Reducing the environmental footprint of aviation fuels requires catalysts that convert renewable olefins to jet-fuel hydrocarbons (JF). In this context, supported phosphotungstic acid (PTA) emerged as a promising Brønsted acid catalyst for this transformation. The performance of this catalyst depends strongly on the interaction of the PTA phase with the support. This study systematically investigates the interfacial electronic structure and surface functional chemistry of the support on oligomerization performance. 10 wt% PTA on oxide carriers (SiO2, ZrO2, Al2O3, and CeO2) and on six functionalized activated carbons were prepared and examined by XRD, Raman, 31P and 27Al MAS NMR, XPS, and evaluated in propylene oligomerization. The oxide-supported catalysts separate into two behaviors with SiO2 and ZrO2 preserving the Keggin PTA, inducing moderate W-Si band bending, yielding extended acidic domains, and exhibiting superior propylene conversion with high selectivity to jet-fuel-range products (80%). In contrast, Al2O3 and CeO2 promote charge transfer, decomposing PTA into mixed inactive WOx/P–O species. Carbon supports allow decoupling of intrinsic metal-oxide redox properties from surface PTA-anchoring and polarity. The different functional groups influence the anchoring of the PTA units on the surface, from restructured non-Keggin PTA species to large or finely dispersed Keggin domains. Catalytic performance is enhanced when acidic (–COOH/phenol) and non-acidic/basic (ethers/carbonyls/amine) functional groups co-exist, creating sufficient though non-destructive electronic coupling and effective proton transfer. These findings provide design rules for supported PTA catalysts that emphasize support-mediated control over Keggin integrity, electronic coupling strength, and proton-transfer efficiency, irrespective of whether the support is an oxide or a functionalized carbon.

Clay-based, low-COQ cement-stabilized materials offer a sustainable alternative to conventional building materials. This study examines the impact of various admixtures (Na-hexametaphosphate, Na-carbonate, Na-silicate, Na-citrate, and Na-oxalate) on the rheological behavior of poured systems containing a MgO-metakaolin cement as stabilizer. The yield stress reduction follows the order Na-hexametaphosphate > Na-silicate > Na-citrate > Naoxalate >= Na-carbonate > no admixture. The zeta potential data with the solution analysis of the suspensions show that the adsorption of admixtures and/or a change in pH leads to a more negative surface, enhancing dispersion through electrostatic repulsion. Silicate and phosphate are not found in the suspension, 29Si ssNMR indicates that silicate precipitates and polymerizes most likely as M-S-H. The phosphates are most likely adsorbed onto particles with opening of the phosphate rings observed by 31P NMR. The anionic charge density of adsorbed polyphosphates was calculated and linked to the decreased colloid sizes observed with increasing Nahexametaphosphate concentration.

This study evaluates the feasibility of blending metakaolin into MgO-nesquehonite binders. During hydration, hydrotalcite and M-(A-)S-H phases were formed alongside hydrous carbonate-containing brucite (HCB). At high nesquehonite contents (>= 22 wt%), partial transformation to hydromagnesite/dypingite might occur over time, reducing the carbonate fraction in HCB. Ex-situ leaching results showed low pH values of 10-10.5 in the MgOnesquehonite-metakaolin binders, which limited metakaolin dissolution (56-72 wt% of added metakaolin remaining unreacted after 91 days). Nevertheless, the mortars with a water-to-cement ratio of 0.71 achieved compressive strengths of 25-30 MPa at 2 days and 35-45 MPa after 28 days. The CO2 originally present in nesquehonite was fully sequestrated within the binders, and the total CO2 content increased slightly over time, indicating additional CO2 uptake from the atmosphere. Overall, up to 18 g of CO2 could be sequestrated into 100 g of dry cement.

