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In this research work, we designed a smart biodegradable PEG-coated MnO2 nanoparticles conjugated with doxorubicin (PMnO2-Dox NPs) for dual chemo-photodynamic therapy and magnetic resonance imaging (MRI) application. This highly sensitive pH-responsive PMnO2-Dox NPs causes effective drug release under acidic pH environment. PMnO2-Dox NPs not only improves the efficacy of chemo-photodynamic therapy due to synergistic response as well as improved MRI imaging via boosting T1 MRI contrast. Manifold characterization techniques have been employed for materials investigation. Crystallography of PMnO2-Dox NPs were performed by using XRD analysis, which confirmed tetragonal crystal structure with an approximate crystallite size of 20–30 nm. Surface morphology was confirmed via SEM analysis, results indicated the spherical and asymmetric agglomerated nanocluster of PMnO2-Dox NPs. In in vitro bioassay, the anticancer activity of PMnO2-Dox NPs were tested against breast cancer (MCF-7) cell line using MTT test. Moreover, it can also inhibit the growth of primary and secondary cancers without light exposure. Results suggested that PMnO2-Dox NPs not only convenient for cancer treatment via combined chemo-photodynamic therapy but also address the way towards a comprehensive strategy for MRI application via bright contrast agent T1 after overcoming the problem of multidrug resistance (MDR) and synergistic response of therapeutic analysis.

Abstract The inhibition effect of symmetrical Ball − type Zinc Phthalocyanine on Aluminum in 1mol/L hydrochloric acid was analyzed by electrochemical techniques. A novel ball-type zinc phthalocyanine (Zn-Pc) inhibitor has been synthesized and verified utilizing FTIR, nuclear magnetic resonance (1H NMR and 13C NMR), MALDI-TOF MS, and absorption spectroscopy (UV-Vis). In addition, laser-induced breakdown and photoluminescence spectroscopy were employed for additional study. Weight loss technique was employed to investigate the corrosion inhibition effectiveness of the synthesized Zn-Pc on Aluminum in 1mol/L hydrochloric acid at the range of variation temperatures (293–333 K). The inhibition efficiency of Zn-Pc increased with higher concentrations of Zn-Pc and decreased as the temperature increased. Furthermore, Zn-Pc demonstrated outstanding outcomes, achieving 72.9% at a very low inhibitor concentration (0.4 mmol/L) at 298 K. The experimental data for Zn-Pc Aluminum in 1mol/L hydrochloric acid obeys the Langmuir adsorption isotherm. Moreover, the corrosion system’s thermodynamic parameters and activation energy were determined. Quantum chemical calculations applying the (DFT) Density Functional Theory method was conducted and applied in this study. These calculations played a pivotal role in elucidating molecular structures and reactivity patterns. Through DFT, numerous reactivity indicators were computed, providing valuable insights into the chemical behavior of the studied compounds. These indicators, such as frontier molecular orbitals, electron density, and molecular electrostatic potential, were subsequently correlated with experimental data.

α-Glucosidase and urease inhibitors have emerged as crucial for developing therapeutic drugs targeting diabetes and gastrointestinal disorders. This study reports on new series of ibuprofen and mefenamic acid Schiff base derivatives incorporating isatin as dual inhibitors of α-glucosidase and urease enzymes. These synthesized derivatives (7a-r) were structurally characterized by 1H NMR, 13C NMR and HRMS (EI). Biological evaluation (IC50) identified several derivatives i.e., 7a (urease = 17.37 ± 1.37 µM, α-glucosidase = 44.1 ± 1.15 µM), 7j, (urease = 16.61 ± 1.37 µM, α-glucosidase = 81.2 ± 1.33 µM), 7o, (urease = 18.63 ± 1.27 µM, α-glucosidase = 70.3 ± 1.14 µM), 7r (urease = 11.36 ± 1.32 µM, α-glucosidase = 39.3 ± 1.17 µM), as dual inhibitors of urease (thiourea 21.37 ± 1.76 µM) and α–glucosidase (acarbose 375.82 ± 1.76 µM) enzymes. These bioactive derivatives were explored for cell viability studies against mononuclear cells revealing a good cytocompatibility. In silico molecular docking studies were also conducted to predict the binding mode of new derivatives with target enzymes that were found consistent with the results of in vitro research.

Chitosan, a biopolymer obtained from chitin, is known for its remarkable adsorption abilities for dyes, drugs, and fats, and its diverse array of antibacterial characteristics. This study explores the extraction and characterization of chitosan from the mycelium of Amanita phalloides. The moisture content, ash content, water binding capacity, fat binding capacity, and degree of deacetylation of the extracted chitosan were determined. The chitosan exhibited a high yield of 70%, crystallinity of 49.07%, a degree of deacetylation of 86%, and potent antimicrobial properties against both Gram-negative and Gram-positive bacteria. The study also examined the adsorption capabilities of chitosan to remove methylene blue (MB) dye by analysing specific factors like pH, reaction time, and MB concentration using the response surface model. The highest degree of MB dye removal was 91.6% at a pH of 6, a reaction time of around 60 min and an initial dye concentration of 16 ppm. This experimental design can be applied for chitosan adsorption of other organic compounds such as dyes, proteins, drugs, and fats.

Zinc sulfide/graphitic Carbon Nitride binary nanosheets were synthesized by using a novel sonochemical pathway with high electrocatalytic ability. The as- obtained samples were characterized by various analytical methods such as Transmission Electron Microscopy (TEM), Field emission scanning electron microscopy (FESEM), Energy-dispersive X-ray spectroscopy (EDS), X-ray diffraction analysis (XRD), and X-ray photoelectron spectroscopy (XPS) to evaluate the properties of ZnS@CNS synthesized by this new route. Subsequently, the electrical and electrochemical performance of the proposed electrodes were characterized by using EIS and CV to establish an electroactive ability of the nanocomposites. The complete properties like structural and physical of ZnS@CNS were analyzed. As-prepared binary nanocomposite was applied towards the detection of anticancer drug (flutamide) by various electrochemical methods such as cyclic voltammetry (CV), differential pulse voltammetry (DPV) and amperometry. The glassy carbon electrode modified with a ZnS@CNS composite demonstrates a remarkable electrocatalytic efficiency for detecting flutamide in a pH 7.0 (PBS). The composite modified electrode shows synergistic effect of ZnS and CNS catalyst. The electrochemical sensing performance of the linear range was improved significantly due to high electroactive sites and rapid electron transport pathways. Crucially, the electrochemical method was successfully demonstrated in biological fluids which reveals its potential real-time applicability in the analysis of drug.

