ALLOPURINOL TREATMENT IMPROVES INSULIN RESISTANCE IN NON-DIABETIC PATIENTS WITH RENAL STONE.

Hyperuricemia is an objective risk factor of derangement of fasting serum glucose and type 2 diabetes (T2D), yet whether hyperuricemia has a causative influence on insulin resistance is still debatable. In this study, we tested the hypothesis that lowering uric acid in hyperuricemic nondiabetic subjects might improve insulin resistance. Patients with renal stone and hyperuricemia (n=15) were recruited from the private clinic of Ib-Sina Local Teaching Hospital in Mosul city and prospectively placed on allopurinol (300mg/day) for 6 months. Serum uric acid (SUA), fasting serum glucose (FSG), fasting insulin, and C-peptide were measured using commercial kits. Results confirmed that allopurinol has significantly (P<0.05) reduced c-peptide and insulin together with a non-significant (p>0.05) reduction of serum glucose levels. In conclusion, allopurinol has improved insulin level and glycemic control in a healthy individual, these findings could be used as a template for using allopurinol in diabetic patients to improve glycemic control or future studies could be directed toward structural modification of allopurinol which hopefully might lead to innovation of new antidiabetic drugs.

Enhancing cellulose-stabilized multiphase/Pickering emulsions systems: A molecular dynamics perspective.

Cellulose stabilized multiphase systems (CSMS) have garnered significant attention due to their ultra-stabilization mechanism and vast potential across different fields. CSMS have found valuable applications in scientific disciplines, including Food Science, Pharmaceutical Science, Material Science, and related fields, owing to their beneficial attributes such as sustainability, safety, renewability, and non-toxicity. Furthermore, MPS exhibit novel characteristics that enable multiple mechanisms to produce HIPEs, aerogels, and oleogels revealing undiscovered information. Therefore, to explore the undiscovered phenomena of MPS, molecular level insights using advanced simulation/computational approaches are essential. The molecular dynamics simulation (MDS), play a valuable role in analyzing the interactions of ternary interphase. The MDS have successfully quantified the interactions of MPS by generating, visualizing, and analyzing trajectories. Through MDS, researchers have explored CSMS at the molecular level and advanced their applications in 3D printing, packaging, preparation, drug delivery, encapsulation, biosensors, electronic devices, biomaterials, and energy conservation. This review highlights the remarkable advancements in CSMS over the past five years, along with contributions of MDS in evaluating the relationships that dictate the functionality and properties of CSMS. By integrating experimental and computational methods, we underscore the potential to innovate and optimize these multiphase systems for groundbreaking applications.

Development of chitosan-based edible film incorporated with purified flavonoids from Moringa oleifera: Structural, thermal, antibacterial activity and application.

Purified flavonoids (PF) from Moringa oleifera leaves were incorporated in chitosan (CS) polymer at different concentrations (0.5-4%) to produce a novel edible film. The physical, structure, mechanical, and bio-functional characterizations of the film were evaluated. The incorporation of PF significantly (p < 0.05) improved the thickness, solubility, swelling, and color of CS-films. Incorporating 4% of Moringa oleifera purified flavonoids (MOPF) improved the water vapor permeability from 8.85 to 2.47 g-1 s-1 Pa-1, and increased the film surface heterogeneity observed by SEM. Results also indicated that PF enhanced the mechanical properties and thermal stability of CS-films. The FTIR results indicated alterations in the CS-MOPF composite films' characteristics. Additionally, the incorporation of MOPF increased the antioxidation capacity. Furthermore, 4% of MOPF inhibited the activity of pathogenic bacteria in packed beef burgers. These results suggest that CS-MOPF composite films with enhanced technological and bio-functional properties could be industrially applied to increase the shelf-life of packaged foods.

Peganum harmala L. extract-based Gold (Au) and Silver (Ag) nanoparticles (NPs): Green synthesis, characterization, and assessment of antibacterial and antifungal properties.