Searching for different pharmacological attributes of curcumin analogous a series of 14 quinoline-based monocarbonyl curcumin derivatives were synthesized via Claisen-Schmidt condensation, achieving yields in the range of 49–88 % and evaluated for in-vitro antibacterial, antioxidant, and in-silico molecular docking studies. The prepared derivatives evaluated against Gram-negative (Escherichia coli, Pseudomonas aeruginosa) and Gram-positive (Staphylococcus aureus, Staphylococcus pyogenes) human pathogenic strains exhibited moderate to good activities compared to ciprofloxacin. Among all hybrids, 14e showed the highest inhibition zone (IZ) against Pseudomonas aeruginosa (18.00 ± 0.57 mm), and 14d exhibited broad-spectrum activities against tested bacterial strains, with IZ ranging from 17.00 ± 0 to 17.00 ± 0.057 mm. Compound 14 m exhibited notable activity against Streptococcus pyogenes, producing an IZ of 17.00 ± 0.00 mm. The DPPH radical scavenging results indicate that 14a and 14d showed the strongest radical scavenging potential with 90.50 ± 0.04 % (IC50 3.83 μg/mL) and 91.30 ± 0.04 % (IC50 3.31 μg/mL), respectively. The obtained values were comparable with ascorbic acid (96.00 ± 0.09 %, IC50 2.27 μg/mL). In-silico molecular docking analysis showed all derivatives displayed strong binding affinities with protein targets (6F86: −7.0 to −8.2 kcal/mol; 3TO7: −8.0 to −9.3 kcal/mol; 5OE3: −5.0 to −9.9 kcal/mol; 6KUD: −7.5 to −8.0 kcal/mol) versus ciprofloxacin (−7.1 to −8.2 kcal/mol). Against 1DNU, derivatives scored −9.5 to −10.3 kcal/mol compared to ascorbic acid (−6.1 kcal/mol). Many compounds targeting topoisomerase IIα achieved docking scores (−8.6 to −9.8 kcal/mol), while etoposide (−8.6 kcal/mol. Overall, the synthesized compounds displayed in vitro antibacterial and antioxidant activities consistent with in-silico predictions. SwissADME analysis showed that synthesized compounds met Lipinski's Rule of Five, while ProTox-II results indicated no risk of hepatotoxicity, carcinogenicity, or cytotoxicity.

Poured earth is increasingly attracting interest in the construction sector due to its intrinsic lower carbon footprint and easy processing stemming from the liquidity achieved by the usage of clay dispersants. In this paper, the reactions between phosphate and silicate species, and the associated dispersion mechanisms in liquid mixed formulations, were investigated using ATR-FTIR, NMR, and zeta potential. The results show that the co-presence of hexametaphosphate (HMP) and silicate (Sil) produces a synergistic dispersion effect, increasing the dispersing effect compared to either HMP or Sil used alone at comparable dosage. The synergistic effect arises from the inherent structures of the phosphate and silicate groups: phosphate preferentially adsorbs at the edge of the clay mineral, thereby exerting electrostatic repulsion, while silicate provides steric repulsion. By combining, the newly formulated HMP-Sil performs either electrostatically or electro-sterically. NMR measurements reveal that the polyphosphate groups undergo an initial deprotonation followed by gradual dissociation into smaller phosphate species over time, whereas silicate chains remain largely unchanged. Despite this reaction path, the formulated HMP–Sil dispersants retain their dispersing efficiency for at least six months. Finally, the applicability of HMP-Sil was further evaluated using representative illitic and smectitic clays, confirming its high dispersing efficiency for a broader range of clay-rich earth materials.

Chalcone-sulfonamide hybrids (12a-h) were synthesized via Claisen-Schmidt condensation in good yields (64%-83%) and confirmed by NMR spectroscopy. The compounds exhibited moderate to good antibacterial activity against Gram-negative (Escherichia coli, Pseudomonas aeruginosa) and Gram-positive (Staphylococcus aureus, Streptococcus pyogenes) bacteria, with inhibition zones of up to 14.7 mm at 10 mg/mL, lower than that of sulfamethoxazole but comparable to that of related hybrids. DPPH antioxidant evaluation revealed IC50 values of 5.2-11.8 μg/mL, with compounds 12e and 12c exhibiting the highest activity. Additionally, compound 12e had the strongest protein denaturation inhibition (IC50 = 29.89  µg/mL), while 12g and 12h showed superior anti-proteinase activity (IC50 = 115.6 and 112.2 µg/mL), outperforming diclofenac sodium. Molecular docking against DHPS (1AJ0, 1AD4), myeloperoxidase (1DNU), COX-2 (5IKR), and topoisomerase IIα (4FM9) showed strong binding affinities (-8.3 to -10.3 kcal/mol), supported by key hydrogen-bonding and hydrophobic interactions. SwissADME and ProTox II analyses indicate favorable drug-like properties, including Lipinski compliance, high GI absorption, no BBB penetration, and low predicted toxicity (LD50 > 6000 mg/kg). The hybrids presented here represent promising multifunctional leads with antibacterial, antioxidant, anti-inflammatory, and drug-like properties.