The novelty of the work is to scrutinize for the first time the 4R,5S- 2,4,5-tris(4-ethoxy­phenyl)-4,5-dihydro-1H-imidazole (TEPI) as a corrosion inhibitor for carbon steel (C35E) in the acidic medium. The inhibitory properties of TEPI were assessed through various methods, including electrochemical, spectroscopic, and surface analysis, as well as quantum chemical calculations. The protective effect of C35E was seen to expand as the TEPI amount was extended but to diminish as temperature was augmented, fulfilling 98.3 % at 1 mM under 303 K. Certain thermodynamic and kinetic indices were estimated and explored. The TEPI complied with the Langmuir adsorption isotherm when it adsorbs on the C35E surface. TEPI behaviour was revealed by polarization trials to be of mixed type. The establishment of an adsorption-linked preventive TEPI layer on the C35E surface has been disclosed thanks to surface analysis. The outcomes of scanning electron microscopy coupled with energy dispersive X-ray spectroscopy clearly illustrate that TEPI can effi­ci­ently adsorb at the C35E interface, substantially reducing C35E steel corrosion. UV-visible analysis of the inhibited electrolyte clearly reveals the complexation of iron cations with TEPI molecules. The density functional theory, Monte Carlo and molecular dynamic simulation were adopted to check out the adsorption characteristics of the TEPI onto C35E surface. The laboratory outcomes have been proven by DFT and MDS.

The impact of Co-addition (x = 0, 2, 4, and 6 at. %) in the as-cast and annealed Ni50Mn37.5Sn12.5 Heusler alloy at 900 °C for 24 h on the microstructure, magnetic properties, and the martensitic transition was studied using X-ray diffraction (XRD), scanning electron microscopy, vibrating sample magnetometry, and differential scanning calorimetry. The crystal structure of as-cast samples consists of a 14M modulated martensite structure, a face-centered (FCC) γ phase, and a face-centered tetragonal (FCT) MnNi-type phase L10. The as-cast samples show a dendritic microstructure with different contrasts and non-uniform distribution. The annealed samples exhibit dual 14M and γ phases for the Co0 and Co2, but 14M + γ + MnNi for the Co4 and Co6. The appearance of the martensitic transformation in the annealed Co0 and Co2 samples can be due to the disappearance of the dendritic microstructure. The characteristic temperatures (martensite start, Ms; martensite finish, Mf; austenite start, As; and austenite finish, Af) decrease with Co addition. A ferromagnetic-like order exists at a lower temperature of 1.8 K for the as-cast and annealed samples and decreases at 300 K. The annealing increases the fraction of the AFM contributions at 300 K. The exchange bias values of the Co0, An-Co2, and An-Co6 are 146.7 Oe, 24 O2, and 32.6 Oe, respectively, at 300 K.

The acute manifestations of coronavirus disease 2019 (COVID-19) exhibit the hallmarks of sepsis-associated complications that reflect multiple organ failure. The inflammatory cytokine storm accompanied by an imbalance in the pro-inflammatory and anti-inflammatory host response to severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection leads to severe and critical septic shock. The sepsis signature in severely afflicted COVID-19 patients includes cellular reprogramming and organ dysfunction that leads to high mortality rates, emphasizing the importance of improved clinical care and advanced therapeutic interventions for sepsis associated with COVID-19. Phytochemicals of functional foods and nutraceutical importance have an incredible impact on the healthcare system, which includes the prevention and/or treatment of chronic diseases. Hence, in the present review, we aim to explore the pathogenesis of sepsis associated with COVID-19 that disrupts the physiological homeostasis of the body, resulting in severe organ damage. Furthermore, we have summarized the diverse pharmacological properties of some potent phytochemicals, which can be used as functional foods as well as nutraceuticals against sepsis-associated complications of SARS-CoV-2 infection. The phytochemicals explored in this article include quercetin, curcumin, luteolin, apigenin, resveratrol, and naringenin, which are the major phytoconstituents of our daily food intake. We have compiled the findings from various studies, including clinical trials in humans, to explore more into the therapeutic potential of each phytochemical against sepsis and COVID-19, which highlights their possible importance in sepsis-associated COVID-19 pathogenesis. We conclude that our review will open a new research avenue for exploring phytochemical-derived therapeutic agents for preventing or treating the life-threatening complications of sepsis associated with COVID-19.

Post-harvest activities, which include sorting, loading, unloading, and transporting, are potential factors that cause mechanical damage and bruises to fresh produce. This would directly impact fruit shelf-life and, therefore, cause economic losses. This study developed a finite element (FE) model for pear fruit where a steel impactor drop-based test was utilized. The FE model was validated by evaluating it as the experimental model in order to identify bruises of the pear fruit. Therefore, to minimize bruises on the pear fruit, a recycled polyethylene terephthalate (PET) spring-based design was proposed in order to serve as a cushioning design for pear fruits. Design of experiments and response surface methodology were performed in order to minimize the fruit bruise susceptibility response subject to different spring design parameters. The results revealed that reduced spring pitch and increased coil thickness would significantly minimize bruises of pear fruit. The recycled PET proposed design proved its efficiency in reducing FE pear fruit model bruises by about 50%. This study provides insights on assessing bruise susceptibility using finite element analysis and reusing plastic for fresh produce packaging, thus reducing loops in supply chains and achieving a circular economy.

