair”, and thus, reveals the electron lone pair in presence in a long distance fashion. The closely correlated electron lone pairs hop on this network and thus, construct the supercurrent over the network. This explanation about the superconductivity laid the basis for our superconducting mechanism. All these conclusions came from the previous studies about these compounds that illustrated their unusual features of a coexistence of high electrical conductivity and diamagnetism. These electrical and magnetic properties fall in line with that of superconductors but, surprisingly, these Th compounds have such properties at the ambient condition, meaning under room temperature and atmosphere pressure. We expect that this mechanism may be appropriate to be utilized to other superconducting cases and therefore, can be adapted to describe the superconducting phenomenon for other superconductors.

Reducing CO2 emissions is urgently needed to slow down the impacts of climate change. CO2 capture using an amine solution has been developed and implemented on pilot and commercial scales. However, amine scrubbing, in particular, produces a lot of degraded solvent as waste and is energy intensive. Solid sorbents have been called to overcome those drawbacks. In this work, waste biomass-derived carbon materials were developed and tested for CO2 capture and conversion. Advanced thermal chemical processes i.e. hydrothermal and pyrolysis were applied to produce materials from agri-food waste such as soybean and okara. It was found that the number of functional groups (-C=O and -OH) in activated carbon appears in the synthesized materials, implying the generation of surface oxygenated groups. Preliminary results showed that the synthesized activated carbons are obtained with good yields, and a relatively high surface area, which may be applied as CO2 adsorption materials to solve the CO2 emission problems.

CuAl8Fe5Ni4Zn4Sn1 (OF 2238) is a new lead-free copper alloy for plain bearing applications that was first officially presented in a scientific journal in 2020. Soon after its invention, the use of the alloy for connecting rod bushings in heavy duty internal combustion engines was promoted and validated with customers. The aim of this article is to describe the material properties of the new alloy in more detail than previously and explain how the advantageous properties of CuAl8Fe5Ni4Zn4Sn1 are generated. At the beginning of the article, the general development trends in the field of copper alloys for sliding applications are presented. This is followed by a presentation of the latest research results about CuAl8Fe5Ni4Zn4Sn, before concluding with a brief summary and future outlook, emphasizing on the fact that recent trends in copper-based sliding applications show great additional potential for further material developments.

The new hybrid composite materials for PEM fuel cell were synthesized by UV-polymerization of acrylic monomers (acrylonitrile (AN), acrylic acid (AA), ethylene glycol dimethacrylate (EGDMA)) and sulfo aromatic monomer – sodium styrene sulfonate (SSS), and tetraethoxysilane/3-methacryloxypropyltrimethoxysilane (TEOS/MAPTMS)-based sol-gel system. By means of X-ray spectroscopy fractal structure of the obtained materials was characterized. Proton conductivity and viscoelastic properties of the materials were investigated depending on the content of inorganic component in nanocomposites. On the basis of impedance studies, an equivalent scheme is proposed that successfully describes the proton conductivity in the synthesized composite electrolyte membranes.

In recent years, the chiral biological effects of nanomedicines have become a subject of widespread interest. The research focus has been on understanding the influence of material chirality on cellular transcription and metabolism. Stress granules are membraneless organelles formed through liquid-liquid phase separation of G3BP1 proteins and related compartments. They have been extensively studied and proven to be closely associated with cellular damage repair and metabolism. However, the role and mechanism of chiral nanomaterials in modulating stress granules remain unknown. The aim of this study was to investigate the expression and structural characteristics of stress granules under the individual influence of chiral nanomaterials and in combination with chemotherapy. To achieve this, we constructed a library of chiral ligand-modified materials and employed immunofluorescence, live-cell imaging, and fluorescence recovery after photobleaching assays. We also used proximity labeling techniques combined with proteomics analysis to identify the protein corona adsorbed on the surface of the nanomaterials and explore their relationship with nanomaterial chirality. Our results demonstrate that the assembly of stress granules is chiral-dependent and can be regulated by chiral nanomaterials. Furthermore, we achieved enhanced chemotherapy sensitivity in cancer cells and protected normal cells by exploiting the chiral-dependent modulation of material assembly in stress granules. This study provides important insights into the regulation of membraneless cellular structures based on chiral biological effects.