Transitioning the aviation sector to synthetic aviation fuels (SAF) requires innovative catalytic processes to overcome common limitations such as insufficient activity, selectivity, and catalyst deactivation. This study presents a detailed exploration of silica-supported phosphotungstic acid (PTA/SiO2) as a robust solid acid catalyst for propylene conversion into jet fuel-range hydrocarbons (C-8 to C-16) at mild reaction conditions (150 degrees C). The catalyst with optimized PTA loading (10 wt %) demonstrates significant oligomerization performance, achieving high selectivity to jet fuel-range hydrocarbons (>80%) and propylene conversion (>90%), alongside limited aromatic byproducts formation. Compared to conventional solid-acid catalysts such as a ZSM-5 zeolite, PTA/SiO2 exhibits significantly reduced catalyst deactivation and can be regenerated through mild thermal treatment (<400 degrees C). Detailed structural characterization revealed that PTA island size influences product selectivity. Increasing the PTA weight loading leads to larger active phase island sizes, with larger PTA islands preferentially producing longer-chain hydrocarbons (C15+). Raman spectroscopy confirms the preservation of the PTA Keggin structural integrity across all catalyst loadings, although perturbations in terminal W=O vibrations occur due to interactions with the SiO2 support. Crucially, insights obtained through combined XPS/HAXPES analyses reveal significant electronic interactions between PTA and SiO2, characterized by pronounced bending of the energy bands at the interface between semiconducting PTA and insulating SiO2. This effect generates interfacial tungsten states, which enhance localized electron mobility and facilitate proton transfer, significantly amplifying catalytic activity. Even catalysts with minimal Brnsted acidity (1 wt % PTA loading) exhibit notable turn over, emphasizing interfacial electronic modulation, rather than bulk acidity alone, as an important performance descriptor in olefin oligomerization.

Olinia rochetiana is one of the medicinal plants traditionally used in Ethiopia to treat various ailments, including wounds, snake bites, tuberculosis, and cancer. However, there is a lack of comprehensive investigation regarding the biological activities of the phytoconstituents extracted from its leaves. This study aims to isolate compounds and evaluate their in vitro antibacterial properties and DPPH radical scavenging activities, complemented by in silico molecular modeling. Thirteen compounds were identified using GC-MS from combined fractions 4-17. Ursolic acid (14), 5-hydroxy-4-methyl-5,6-dihydro-(2H)-pyran-2-one (15), hyperoside (16), and 4-O-beta-d-glucopyranosylcaffeic acid (17) were purified using chromatographic techniques and characterized using 1D and 2D NMR spectral data and a thorough comparison with literature data. At 5 mg/mL, the inhibition zones (IZs) of isolated compounds ranged from 9.00 to 12.67 mm against all of the evaluated bacteria. Among all isolated compounds, compound 14 exhibited more inhibition against Streptococcus pyogenes with an inhibition zone of 12.67 mm, and compound 17 also exhibited potent inhibition activity against Staphylococcus aureus with an inhibition zone of 11.00 mm. Escherichia coli and Pseudomonas aeruginosa were better inhibited using compound 16 with IZs of 12.30 and 11.70 mm, respectively. The antibacterial activity of compound 16 against E. coli and P. aeruginosawas validated using in silico molecular docking studies against the target enzymes E. coli DNA gyrase B (-8.4 kcal/mol) and Pseudomonas quinolone signal A (-9.3 kcal/mol), respectively. At 62.5 mu g/mL, the highest (89.2%) and the lowest (50.5%) DPPH radicals were scavenged by compounds 16 and 14, respectively. Compounds 14, 15, and 17 obey Lipinski's rule of five, and none of the isolated compounds were predicted to be fatal if swallowed. These findings reinforce the traditional use of the plant as a remedy for various bacterial diseases. However, further in vivo studies are essential to assess the biological and toxicological properties of the isolated compounds.