Graph Neural Networks have proven to be very valuable models for the solution of a wide variety of problems on molecular graphs, as well as in many other research fields involving graph-structured data. Molecules are heterogeneous graphs composed of atoms of different species. Composite graph neural networks process heterogeneous graphs with multiple-state-updating networks, each one dedicated to a particular node type. This approach allows for the extraction of information from s graph more efficiently than standard graph neural networks that distinguish node types through a one-hot encoded type of vector. We carried out extensive experimentation on eight molecular graph datasets and on a large number of both classification and regression tasks. The results we obtained clearly show that composite graph neural networks are far more efficient in this setting than standard graph neural networks.

Abstract Al-based cationic metal-organic frameworks (MOFs) are uncommon. Here, we report a cationic Al-MOF, MIP-213(Al) ([Al18(μ 2-OH)24(OH2)12(mdip)6]6Cl·6H2O) constructed from flexible tetra-carboxylate ligand (5,5'-Methylenediisophthalic acid; H4mdip). Its crystal structure was determined by the combination of three-dimensional electron diffraction (3DED) and high-resolution powder X-ray diffraction. The structure is built from infinite corner-sharing chains of AlO4(OH)2 and AlO2(OH)3(H2O) octahedra forming an 18-membered rings honeycomb lattice, similar to that of MIL-96(Al), a scarce Al-polycarboxylate defective MOF. Despite sharing these structural similarities, MIP-213(Al), unlike MIL-96(Al), lacks the isolated μ 3 -oxo-bridged Al-clusters. This leads to an ordered defective cationic framework whose charge is balanced by Cl- sandwiched between two Al-trimers at the corner of the honeycomb, showing strong interaction with terminal H2O coordinated to the Al-trimers. The overall structure is endowed by a narrow quasi-1D channel of dimension ~4.7 Å. The Cl- in the framework restrains the accessibility of the channels, while the MOF selectively adsorbs CO2 over N2 and possesses high hydrolytic stability.

Abstract Amphotericin B (AMPH) is an anti-fungal drug and this study, for the first time as best of our knowledge, reports the repurposing of the Amphotericin B. The drug was found to show significant antibacterial potential revealed by antimicrobial screening, molecular docking, and mode of action analysis targeting Penicillin Binding Protein 2a (PBP 2a protein) which is target of β-lactam drugs and is involved in cell wall synthesis. Mode of action analysis showed the drug to have hydrophobic and hydrophilic interactions with both C-terminal, trans-peptidase and non-penicillin binding domain of the protein. Additionally, to evaluate the impact of ligand binding on the protein's conformational dynamics, molecular dynamics (MD) simulations were used. Comparative Dynamical flexibility (RMSF) and Dynamics Cross Correlation (DCCM) followed by MD simulations revealed the complex formation significantly effecting structural dynamics of the enzyme significantly in the non-penicillin binding domain (327–668) and slightly in trans peptidase domain. Radius of gyration assessment further showed ligand binding also decreasing over all compactness of protein. Secondary structure analysis indicated the complex formation changing the conformational integrity in non-penicillin binding domain. Hydrogen bond analysis and MMPBSA, free energy of calculations followed by MD simulations, also complemented the antimicrobial and molecular docking revelations suggesting Amphotericin B to have substantial antibacterial potential.

Technology and Nanoscience have a remarkable impact on environmental challenges. Scientists are moving away from harmful chemical approach and toward eco-friendly, accessible, efficient, and affordable green chemical methods for synthesizing nanoparticles. This article provides a feasible way to make iron oxide using an Avicennia marina dry fruit, seeds, leaves and green fruit extract. Structural, optical and morphological properties of the manufactured iron oxide nanoparticles have been evaluated using X-ray diffraction spectroscopy (XRD,) Ultra violet visible spectroscopy (UV–Visible), Fourier transform infrared spectroscopy (FT-IR), scanning electron microscope spectroscopy (SEM) and antibacterial activity. The formation of FeO NPs and their crystallinity has been confirmed by XRD, average particle size of FeO NP of dry fruit, seeds, leaves and green fruit are 7.1335 nm, 9.295 nm, 9.680 nm and 10.128 nm respectively. FT-IR spectrum shows the surface functionalization and vibrational phases of the bonds in FeO NPs. Band gap energies decreasing as crystallite size increases, according to UV visible results band gap energies of dry fruit, seeds, leaves and green fruit are 3.16 eV, 2.57 eV, 2.99 eV and 2.52 eV respectively. The antibacterial properties of the produced nanoparticles against Xanthomonas campestris pv vesicatoria, Erwinia spp, Escherichia coli bacteria has been investigated. Iron oxide nano particles has been utilized for antibacterial activity because of their less toxicity, high stability and biocompatibilities. The result shows the produced FeO NPs were minimize on bacterial colony.

Iron oxide nanoparticles were synthesized from tris(pentanedionato)iron(III) singular molecular precursor through pyrolysis in static air. FT-IR, XRD, TGA, BET and SEM/EDS techniques were used to follow the reactions and identify the products. Single crystalline iron oxide sizes were found to be 18.23 ± 0.23, 16.42 ± 0.21, and 13.964 ± 0.11 nm using Scherrer equation, and the BET surface area were measured to be 110.909, 121.352, and 153.9911 m2g−1 for the corresponding iron oxides obtained through pyrolysis of un-irradiated and γ irradiated tris(2,4 pentanedionato)iron(III) with 100 and 300 kGy, respectively. Nonisothermal kinetics formation of iron oxide nanoparticles over the thermal decomposition of un-irradiated and γ-irradiated tris(pentanedionato)iron(III) molecular precursor with 100 and 300 kGy total γ-ray doses were investigated under air flow with a heating rate of 5, 10, 15, 20, and 25 °C/min, from 25 °C to 500 °C. Kinetic parameters were attained through model-fitting and model-free approaches, and artificial isokinetic relationship (IKR) for multi-step processes. The decomposition for both un-irradiated and γ-irradiated tris(pentanedionato)iron(III) molecular precursor with 100 and 300 kGy total γ-ray doses proceed over one major step with two-dimensional diffusion (bi-dimensional particle shape) Valensi equation (D2).