Our environment has been significantly impacted by man-made pollutants, primarily due to industries make substantial use of synthetic chemicals, resulting in significant environmental consequences. In this research investigation, the co-precipitation approach was employed for the synthesis of cellulose-based ferric oxide (Fe₂O₃/cellulose) and copper oxide nanoparticles (CuOx-NPs). Scanning electron microscopy (SEM) analyses were conducted to determine the properties of the newly synthesised nanoparticles. Furthermore, the synthesized nanoparticles were employed for eliminating chromium from aqueous media under various conditions, including temperature, contact time, adsorbent concentration, adsorbate concentration, and pH. Additionally, the synthesised materials were used to recover Cr(VI) ions from real samples, including tap water, seawater, and industrial water, and the adsorptive capacity of both materials evaluated under optimal conditions. The synthesis of Fe₂O₃/cellulose and CuOx-NPs proved to be effective, as indicated by the outcomes of the study.

Developing clinically meaningful nanomedicines for cancer therapy requires the drugs to be effective, safe, simple, cheap, and easy to store. In the present work, we report that a simple cationic Fe(III)-rich salt of [FeIIICl(TMPPH2)][FeIIICl4]2 (Fe-TMPP) exhibits a superior anticancer performance toward a broad spectrum of cancer cell lines, including breast, colorectal cancer, liver, pancreatic, prostate, and gastric cancers, with half maximal inhibitory concentration (IC50) values in the range of 0.098−3.97 μM (0.066−2.68 μg mL−1), and comparable to the best-reported medicines. Fe-TMPP can forms stand-alone nanoparticles in water without the need for extra surface modification or organic-solvent-assisted antisolvent precipitation. Critically, Fe-TMPP is TME-responsive (TME = tumor microenvironment), and can only elicit its function in the TME with overexpressed H2O2, converting H2O2 to the cytotoxic •OH to oxidize the phospholipid of the cancer cell membrane, causing ferroptosis, a programmed cell death process of cancer cells.

A new quinazolinone alkaloid, named peniquinazolinone A (1), as well as eleven known com-pounds, 2-(2-hydroxy-3-phenylpropionamido)-N-methylbenzamide (2), viridicatin (3), viridicatol (4), (±)-cyclopeptin (5a/5b), dehydrocyclopeptin (6), cyclopenin (7), cyclopenol (8), methyl-indole-3-carboxylate (9), 2,5-dihydroxyphenyl acetate (10), methyl m-hydroxyphenylacetate (11), conidiogenone B (12), was isolated from the endophytic Penicillium sp. HJT-A-6. The chemical structures of all compounds were elucidated by comprehensive spectroscopic analysis, including 1D, 2D NMR, and HRESIMS. The absolute configuration at C-13 of peniquinazolinone A (1) was established by applying the modified Mosher’s method. Compounds 2, 3, and 7 exhibited an op-timal promoting effect on the seed germination of Rhodiola tibetica at a concentration of 0.01 mg/mL, while the optimal concentration for compounds 4 and 9 to promote Rhodiola tibetica seed germination was 0.001 mg/mL. Compound 12 showed optimal seed-germination-promoting activity at a concentration of 0.1 mg/mL. Compared with the positive drug 6-benzyladenine (6-BA), compounds 2, 3, 4, 7, 9, and 12 could extend the seed-germination period of Rhodiola tibetica up to the 11th day.