Species-specific second-order rate constants for the reactions of eight model sulfoxides with hypochlorous acid (k(HOCl)) were determined to be in the range of 2.7 M-1 s(-1) to 5.8 x 10(3) M-1 s(-1). A quantitative structure-activity relationships (QSAR) with Taft sigma* constants was developed based on eight measured k(HOCl)-values, showing a good linear correlation (R-2 = 0.89) with a negative slope rho = -1.5 typical for electrophilic reactions. The reaction is mainly controlled by HOCl, with a minor contribution of OCl-. The contributions of other reactive chlorine species (e.g., Cl-2 and Cl2O) to the overall kinetics are only 7 % for Cl2O and 5 % for Cl-2 under typical drinking water treatment conditions. A combination of several analytical methods (HPLC-MS/MS, HPLC-ICP-MS/MS, and NMR) was applied for the identification of transformation products. Major transformation products from the reactions of chlorine with sulfoxides are sulfones, Cl-substituted sulfoxides, aldehydes, and sulfonic acids potentially formed via a transient chlorosulfonium cation. In general, sulfoxides react more readily with chlorine compared to bromine. This might be caused by a partial positive charge on the sulfur which leads to a stronger interaction with Cl in HOCl having a smaller partial positive charge than Br in HOBr. The ratios of the species-specific second-order rate constants for the reactions of the selected sulfoxides with chlorine or bromine (k(HOCl)/k(HOBr)) range from 6 to 480. For sulfoxide compounds with strong electron-withdrawing substituents the reaction occurs most likely via a carbanion intermediate for which the reaction with HOBr is preferred, resulting in a k(HOCl)/k(HOBr) = 0.8.

N,O- and N,S-azoles and -azolines are common functional groups in pharmaceuticals, agrochemicals and natural products. Their fate during ozone-based water treatment processes is unknown due to a lack of kinetic and mechanistic information on their reactions with ozone. Apparent second-order rate constants kO3 of 12 model compounds were determined at pH 7: oxazoles react 2 orders of magnitude faster (kO3 = 9 × 102-5 × 104 M-1s-1, depending on their substituents) than thiazoles (kO3 = 1 × 101-2 × 103 M-1s-1). The low kO3 of thiazoles limits their degradability during ozonation. Only small yields of reactive oxygen species (•OH, H2O2, and 1O2) were observed during ozonation of oxazoles, suggesting that all oxygen atoms from ozone are incorporated into the products. Oxazoles and thiazoles react initially by a Criegee-type reaction at the C=C double bond, followed by two reaction branches, leading to two observed product groups: (1) carboxylates and cyanate; (2) formate, amide and CO2. For thiazoles, thiocarboxylic acids were identified as intermediates, reacting further to sulfate and carboxylic acids, forming 1O2. The nonaromatic 2-methyloxazoline is unreactive toward ozone. 2-Methylthiazoline reacts fast (kO3 = 2 × 104 M-1s-1), forming 1O2, leading to ring-opening and formation of dimerization products which react further to N-acetyltaurine. These results enhance the understanding of the ozone reactivity of heterocycles and help predict transformation product formation.

Hydridoborates are an emerging class of solid electrolytes that offer high ionic conductivity, low density, solution processability, compatibility with metallic anodes, and high oxidative stability. Notably, certain Li+ or Na+ solid electrolytes, consisting of two different cage-like closo-hydridoborate anion species, are compatible with 4 V-class cathodes by forming a sufficiently ion-conductive, passivating interphase. However, the nature of their electrochemical decomposition products and their dependence on electrochemical potentials remain unclear. In this combined theoretical and experimental study, we demonstrate the solid-state electrochemical oxidation of LiBH4 to Li2B12H12 above 2.0 V vs Li+/Li and provide evidence for the successive oxidation of closo-[B12H12]2- anions to larger H-interconnected closo-clusters. This supports the observed trend that larger clusters formed via oxidation are stabilized at higher electrochemical potentials. Notably, the oxidation process from LiBH4 to Li2B12H12 proceeds through the formation of a highly conductive [BH4]--[B12H12]2- mixed phase, indicating the potential for in situ formation of mixed-anion hydridoborates directly within all-solid-state cells. These insights into solid-state electrochemical decomposition at the solid-solid interfaces are transferable to other hydridoborate systems, regardless of cation species or anion structures, contributing to developing cathode design strategies for high-voltage all-solid-state batteries.