Microbial fuel cell (MFC) is a new and interesting technology that can be used to treat wastewater without using electricity. The current research focuses on electron generation, which is one of the technique’s major challenges. According to the latest literature, the study was planned to successfully remove the metals from artificial wastewater at high concentrations and generate electricity. On average, after 18 days of operation, it offered 610 mV with 1000 ῼ constant external resistance. The internal resistance was found to be 520 ῼ. The achieved power density was 3.164 mW/m2 at an external resistance of 1000 ῼ. The achieved removal efficiencies of Pb2+, Cd2+, Cr3+, and Ni2+ were 83.67%, 84.10%, 84.55%, and 95.99%, respectively. The operation lasted for 25 days. The cyclic voltameter studies show that there is a gradual oxidation rate of organic substances, while on day 25, the removal efficiency reached its maximum. The specific capacitance was found to be high between days 15 and 20, i.e., 0.0000540 F/g. It also indicated that biofilm was stable around day 18. Furthermore, the biological characterization also demonstrated that MFC operation was very smooth throughout the process, even at high concentrations (100 mg/L) of metal ions. Finally, there is the MFC method, as well as some new challenges and future recommendations.

It is well recognized that heterocyclic compounds have exceptional biomedical applications, which has led scientists to become increasingly interested in their use in this field in the recent past. It is the aim of this study, using a multistep method based on thiazolidinone derivative synthesis, to synthesize thiazolidinone derivatives derived from pyrazine molecules (1–12). As a result of analyzing 1H-NMR, 13C-NMR, and HREI-MS data, the structures of these derivatives were determined. The minimum inhibitory concentration (MIC) of these drugs was also determined alongside the donepezil (IC50 = 10.10 ± 0.10 µM) to determine their potential as anti-Alzheimer agents. Among the screened derivatives, 1 (IC50 = 4.10 ± 0.20 µM), 2 (IC50 = 2.20 ± 0.20 µM), 4 (IC50 = 2.30 ± 0.20 µM), 5 (IC50 = 5.80 ± 0.30 µM), 6 (IC50 = 6.30 ± 0.20 µM), 8 (IC50 = 5.20 ± 0.10 µM), 9 (IC50 = 5.20 ± 0.40 µM), 10 (IC50 = 8.30 ± 0.40 µM), and 11 (IC50 = 8.10 ± 0.70 µM) showed potent activity. In addition, the synthesized moieties were screened against E. coli to determine whether there were any antimicrobial properties. It was found that most of the compounds were more potent inhibitors of bacterial growth in comparison to streptomycin, the reference drug. There have been several molecular docking experiments conducted to gain a deeper understanding of how these compounds interact with the active sites of enzymes to gain a greater understanding of their functional mechanisms.

N-ferrocenylmethylaniline (FA) and its N-acetylated derivative (NFA) have been synthesized and fully characterized by various physicochemical techniques such as 1H and 13C NMR spectroscopy, their interactions with chicken blood DNA (CB-DNA) were studied by cyclic voltammetry (CV) and molecular docking (MD). The obtained results suggested that both FA and NFA bind strongly via electrostatic interactions to the minor groove of double helix DNA, these electrostatic interactions were evidenced by the findings like a negative formal potential shift in CV and ionic strength effect. The results further show that the obtained binding constants and free binding energies by MD analysis are matched roughly to those obtained from CV. Furthermore, the binding site size was evaluated from voltametric data.

Coughs and allergies are often treated at home with cinnamon (Cinnamomum verum). COVID-19 patients were also benefited by the herb. Aspirating C. verum powder caused pulmonary toxicity, hypercapnia, and respiratory failure in humans and animals. The toxicity of C. verum during fetal lung development is generally unknown. C. verum's effects on lung development were studied in zebrafish. Zebrafish lack lungs but have a swim bladder that functions like mammalian lungs. This study examined C. verum's role in embryonic lung formation using zebrafish swim bladder development. C. verum bark was extracted in methanol, chloroform, ethyl acetate, and hexane. Zebrafish embryos received serial dilutions of these extracts. Methanol extracts of C. verum were not harmful, while hexane, chloroform, and ethyl acetate extracts prevented swim bladder formation and caused neurotoxicity in zebrafish embryos. Organogenesis and lung tumorigenesis share biology. The anti-cancer effect of C. verum against lung cancer is unclear, hence an invitro cell viability study was performed utilizing three human lung cancer cell lines. All extracts decreased lung cancer cell viability, but hexane extract was most effective, inhibiting growth at IC 50 concentrations below 50 µg/ml. The LD50 dose of hexane extract in zebrafish embryonic toxicity exceeds 100 µg/ml, indicating more activity in cancer than normal cells. The extracts also exhibited significant level of ameliorative activity against CuSO4 induced oxidative stress in live zebrafish larvae. Hexane, ethyl acetate, and chloroform fractions have high cinnamaldehyde levels according to GC–MS analyses. Thus, cinnamaldehyde may be the key element in C. verum's lung toxicity and anticancer properties. This study suggested that C. verum crude extract or pure cinnamaldehyde could treat lung cancer. The dose in pregnant women must be carefully monitored to avoid teratogenic effects on fetus lung development.