Halide perovskite materials gain enormous attention for their semiconducting properties, higher power conversion efficiency and potential applications in a wide range field of studies along with their two key limitations: stability and toxicity. In spite of great progress made on the halide perovskites and many promising research developments, overcoming these limitations is not realized yet. Therefore, coordination engineering of new framework for obtaining alternative new halide perovskite materials and fundamental understanding of the coordination chemistry and electronic interactions forming the structure of these newly engineered halide perovskite materials might be one way in order to overcome the issues related to both stability and toxicity. In this review, the current development of halide perovskite families, both lead halide perovskites and lead free halide perovskites followed by coordination engineering of the new frameworks to engineer new halide perovskite materials will be reviewed comprehensively. Moreover, all the concerns of the fundamental ideas of coordination chemistry and electronic interactions that are keys in forming the halide perovskite structures are discussed in detail and form the main aim of this review. Interestingly, we also discuss recent potential energy applications beyond photovoltaic and this review has completed with an essential and open question: ‘what could happen in the future of halide perovskites?’ in order to excite commercial enterprises and research institutions again as well as to get motivating new predictions on the future continuity of this field.

The recyclable paper based on photochromic materials not only reduces the pollution in the paper manufacture process, but also reduces the pollution caused by the use of ink, which receives wide attention. In this paper, a serial of PMoA-PWA/ZnO/PVP hybrid films which had different ratio of PMoA/PWA was prepared by the ultrasonic composite method. The results indicated that the hybrid film prepared when the ratio of PMoA to PWA was 3 had the best photochromic performance. In this system, ZnO was the photosensitizer while PMoA/PWA was the chromophore. The photochromic mechanism of PMoA-PWA/ZnO/PVP hybrid film was based on the photogenerated electron transfer mechanism. ZnO generated photoelectron under the excitation of visible light, then PMoA and PWA obtained the photoelectron and produced photoreduction reaction to generate heteropolyblue. The visible light photochromic paper was prepared by loaded PMoA-PWA/ZnO/PVP hybrid film (A3) on A4 paper. Application test showed that the prepared paper had extremely stable, excellent and reversible visible light photochromic properties, whether it was printing patterns or words and could replace the ordinary paper to realize the reuse of paper.

Microplastics and radionuclides pose significant challenges to the sustainable management of water systems. The interaction of uranium-232 and americium-241 with polyurethane (PU) and polylactic acid (PLA) microplastics has been investigated in aqueous laboratory and environ-mental solutions (e.g., seawater and wastewater) as a function of temperature in various pH (4, 7, 9). The temperature increase affects positively the binding of uranium-232 and americium-241. The highest adsorption efficiency for uranium and americium is observed at the neutral and al-kaline pH region, respectively. In environmental water samples (pH ~8) the adsorption efficiency decreases significantly due to the competitive adsorption of other metals present in natural wa-ters (e.g., Ca2+) as well as the stabilization of the actinides (particularly uranium) in solution (e.g., UO2(CO3)34-). The solution composition which governs both the actinide speciation, and the type of surface-active sites is strongly associated with the surface adsorption thermodynamics and de-termines the values of the associated parameters (ΔΗo and ΔSo). Generally, the values of ΔΗo and ΔSo are positive indicating an entropy-driven reaction. However, in the case of the U(VI) adsorp-tion by PLA in seawater samples both ΔΗo and ΔSo values become negative suggesting an enthal-py-driven binding mechanism associated with a decline in randomness at the surface upon ad-sorption.

The Yb/Al multilayer films exhibit excellent theoretical reflectivity in the 54-90nm wavelength range. This study attempted to incorporate 1.5% wt.% of Si impurities into Al to suppress the crystallization of Al, reduce interfacial roughness, and enhance the actual reflectivity of the prepared Yb/Al multilayer films. The internal microstructure changes of the film layers before and after Si impurity doping were investigated using GIXRR, AFM, and XRD techniques. The reflectivity of two types of multilayer films, Yb/Al(1.5wt.%Si) and Yb/Al(pure), was tested to evaluate the effect of Si impurity on the film performance.