Near-infrared (NIR) light detection at wavelengths λ > 1100 nm is essential in modern science and technology. Emerging organic semiconductors are promising for solution-processed, flexible, and large-area NIR organic photodetectors (OPDs), but only a few organic chromophores with peak absorption beyond the silicon bandgap are available. Furthermore, the external quantum efficiency (EQE) and specific detectivity (D*) of NIR OPDs are restricted by insufficient exciton dissociation and high dark/noise current. Here, the combination of strong electron-accepting and -donating groups is used to synthesize a selection of novel NIR squaraine dyes with superior redshifted absorptions, peaking at 1165 nm in solution and extending to 1240 nm in a blend film. To overcome the tradeoff between long wavelength absorption and high photoresponse, NIR photons are detected utilizing a gain OPD design, where photomultiplication occurs via squaraine hole trap-induced injection of external charges. The OPD can achieve an EQE of 220% at 1240 nm and still maintains 25% in the absorption tail at 1400 nm, thereby surpassing existing NIR OPDs in a broad wavelength range beyond 1100 nm. The measured maximum D* equals 109 Jones at 1240 nm, and the detectivity estimated from the shot noise is ≈1011 Jones, independent of the bias voltage.

Grewia ferruginea is a medicinal plant used in Ethiopia to treat various ailments. Given its traditional uses and the absence of reports on its phytochemical constituents, this study was designed to isolate compounds from the stem bark of G. ferruginea and evaluate their in vitro biological activities. The essential oil was extracted using hydrodistillation and analyzed by GC–MS to identify 32 compounds. Whereas, lupeol (33), β-sitosterol (34), stigmasterol (35), daucosterol (36), and ( +)-catechin (37) were extracted using maceration, isolated by chromatographic techniques, and characterized using NMR spectral data. At 5 mg/mL, compound 33 exhibited a greater inhibition zone (IZ) of 15.2 mm against Pseudomonas aeruginosa. Compound 34 demonstrated better activity against Streptococcus pyogenes with an IZ of 15.07 mm. Compounds 36 and 37 showed higher activity against Escherichia coli with IZ of 12.50 and 12.33 mm, respectively. However, the essential oil exhibited better activity against Staphylococcus aureus with an IZ of 13.4 mm. The results of in silico molecular docking studies supported the results of in vitro antibacterial activity evaluations. At 62.5 µg/mL, compound 37 inhibited the highest (90.2

We address a core limitation of classical Fenton oxidation-acidic operation and metal carryover-by preparing a non-photonic, silica-based Fe-Cu catalyst from low-cost diatomaceous earth via dissolution/precipitation. We evaluated the silica-based catalysts against an anionic azo dye (acid blue-29, AB) and a representative antibiotic (doxycycline, DC). Using H2O2, the phosphoric acid (SP)-based silica catalyst worked effectively. AB resists H2O2 degradation, thus it was selected herein. SP-H2O2 decomposed AB (98.5 %) better than commercial silica (0.51 %) with HCl (12.1 %) and HNO3 (8.8 %) catalysts. The kinetics of AB degradation were found to be mixed-order kinetics (napp = 1.3 at 30 degrees C and 1.8 at 50 degrees C) and pseudo-zero-order in H2O2 over 38.6-115.2 mM (oxidantexcess). Arrhenius analysis (Ea = 53 kJ/mol) aligns best with the HO center dot pathway, and isopropanol scavenging confirms HO center dot involvement under our oxidant-excess window (38.6-115.2 mM H2O2, 30-50 degrees C). The role of Fe (0.172 wt%) and Cu (0.082 wt%) ions in the SP catalyst were investigated using X-ray Photoelectron Spectroscopy (XPS), Cyclic Voltammetry (CV), and Differential Functional Theory (DFT) calculations. Results indicate that H2O2 reacts at the surface of SP catalyst to produce HO center dot radicals which attack AB to produce AB free radical, which propagates by attacking additional AB molecules. SP successfully degraded DC in the presence of H2O2. The low cost, minimal metal content and catalytic degradation ability of SP highlights its potential for real-world application. XPS indicates Fe site loss drives deactivation, stabilizing Fe anchoring preserves activity.