Gemini surface active ionic liquids (GSAILs) are known as effective and environmentally friendly materials. Conventional anionic surfactants like sodium dodecyl sulfate (SDS), on the other hand, can establish desired properties in solutions. This study reports investigation on the influence of the mixtures of an imidazolium cationic GSAIL, [C4im-C6-C4im][Br]2, and the SDS anionic surfactant on the interfacial tension (IFT), emulsification, and wettability alteration of the crude oil–water system. Results demonstrate amazing synergistic effects, resulting in 97.1 % more IFT reductions compared to what could be achieved with the linear contribution of surfactants. Under the GSAIL mole fraction of 0.4 and the mixture concentration of 0.25 molˑdm−3 in aqueous phase, a low IFT of 0.18 mNˑm−1 was attained. This is attributed to the attractive interaction between the involved surfactants. Synergisms of 52.0 and 59.8 % were also achieved in emulsification and wettability alteration with the mixture of surfactants under the optimum GSAIL mole fraction of 0.4. The obtained data for the individual and the mixture of surfactants were analyzed based on, respectively, Frumkin adsorption isotherm and the “non-ideal interactions in binary mixtures” theory. Corresponding consistent parameters were determined and discussed.

The objective of this study was to evaluate the antioxidant (AA), antibacterial, and antifungal activity of fresh and pre-treated apricot extracts, dried by microwave at different powers (200, 400, and 800 W), extracted by the cold soaking method, and ultrasound-assisted extraction (UAE). Biological activity (bacterial and fungal) was estimated by agar disk diffusion test against four bacterial strains (Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus and Streptococcus sp.), and two fungal strains (Candida spp. and Geotrichum capitatum). Methanolic extracts of apricot fruits: fresh, dried processed, and apricot dough extracted by cold soaking showed a higher AA ranging from 34.22 to 96 % than the other extracts extracted by UAE with values ranging from 14.37 to 66.88 %. The results of tested extracts from fruits (Prunus armeniaca L.) extracted by both extraction methods showed the highest inhibitory activity against most of the tested bacterial and fungal strains with inhibition zones ranging from 4 to 45 mm. The biological activity (antibacterial and antifungal activity) has been improved using different treatments and microwave powers for drying apricots. In addition, the results of the biological activity of the extracts obtained by UAE are the best compared to cold soaking. However, it was determined that the UAE extraction method of cold soaking and drying of apricot fruits was more appropriate for the food industry due to the obtaining of extracts with good antibacterial and antioxidant potential, and their incorporation in foods would increase their production and uses, thus leading to the development of superior biofunctional foods, and the use of bio-solvent, such as methanol, which is easily available in high purity, highly safe, and completely biodegradable.

Knee injuries represent a significant health concern for young male football players in Saudi Arabia. Despite global research on football-related injuries, there is a distinct lack of studies focusing on this demographic in the Saudi context. This research aims to fill this gap, offering insights into injury prevalence and risk factors, thereby contributing to athlete well-being and informing tailored interventions. This study aimed to investigate the prevalence of knee injuries among youth male football players in Saudi Arabia, with a focus on injury patterns, risk factors, and associated factors. A cross-sectional study was conducted, involving 104 male football players who represent five Saudi clubs and are aged 18.82 ± 0.68 years. Injury data, including severity, timing, and mechanisms, were collected. Logistic regression analyses were performed to assess the impact of various factors on the likelihood of knee injuries. The study revealed that 37.5% of participants reported prior knee injuries, predominantly muscle injuries (61.5%) occurring during training. Ligamentous injuries, particularly anterior cruciate ligament injuries, were also notable (25.6%). Logistic regression analyses indicated that factors such as age, weight, height, body mass index, playing position, duration of playing football, and playing surface significantly influenced the odds of sustaining a knee injury. This study provides insights into the prevalence and patterns of knee injuries among youth male football players in the central region of Saudi Arabia. Muscle injuries are common. Factors such as age, weight, and playing position contribute to the risk of knee injuries. The findings underscore the need for targeted injury prevention strategies and player education programs.

Bladder pain is a prominent symptom in Interstitial Cystitis/Bladder Pain Syndrome (IC/BPS). We studied spinal mechanisms of bladder pain in mice using a model where repeated activation of intravesical Protease Activated Receptor-4 (PAR4) results in persistent bladder hyperalgesia (BHA) with little or no bladder inflammation. Persistent BHA is mediated by spinal macrophage migration inhibitory factor (MIF), and is associated with changes in lumbosacral proteomics. We investigated the contribution of individual spinal MIF receptors to persistent bladder pain as well as the spinal proteomics changes associated with relief of persistent BHA by spinal MIF antagonism. Female mice with persistent BHA received either intrathecal (i.t.) MIF monoclonal antibodies (mAb) or mouse IgG1 (isotype control antibody). MIF antagonism temporarily reversed persistent BHA (peak effect: 2 h), while control IgG1 had no effect. Moreover, i.t. antagonism of the MIF receptors CD74 and C-X-C chemokine receptor type 4 (CXCR4) partially reversed persistent BHA. For proteomics experiments, four separate groups of mice received either repeated intravesical scrambled peptide and sham i.t. injection (control, no pain group) or repeated intravesical PAR4 and: sham i.t.; isotype IgG1 i.t. (15 μg); or MIF mAb (15 μg). L6-S1 spinal segments were excised 2 h post-injection and examined for proteomics changes using LC-MS/MS. Unbiased proteomics analysis identified and relatively quantified 6739 proteins. We selected proteins that showed significant changes compared to control (no pain group) after intravesical PAR4 (sham or IgG i.t. treatment) and showed no significant change after i.t. MIF antagonism. Six proteins decreased during persistent BHA (V-set transmembrane domain-containing protein 2-like confirmed by immunohistochemistry), while two proteins increased. Spinal MIF antagonism reversed protein changes. Therefore, spinal MIF and MIF receptors mediate persistent BHA and changes in specific spinal proteins. These novel MIF-modulated spinal proteins represent possible new targets to disrupt spinal mechanisms that mediate persistent bladder pain.