Modification of electrode surface with a selective layer gives the possibility to detect target ana-lytes of forensic interest. 3-(4-trifluoromethyl)-phenyl)-thiophene (ThPhCF3) was deposited on a graphite (G) electrode by electrochemical oxidation and characterized as a receptor for the recognition of synthetic stimulants (2-aminoindane, buphedrone, naphyrone). First, the structural characterization of the polymeric layer were obtained from Raman spectroscopy. Second, the electrochemical profiles of selected synthetic stimulants and their affinity to ThPhCF3/G-modified electrodes were studied using square wave voltammetry and electrochemical impedance spec-troscopy. The values of the adsorption constant show the importance of – PhCF3 groups in the interaction with synthetic stimulants, namely recognition by the formation of hydrogen bonds (Kads (buphedrone) < Kads (2-AI)) and interaction with aromatic H atoms (Kads (buphedrone) < Kads (naphyrone)). It was demonstrated that the polymeric layer derived from thiophene with – PhCF3 group is capable to increase the intensity of the electrochemical signal.

The aim of this research work is to get a method for Galfenol electrodeposition thought which we can control the desired percentage of Ga versus Fe that has the maximum magnetostriction constant. Galfenol is electrodeposited on an optical fiber with an imbedded Fiber Bragg Grating (FBG) in its core. The final objective, that goes further of the scope of this research, is to get an optical magnetostrictive sensor. The device will sense magnetic field or current based on the combination of this magnetostrictive Galfenol, that will stress the optical fiber with the application of magnetic field or current and will change the reflected wavelength of the FBG as a consequence of the variation of the Bragg wavelength. We have developed a method of electrodeposition that allows controlling the density of current in the electrodeposition process in order to get the desired percentage of Ga and Fe in the alloy Ga X Fe 1-x. We have manufactured a set of samples with different parameters (as density of current and pH) and we have characterized these samples morphological, structural and magnetically. With this research we want to give to the scientific community the groundwork to design magnetostrictive optical sensors based on and FBG coated by giant magnetostrictive material. In this paper we have developed a method of covering the optical fiber controlling the composition of (Ga X Fe 1-X) in order to be able to get the maximum magnetostriction constant.

The direct hydrogenation of greenhouse gas carbon dioxide (CO2) to higher alcohols (C2+OH), as an important research area in C1 chemistry, is one of the most essential approaches to convert CO2 into liquid fuels or other value-added chemicals. The high atom economy and direct pathway make this reaction attractive to convert CO2 to higher alcohols. However, due to the complicated reaction network and the difficulty of C-C coupling, the formation of higher alcohols is more difficult compared with methanol or other compounds containing one carbon. The key issue is development of novel catalysts with high conversion and space time yield. But this is still a huge challenge faced by researchers. In this review, the thermodynamics and reaction pathways of CO2 hydrogenation were firstly clarified. Subsequently, after reviewing single metal-based, bi-and multi-metallic catalysts, the recently progress of tandem catalytic system was emphasized. Finally, we also provided an overview about tandem catalysis for CO2 hydrogenation to higher alcohols.

A methodology has been developed to assess the presence and dissipation of herbicides of wide range of polarities in soil using in-tube solid phase microextraction (IT-SPME) coupled on-line to capillary liquid chromatography (capLC). The compounds investigated were tritosulfuron (TRT), triflusulfuron-methyl (TRF), aclonifen (ACL) and bifenox (BF), with log octanol-water partition coefficients (log Kow) ranging from 0.62 to 4.48. The linearity, recoveries, intra and interday precision, limits of detection (LODs) and quantification (LOQs), and accuracy of the method were established. The proposed approach was successfully applied assess the degradation of the tested herbicides in different types of soil (agricultural, urban and forest) after being exposed to different laboratory and outdoor conditions. The results obtained showed a greater persistence of the most apolar compounds ACL and BF, regardless of the soil characteristics, whereas a significant degradation of highly polar herbicides TRT and TRF was observed in soils with lowest organic matter even after a few days of exposure. Those results indicate that the proposed approach can be considered an effective tool for a better understanding of soil pollution.