The temperature dependence of the kinetics and the mechanisms of ozone reactions with 19 olefins and 3 alkynes were investigated. The second-order rate constants (k O3 ) for ozone reactions with olefins were mostly in the range of 103-106 M-1 s-1, with activation energies of 17.4-37.7 kJ mol-1. In comparison, alkynes had lower k O3 (similar to 102 M-1 s-1) and higher activation energies (36.7-48.1 kJ mol-1). Reactivities of both olefins and alkynes are mainly influenced by inductive effects of substituents, with steric effects observed for cyclic olefins. 2-Buten-1,4-dial (BDA), synthesized with a novel method, is a toxic olefinic oxidation product from phenols. Its cis- and trans-isomers show distinct reactivities with ozone, with k O3 (20 degrees C) of 3.0 x 103 and 1.2 x 104 M-1 s-1, respectively. Two mols of glyoxal were formed per mol of ozonated BDA, with a slow release of the second mol from an alpha-hydroxyalkylhydroperoxide intermediate. 2-Ethynylbenzaldehyde reacts with ozone with a stoichiometry of 1:1 and k O3 (20 degrees C) = 1.6 x 102 M-1 s-1. Ozone attacks the ethynyl group, yielding a carboxyl product (2-carboxybenzaldehyde, 54%), an aldehyde product (phthaldialdehyde), and a dicarbonyl product with a stoichiometric release of H2O2 (21%). This study provides kinetic and mechanistic information for assessing the abatement of olefin- and alkyne-containing micropollutants by ozonation at various temperatures.

Increasing the upper cut‐off potential of NMC811 electrodes beyond 4.3 V versus Li/Li + offers the potential to increase the specific energy of lithium‐ion battery cells by 20%. However, high‐voltage operation typically leads to accelerated aging resulting from a combination of degradation phenomena that are difficult to deconvolute. This study focuses on isolating the impact of electrolyte salt decomposition by replacing the unstable lithium hexafluorophosphate (LiPF 6 ) salt, which acts as a source of fluorine ions in the electrolyte, with the more stable lithium bis(trifluoromethane)sulfonimide (LiTFSI) salt. However, in the absence of fluorine ions, anodic dissolution of the aluminum current collector becomes a major issue, causing cell failure after only a few cycles. Tantalum current collectors show robustness against anodic dissolution without fluorine ion passivation even at high cell voltage, enabling the studies of lithium‐ion batteries in fluorine‐free conditions. Both NMC811||LTO and NMC811||graphite cells exhibit superior cycling stability at high voltage and/or elevated temperature with LiTFSI electrolyte due to reduced transition metal dissolution without the need for fluorine scavenging additives. Tantalum current collectors also enable the study of other high‐voltage cell chemistries in the absence of fluorine ions, providing precious new insights into the aging phenomena of next‐generation high‐energy batteries.

Cements based on magnesium oxide (MgO) and reactive (alumino-)silicates (xSiO 2 -yAl 2 O 3 ) have drawn increasing attention owing to their potential to be produced using raw materials with low CO 2 emissions. This study examines how the phase assemblages and compressive strengths of magnesia (alumino-)silicate cements are influenced by the addition of sodium hexametaphosphate (NaHMP) and sodium carbonate (Na 2 CO 3 ). Cement paste samples with a Mg/Si molar ratio of 1.5 and Al/Si molar ratios of 0 and 1.0 were prepared using microsilica (SF) and metakaolin (MK), respectively, and investigated using SEM, TGA, XRD, and 29 Si, 27 Al, 31 P, and 13 C MAS NMR. The results showed that the addition of NaHMP and sodium carbonate enhanced the reactivity of the raw materials in the Al-free MgO-SF systems, with magnesium silicate hydrate (M -S -H) being the primary hydrated phase. After 91 days, the degrees of reaction of microsilica were -86% and 96% for systems containing 0 and 2.5 wt % Na 2 CO 3 , respectively. In contrast, the reactivity of metakaolin in the Al-containing MgO-MK systems was limited to -53%, irrespective of Na 2 CO 3 addition, likely due to the excess sodium hexametaphosphate covering the surface of MK. Here, the main reaction products were magnesium aluminosilicate hydrate (M -A -SH) and hydrotalcite (Mg 6 Al 2 CO 3 (OH) 16 & sdot; 4(H 2 O))-like phases. Despite the MgO-SF systems displaying higher degree of reaction than the MgO-MK systems, the latter exhibited higher compressive strength. Sodium carbonate increased the compressive strength of the MgO-SF systems but decreased that of the MgO-MK systems. Thermodynamic modelling was also carried out and the results generally agreed with the phase formation observed with XRD and solid-state NMR.