Four distinct types of multiple emulsions were synthesized using xanthan gum and pectin through two distinct manufacturing processes. The assessment encompassed the examination of morphology, stability, and rheological properties for the resulting water-in-oil-in-water (W/O/W) double emulsions. Formulations were meticulously crafted with emulsifiers that were compatible with varying compositions. Remarkably stable multiple emulsions were achieved with a 0.5 wt% xanthan concentration, demonstrating resilience for nearly two months across diverse storage temperatures. In contrast, multiple emulsions formulated with a higher pectin concentration (2.75 wt%) exhibited instability within a mere three days. All multiple emulsions displayed shear-thinning behavior, characterized by a decline in apparent viscosity with escalating shear rates. Comparatively, multiple emulsions incorporating xanthan gum showcased elevated viscosity at low shear rates in contrast to those formulated with pectin. These results underscore the pivotal role of the stepwise process over the direct approach and emphasize the direct correlation between biopolymer concentration and emulsion stability. This present investigation demonstrated the potential use of pectin and xanthan gum as stabilizers of multiple emulsions with potential application in the pharmaceutical industry for the formulation of topical dosage forms.

Mechanical damage and bruising of fruit is a critical problem in the food industry. Minimizing brusing and damage can be achieved by designing energy-absorbing structures and packaging systems in order to ensure the long-term quality of fresh produce. The aim of this study is to investigate the response and bruise susceptibility of pears under impact loading conditions through finite element analysis (FEA) methods. In this paper, three impact heights (0.25 m, 0.5 m, and 1.0 m), four impact material surfaces (poplar wood, rubber, cardboard, and acrylonitrile butadiene styrene (ABS) plastic), two packaging sizes (standard 0.22″ and sandwich lattice 2.1″), and three impact design structures (rigid, corrugated, and honeycomb) are considered. Based on mesh sensitivity analysis, a mesh element of 1.5 mm was adopted for all simulations, assuring the accuracy of results and considering the trade-off between mesh size and computational time. The response surface analysis approach was utilized in order to develop predictive empirical models related to pear bruising. Results revealed that the rubber-based impact platform yielded minimal bruise susceptibility at all heights, while standard-sized corrugated cardboard performed best at a height of 0.25 m. Furthermore, single, double, and triple layers of packaging cardboard were tested. We observed that adding a second soft layer of corrugated cardboard reduced the stress on the pear by around 33%. However, adding a third layer only reduced stress by 5%. The 3D-printed honeycomb ABS has potential as protective packaging but would require further investigations and parameter optimization. Stacking multiple layers of cardboard on top of each other is a cost-effective solution that could improve damping and, therefore, ensure good quality and increase the shelf life of the fresh produce. This study will help decision-makers select the optimal energy-absorbing material for cushioning and packaging designs in order to improve the handling and post-harvesting logistics of fresh produce.

Introduction: The present research aimed to fractionate Xanthium strumarium L. (XSL) foliage phenolics into a set of solvents and evaluate their antioxidant potential and in-vivo anti-diabetic activity against Alloxan monohydrate-induced diabetic mice.Methodology: For this purpose, XSL foliage was fractionated into petroleum ether, ethyl acetate, ethanol, and water via orbital type shaking and tested for the presence of phenolics, and their antioxidant and antidiabetic potential.Results and discussion: The results revealed that the ethyl acetate fraction of XSL foliage contained the highest amount of total phenolics 95.25 mg GAE/g of extract, followed by ethanol (65.14 mg GAE/g), petroleum ether (25.12 mg GAE/g), water (12.20 mg GAE/g), and XSL powder (69.13 mg GAE/g). At the end of treatment time (day 18 of oral administration of 400 mg/kg body weight of mice), the ethyl acetate fraction significantly (p ≤ 0.05) lowered blood glucose level (353 ± 10.6 to 220 ± 25.5 mg/dL) which might due to the elevated level of phenolic compounds in this fraction.Conclusion: Overall, it can be speculated that ethyl acetate and ethanol may work efficiently for the enrichment of XSL phenolic without compromising their antidiabetic potential.

Nickel (Ni) is essential for plant metabolism but is dangerous to most plants and other organisms when present in large concentrations. In this study, nickel (Ni) was chosen as an important environmental pollutant and toxic substance due to its widespread availability, and high persistence, causing soil pollution and serious environmental problems. The main aim of the study is to determine the Ni content in various wheat varieties and soil grown in various water regimes (sewage water, groundwater and industrial water) in Punjab, Pakistan. The Ni concentrations were determined via the ecological environment (water, soils) and below (roots) and above-ground plant organs (shoots and wheat grains) and phytostabilization potential assessment using various pollution indices. The results showed that the mean Ni concentration in different wheat varieties varied from 1.35 to 2.45 mg/kg, 1.17 to 2.42 mg/kg, 1.09 to 2.10 mg/kg and 0.99 to 1.54 mg/kg in soil, root, shoot, and grains, respectively. Research findings also revealed that the nickel concentration in soil and grains is within the safe limits and all the indices for Ni are less than 1. As a result, the studied wheat cultivars appear to be safe for consumption. However, it can be said that the continuous use of wastewater for irrigation may pose health risks for living things in the food chain.

Abstract Background This study is aimed to synthesize nanosize zinc oxide by acid catalyzed sol–gel process using zinc nitrate hexahydrate as precursor, aqueous isopropanol as solvent and glycerin for making polyol system. The polyol mediated procedure was employed in combination with calcination induced synthesis of nanoparticles of numerous sizes obtained with the variation in calcination temperature from 500 to 900 ℃. The crystal structure of the prepared samples was characterized by X-ray diffraction analysis (XRD). Infrared spectroscopy (IR) was used to identify the surface hydroxyl groups. Thermal stability was confirmed by differential scanning calorimetry-thermogravimetric analysis (DSC-TGA) whereas field emission scanning electron microscopy (FESEM) was used to study the surface morphology of nanoparticles. Results Results revealed the formation of hexagonal wurtzite structure of irregular shaped nanoparticles having size ranging from 50–100 nm. However, the particles combined to form agglomerates of 200–400 nm with the rise in calcination temperature. Conclusions These results indicate that nanosize zinc oxide can be synthesized successfully by a simple process comprising of glycerin as a low-cost, non-toxic and eco-friendly polyol followed by calcination at ambient temperatures.