Objectives: This study assessed the performance of a novel fluoride dentifrice containing micro- fibrillated cellulose (MFC) and 7% silica (Protegera™) versus common fluoride dentifrices. Methods: Removal of extrinsic stains was assessed using the pellicle cleaning ratio (PCR) method, and radioactive dentin abrasivity (RDA) was measured, to calculate a cleaning efficiency index (CEI). Fluoride efficacy was evaluated using widely used remineralization and fluoride uptake methods. Results: The MFC dentifrice removed stained pellicle significantly more effectively than the ADA reference material, Crest Cavity Protection™ and Sensodyne Pronamel™, and had equal performance to three known marketed stain-removing dentifrices (Arm & Hammer™ Advanced Whitening, Crest ProHealth™, and Colgate Optic White™). The MFC dentifrice vehicle had a low RDA (88), which was significantly less than Crest ProHealth (166) and Crest 3D-White™ (183). Based on PCR and RDA data, the CEI was 31% greater for the MFC product than for Crest ProHealth. In a 10-day pH cycling study, the fluoride efficacy of the MFC product was superior to a non-fluoridated control and was not significantly different from Sensodyne Pronamel and Crest Cavity Protection. The MFC dentifrice was superior for promoting fluoride uptake into incipient enamel lesions than the USP reference dentifrice. Conclusion: The low dentin abrasivity MFC dentifrice is highly effective in removing stained pellicle, and is an efficacious fluoride source when compared to other relevant commercially available fluoride dentifrices with high dentin abrasivity. Clinical Significance: Including micro-fibrillated cellulose into a fluoride dentifrice may enhance cleaning performance for the removal of external stain, while lowering abrasivity, and providing an effective fluoride source. This combination of benefits seems well suited to enamel protection and caries prevention.

The potential of metallic lithium to become the anode material for next-generation batteries is hampered by significant challenges, chief among which is dendrite growth during battery charging. These dendritic structures not only impair battery performance but also pose safety risks. Among the non-destructive analytical techniques in battery research, Magnetic Resonance Imaging (MRI) stands out as a promising tool. However, the direct imaging of lithium by 7Li MRI is hindered by its low sensitivity and spatial resolution, making its use for of dendritic growth imaging very difficult. Instead, a recently introduced indirect imaging approach based on 1H MRI of the electrolyte was used in this study. This method was used for sequential 3D imaging to monitor the charging process of lithium metal symmetric cells in three different electrical circuits: single cell, four cells in parallel, four cells in series. The measured sequential images allowed measurement of dendrite growth in each cell using volumetric analysis. The growth results confirmed the theoretical expectation that growth across cells is uneven in a parallel circuit and even in a series circuit. The methods presented in this study can be applied also to many other dendrite-related issues in batteries.

The conformations of trifluoroacetyl triflate, CF3C(O)OSO2CF3, were investigated through vibrational experimental methods (gas-phase FTIR, liquid-phase Raman, and Ar-matrix FTIR spectroscopy) and Density Functional Theory (DFT) calculations. A potential energy surface was computed using the B3P86 /6-31+g(d) approximation as a function of the dihedral angles τ1 = CCOS and τ2 = COSC. The surface reveals three minima, which were further optimized using the B3LYP method with various basis sets (6-31++G(d), 6-311++G(d), tzvp and cc-pvtz). The global minimum corresponds to a syn-anti conformer (the CO double bound syn with respect the O−S single bond and the C−O single bond anti with respect to de S−C single bond). The other two minima represent enantiomeric syn-gauche forms. The Ar-matrix FTIR spectrum exhibited clear evidence of the presence of two conformers. Furthermore, the randomization process observed following broad-band UV-visible irradiation facilitated the identification of the IR absorption of each conformer. Based on the Ar-matrix FTIR experiments, the vapour phase of trifluoroacetyl triflate at room temperatures was composed of approximately 60-70% of the syn-anti conformer and 30-40% of the syn-gauche form.