Cyphostemma adenocaule is a therapeutic plant traditionally used to treat rabies, snake bite, diarrhea, and wound healing. To address the bioactive compounds exhibiting these activities, we performed a comprehensive study on the roots of the plant. Thus, the present study aims to inspect the in vitro antioxidant and antibacterial efficacies of compounds isolated from the combined dichloromethane : methanol (1 : 1) and methanol extracts of C. adenocaule along with the in silico study of their interaction with selected protein targets. The silica gel column chromatography technique was used for the isolation of compounds, and the antibacterial and antioxidant activities were evaluated using agar disc diffusion and DPPH radical scavenging assays, respectively. Furthermore, in silico molecular docking screening, pharmacokinetics, and toxicity protocols of the compound isolates were performed to offer the potential applications of the compounds in developing novel medications. A BIOVIA Discovery Studio in combination with AutoDock Vina 4.2 software, SwissADME, and ProTox-II prediction web tools were used to generate the molecular docking, pharmacokinetics, and toxicity profiles, respectively. Notably, the chromatographic separation of the combined extracts yielded six known compounds, namely, β-sitosterol (1), 3-hydroxyisoagatholactone (2), ε-viniferin (3), myricetin (4), tricuspidatol A (5), and parthenocissin A (6). The in vitro antibacterial activities revealed the highest inhibition zone by tricuspidatol A (5) (16.67 ± 0.47), showcasing its potent activity against S. aureus at 2 mg/mL, compared to ciprofloxacin (21.50 ± 0.41). ε-Viniferin (3) (IC50: 0.32 μg/mL) exhibited greater antioxidant activity than the others and displayed promising results compared to ascorbic acid (0.075 μg/mL). The molecular docking study revealed the highest binding affinity by ε-viniferin (3) (−9.9 kcal/mol) against topoisomerase II α. 3-Hydroxyisoagatholactone (2) and ε-viniferin (3) fulfilled Lipinski’s rule with no violation, and the organ toxicity predictions revealed that all the compounds showed no cytotoxicity and hepatotoxicity effects. Thus, this study’s combined in vitro and in silico outcomes suggest the potential use of the isolated compounds in drug discovery and support the traditional relevance of C. adenocaule.

The conception of epoxy thermosets with both reprocessability and flame retardancy delineates a new horizon in polymer science, offering a material solution that is not only superior in fire safety but is also environment friendly. Herein, a flame-retardant epoxy vitrimer (EV) was prepared using partially bio-based IADPPO (diphenylphosphine oxide itaconic anhydride) and citric acid as curing reagents via a solvent-free process. Their incorporation created covalent adaptable networks (CANs) in the matrix which promote reprocessability and recyclability. The EV exhibits excellent thermal stability with high initial decomposition temperature (T-5wt% ∼308°C) and high glass transition temperature (Tg ∼107°C), similar to the blank EV (115°C). The flame retardancy, mechanical properties, transesterification-based reprocessability, and flame-retardant mechanism were investigated. The EV containing 3 wt% phosphorus (EV IADPPO 3P) achieved UL-94 V0 classification with a limiting oxygen index (LOI) of 27 %, while the virgin sample Blank EV (without phosphorus) burned completely. Additionally, increased flexural strength of 79 % was observed for EV IADPPO 3P compared to Blank EV. Furthermore, the flame-retardant EV showed high malleability and reparability that could be thermomechanically reprocessed without sacrificing the thermal, mechanical, and flame-retardant properties. Thus, the newly developed epoxy vitrimer is not only fire-safe but fulfills the sustainability goals of today's society.