Converting low-molecular-weight aliphatic alcohols like methanol and ethanol into value-added chemicals such as carboxylates in electrolytic cells offers low operating costs, but non-noble-metal catalysts often bring about low selectivities and overoxidation to CO2. Here, the authors report the efficient and selective electrooxidation of ethanol and methanol into acetate and formate on in-situ generated oxygen-vacancies-rich CuO nanosheets on a copper foam via ultrasonication-assisted acid-etching.

The main protease (Mpro) of SARS-CoV-2 is an important target for COVID-19 therapy. Here, a pair of genetically encoded BRET-based sensors for detecting Mpro activity are generated by sandwiching N-terminal autocleavage sites in between the mNeonGreen and NanoLuc proteins.

Antibiotic residues in wastewater are considered lethal to the crops and aquatic life. One of the promising way to treat this kind of wastewater is the use of constructed wetlands coupled with microbial fuel cell (CW-MFC). In this treatment, bacterial action and redox operation occurs at anaerobic anode and aerobic cathode respectively. Four different configurations of CW-MFCs was applied for comparison. This study focusses on the investigation of the removal of Co-trimoxazole (CMX), other co-existing pollutants and furthermore, the generation of green electricity with low hydraulic retention time (HRT) was studied. Results revealed that the effluent from configuration 1 (gravel based) had lower (CMX) concentration. This removal performance may be associated to greater electrode absorption capacity for (CMX). The removal efficiency was 92.58% at HRT of 3d and effluent concentration was 4 mg/L. On the other hand, CW-MFC1 exhibited the BOD removal (60.60%) regardless of the increasing effluent antibiotic concentration. Pure strain of Geobactor sulfereducens, adjusted with anaerobic sludge increased the bio-film growth. Maximum power density of 480.2 mW/m−3 observed for CW-MFC1. Electricity generation characteristic were also found to be effected with HRT.

This study aim to synthesize new 1,3,4-oxadiazole derivatives incorporating mefenamic acid as promising α-glucosidase and urease inhibitors, potentially leading to the treatment of postprandial hyperglycemia as well as H. pylori related disorders. In this regards, we have designed a series of Mefenamic acid derivatives. The synthetic compounds were structurally elucidated through 1H NMR, 13C NMR and HR-EIMS analysis. The biological evaluation of these derivatives against α-glucosidase and urease enzyme depicted some novel derivatives with potent inhibition against the said enzymes. All the derivatives exhibited potent inhibition against α-glucosidase enzymes with IC50 ranging from 25.81 ± 1.63–113.61 ± 1.31 µM against standard drug acarbose (IC50 = 375.82 ± 1.76 µM) while with respect to urease these derivatives possessed inhibitory potential varied between IC50 = 8.04 ± 1.01–58.18 ± 1.03 µM against the standard thiourea (IC50 = 21.0 ± 1.76 µM). The cell viability results revealed that all of the derivatives were found least cytotoxic. Furthermore, molecular docking studies of the most potent derivatives identify number of key features involved in binding interactions between potential inhibitors and the enzyme's active site.

It is of great significance to design a bifunctional electrocatalyst for promoting hydrogen (HER) and oxygen (OER) evolution reactions simultaneously. Herein, inspired by the appropriate H atom binding energy on cobalt phosphides and excellent oxygen evolution kinetics on cobalt oxides, the regulative synthesis of a Co2P–Co x O y (Co x O y = CoO or Co3O4) heterogeneous nanoparticle‐anchored porous carbon network electrocatalyst via one‐pot heat treatment is reported. The as‐synthesized Co2P–Co3O4/C exhibits superior electrochemical activity with low overpotentials of 86 mV for HER and 246 mV for OER at 10 mA cm−2 in an alkaline electrolyte. Moreover, compared to the commercial Pt/C || RuO2/C system, the Co2P–Co3O4/C || Co2P–Co3O4/C system presents outstanding activity toward overall water splitting (1.55 V@10 mA cm−2), which is well maintained over long‐term (120 h) electrocatalysis. Density functional theory calculations show that the rich interfaces between Co2P and Co3O4 offer a synergistic effect, which enables Co2P–Co3O4/C as an excellent electrocatalyst toward both HER and OER.

Perovskite solar cells (PSCs) have demonstrated remarkable photovoltaic performance, positioning themselves as promising devices in the field. Theoretical calculations suggest that copper (Cu) can serve as an effective dopant, potentially occupying interstitial sites in the perovskite structure, thereby reducing the energy barrier and enhancing carrier extraction. Subsequent experimental investigations confirm that adding CuI as an additive to MAPbI3-based perovskite cells improves optoelectronic properties and overall device performance. Optimizing the amount of Cu (0.01 M) has been found to significantly enhance crystalline quality and grain size, leading to improved light absorption and suppressed carrier recombination. Consequently, the power conversion efficiency (PCE) of Cu-doped PSCs increased from 16.3% to 18.2%. However, excessive Cu doping (0.1 M) negatively impacts morphology, resulting in inferior optical properties and diminished device performance. Furthermore, Cu-doped PSCs exhibit higher stabilized power output (SPO) compared to pristine cells. This study underscores the substantial benefits of Cu doping for advancing the development of highly efficient PSCs.

The integration of topology optimization into additive manufacturing provides unmatched possibilities for the sustainable manufacturing of lightweight, intricate, custom parts with less material at a lower production time and cost. This study aims to apply and benchmark topology optimization methods, in conjunction with additive manufacturing, to enhance the design of functional components used in aerospace applications, while simultaneously providing an experimental verification and comparative analysis of such optimization techniques. This approach was applied to an industrial bracket used in aerospace applications, which was optimized with the aim of weight reduction without sacrificing its original mechanical stiffness. A density-based technique and a level-set method were used to perform the analysis and optimization, whereas fabrication was performed using fused deposition modeling. Finally, a compression and tensile testing machine was employed for the testing, verification, and comparison of the exhibited mechanical strength for the whole range of printed parts, under the same load conditions. The optimized designs achieved a 20% weight reduction while maintaining the compression displacement of the initial components at the given load. The achieved results demonstrate that topologically optimized components can significantly enhance the design of real-life components, such as those used in the weight-sensitive industrial applications considered in this work.