To be used in cutting-edge green and other technologies, rare earth elements (REEs) are in great demand. Rare earth elements (REEs) include the following elements: La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu; additionally, they include Sc. Computers, laptops, TVs, generators, DVD players, cell phones, refrigerators, and other electronic equipment that are usually thrown away by their original owners because of their limited lifespan are examples of outdated or end-of-life electronics that make up e-waste. At the moment, these metals are essential to many contemporary devices, from LED light bulbs and wind turbines to cell phones and televisions. The development of new, cutting-edge technologies, especially in the field of electronics, depends on the availability of rare earth elements (REEs), sometimes referred to as the "vitamins" of modern industry. Since e-waste frequently has high concentrations of rare earth elements and is handled in hazardous ways, e-waste may be a significant contributor to the contamination of rare earth elements. Apart from their detrimental effects on the environment, these wastes also result in the loss of precious materials and rare earth elements such as gold, silver, copper, platinum, palladium, and rare earth, among other things. Every year, 50 million tonnes of e-waste are created globally. An enormous amount of e-waste is wasted since only 20% of it is handled correctly worldwide. There have been numerous reports on the recovery and separation of rare earth elements (REEs) from e-waste using various techniques, such as the hydrometallurgical process, siderophores, pyrometallurgical process, bioleaching, and biosorption. According to reports, the demand for rare earth elements (REEs) from clean technologies is expected to reach 51.9 thousand metric tons (kt) of REO in 2030. Nd and Dy, on the other hand, make up 75% and 9% of the world's REE deposits, respectively. REE levels in aquatic settings are rising, particularly in urban areas, in tandem with the growing demand for high-tech applications. Urban wastewater from open sewers and the entrance of a wastewater treatment facility in Cotonou, Benin, was collected, and its rare earth element (REE) contamination was evaluated.

Potassium-oxygen batteries (KOBs) are a promising energy storage technology with high theoretical en-ergy density, low overpotential and long cycle life. Cathode microstructure plays a significant role in the electrochemical performance of KOB. In this article, hierarchical porosity was introduced to commer-cially available carbon paper cathodes by the thermal pretreatment in air at different pretreatment times. This pretreatment modifies the properties, such as, surface area, defects, oxygen functional groups etc. and it has been found to enhance the discharge capacity and it result in reduction of dis-charge overpotentials.

Sensory descriptive analysis was used to evaluate the aged Feng-flavored baijiu. The results indicated that there are notable differences in the samples of different ages. The samples with shorter storage times and fresh distilled Baijiu present bran flavor, and fresh green flavor. with the increase of storage time, the fragrance of honey, sweetness, flowers, and aging gradually increases. The samples of Feng-flavored baijiu were dected by Headspace solid-phase microextraction (HS-SPME) combined with comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GC×GC–TOFMS) , in total, 496 sustances were identified in all samples, mainly containing 14 types of substances, such as esters, aldehydes etc., of which 42 substances were found in Feng-flavored baijiu for the first time. Chemometrics was used to analyze the key differential compounds. 143 differential compounds closely related to aging were preliminarily screened, and principal component analysis revealed that these samples were separated by year. 65 differential compounds were selected out by partial least squares discriminant analysis(PLS-DA). Furthermore, 43 key differential compounds were selected from the aged Feng-flavored baijiu combined with variable importance in projection and Pearson correlation coefficients. Partial least squares regression (PLSR) was used to research the correlation of sensory properties and key differential compounds, and the results indicated that most compounds were closely related to the aged Baijiu . This study afford theoretical basis and reference for flavor research of Feng-flavored baijiu.