To investigate the effect of the therapeutic treatment of the immunopeptide, peptide inhibitor of trans-endothelial migration (PEPITEM) on the severity of disease in a mouse model of experimental autoimmune encephalomyelitis (EAE) as a model for human multiple sclerosis (MS), a series of experiments were conducted. Using C57BL/6 female mice, we dosed the PEPITEM in the EAE model via IP after observing the first sign of inflammation. The disease was induced using MOG35-55 and complete Freund’s adjuvants augmented with pertussis toxin. The EAE score was recorded daily until the end of the experiment (21 days). The histological and immunohistochemistry analysis was conducted on the spinal cord sections. A Western blot analysis was performed to measure the protein concentration of MBP, MAP-2, and N-Cadherin, and ELISA kits were used to measure IL-17 and FOXP3 in the serum and spinal cord lysate. The therapeutic treatment with PEPITEM reduced the CNS infiltration of T cells, and decreased levels of the protein concertations of MBP, MAP-2, and N-Cadherin were observed, in addition to reduced concertations of IL-17 and FOXP3. Using PEPITEM alleviated the severity of the symptoms in the EAE model. Our study revealed the potential of PEPITEM to control inflammation in MS patients and to reduce the harmful effects of synthetic drugs.

Pathological cardiac remodeling is associated with cardiovascular disease and can lead to heart failure. Nuclear factor-kappa B (NF-κB) is upregulated in the hypertrophic heart. Moreover, the expression of the G-protein-coupled receptor kinase 2 (GRK2) is increased and linked to the progression of heart failure. The inhibitory effects of paroxetine on GRK2 have been established. However, its protective effect on IκBα/NFκB signaling has not been elucidated. This study investigated the cardioprotective effect of paroxetine in an animal model of cardiac hypertrophy (CH), focusing on its effect on GRK2-mediated NF-κB-regulated expression of prohypertrophic and profibrotic genes. Wistar albino rats were administered normal saline, paroxetine, or fluoxetine, followed by isoproterenol to induce CH. The cardioprotective effects of the treatments were determined by assessing cardiac injury, inflammatory biomarker levels, histopathological changes, and hypertrophic and fibrotic genes in cardiomyocytes. Paroxetine pre-treatment significantly decreased the HW/BW ratio (p < 0.001), and the expression of prohypertrophic and profibrotic genes Troponin-I (p < 0.001), BNP (p < 0.01), ANP (p < 0.001), hydroxyproline (p < 0.05), TGF-β1 (p < 0.05), and αSMA (p < 0.01) as well as inflammatory markers. It also markedly decreased pIκBα, NFκB(p105) subunit expression (p < 0.05) and phosphorylation. The findings suggest that paroxetine prevents pathological cardiac remodeling by inhibiting the GRK2-mediated IκBα/NF-κB signaling pathway.

Based on a few noteworthy features, cerium oxide nanoparticles have gained significance in nanotechnology. The effective microwave combustion method (MCM) and the conventional sol–gel (CRSGM) technologies are used in this study to successfully generate the crystalline CeO2 nanoparticles (NPs). Additionally, using a variety of spectroscopic and analytical methods, the synthesized CeO2 NPs are examined to assess to understand their structure and morphology. The XRD patterns of CeO2 NPs show that the structure exhibits a face-centered cubic lattice. Then, with demonstrated good conversion and selectivity, the impact of the epoxidation reaction of cyclohexene was examined. Finally, it can be said that using CeO2 nanoparticles is an efficient strategy to increase the catalytic activity toward the epoxidation reaction of cyclohexene. In the presence of acetonitrile as a solvent and H2O2 as an oxidant, the catalyst samples utilized in the cyclohexene epoxidation reaction were examined. In this study, the CeO2 catalyst outperformed all other catalysts in terms of cyclohexene maximal conversion and selectivity. After six prolonged cycles, the conversion of cyclohexene oxidation using CeO2 NPs shows reasonable recyclability and conversion efficiency, making it the best catalyst for an industrial production application.Additionally, the upgraded CeO2 nanoparticle electrode for nitrite detection has a linear concentration range (0.02–1200 M), a low detection limit (0.22 M), and a higher sensitivity (1.735 A M−1 cm−2). CeO2 NPs, on the other hand, have a quick response time, excellent sensitivity, and high selectivity. Additionally, the manufactured electrode is used to find nitrite in various water samples. Finally, it can be said that using CeO2 NPs is an efficient strategy to increase the catalytic activity toward cyclohexene oxidation and nitrite.

Density functional theory (DFT) calculations based on the BLYP-D4 and PBEh-3c composite methods were performed for investigating the encapsulation mode of pentachlorophenol (PCP) inside the cavity of β-cyclodextrin (β-CD). Different quantum chemical parameters such as HOMO, LUMO, and HOMO–LUMO gap were calculated. Complexation energies were computed at the molecular level to provide insight into the inclusion of PCP inside the β-CD cavity. The Independent gradient model (IGM) approach was applied to characterize the non-covalent interactions that occurred during the complex (PCP@β-CD) formation. Two modes of inclusion were considered in this work (modes A and B). Calculated complexation energies as well as the changes in enthalpy, entropy, and free Gibbs energy exhibit negative values for both modes A and B, indicating a thermodynamically favorable process. Weak Van der Waals interactions and one strong intermolecular hydrogen bond act as the main driving forces behind the stabilization of the formed most stable complex. This study was carried out to explore the potential use of the β-CD as a host macrocycle for sensing and capturing pentachlorophenol.