During the last decade, nanotechnology has attained a significant place among the scientific community for the biosynthesis of plant-based nanoparticles owing to its effective, safe, and eco-friendly nature. Hence, keeping in view the significance of nanotechnology, the current study was conducted to develop, characterize (UV-visible spectroscopy, scanning electron microscopy, Fourier-transform infrared spectroscopy, and energy-dispersive X-ray spectroscopy), and assess the antimicrobial (antibacterial and antifungal) properties of Peganum harmala L. Extract-based Gold (Au) and Silver (Ag) nanoparticles (NPs). Characteristic absorption peaks at 420 and 540 nm revealed the formation of AgNPs and AuNPs, respectively. SEM images revealed that both silver and gold nanoparticles were oval and spherical with average size ranging from 42 to 72 and 12.6 to 35.7 nm, respectively. Similarly, FT-IR spectra revealed that the functional groups such as hydroxyl, carboxyl, and polyphenolic groups of biomolecules present in the extract are possibly responsible for reducing metallic ions and the formation of nanoparticles. Likewise, the EDX analysis confirmed the presence of silver and gold in synthesized NPs. Furthermore, the AgNPs and AuNPs showed good antibacterial and antifungal activities. The maximum antibacterial and antifungal activity was noticed for P. harmala extract against Pseudomonas aeroginosa (21 mm) and Candida albicon (18 mm), respectively. Whereas, the maximum antibacterial and antifungal activities of synthesized AgNPs were observed against Salmonella typhi (25 mm) and Penicillium notatum (36 mm), respectively. Moreover, in the case of AuNPs, the highest antibacterial and antifungal activity of synthesized AuNPs was noticed against Escherichia coli (25 mm) and C. albicon (31 mm), respectively. Findings of this study revealed that P. harmala extract and biosynthesized NPs (silver and gold) possessed significant antibacterial and antifungal properties against different bacterial (Bacillus subtilis, Staphylococcus aureus, E. coli, P. aeroginosa, and S. typhi) and fungal (C. albicans, Aspergillus Niger, and P. notatum) strains. Further studies must be carried out to assess the probable mechanism of action associated with these antimicrobial properties.

Enhanced fluorometric detection of histamine using red emissive amino acid-functionalized bimetallic nanoclusters.

Lysine-capped gold nanoclusters doped with silver (LYS@Ag/Au NCs) have been developed for the sensitive and selective "turn-off" fluorescence detection of histamine. This fluorescent probe demonstrates excellent stability and a high quantum yield of 9.45%. Upon addition of histamine, a positively charged biogenic amine, to the LYS@Ag/Au NCs fluorescent probe, its fluorescence emission is quenched due to electrostatic interaction, aggregation, and hydrogen bond formation. The probe exhibits good sensitivity for the determination of histamine within the range of 0.003-350 µM, with a detection limit of 0.001 µM based on a signal-to-noise ratio of 3. Furthermore, the probe has been applied to detect biogenic amines in complicated matrices, highlighting its potential for practical applications. However, interference from the analogue histidine was observed during analysis, which can be mitigated by using a Supelclean™ LC-SAX solid-phase extraction column for removal.

Positive effects of extracellular polysaccharides from Paecilomyces hepiali on immune-enhancing properties by regulating gut microbiota in cyclophosphamide-induced mice.

Paecilomyces hepiali is a precious health-care edible medicinal fungus with rich polysaccharides and exhibits various biological activities. Polysaccharides from P. hepiali fermentation broth (PHP) exhibits good immunomodulatory activity; however, the mechanism underlying PHP-mediated regulation of immunity and gut microbiota remains unclear. To reveal the mechanisms, PHP of different doses were used to intervene cyclophosphamide (CTX)-induced immunosuppressive model mice. The results revealed that PHP facilitated the secretion of serum cytokines, increased the mRNA and protein expression of TLR4/NF-κB signaling pathway. Furthermore, it improved the physical barrier function of the intestine by upregulating the expression of tight junction proteins. PHP increased the proliferation of beneficial bacteria, including, Actinobacteriota, Alistipes, Candidatus_Saccharimonas and unclassified_Clostridia_vadinBB60_group, and reduced the abundance of Proteobacteria, Deferribacterota, Mucispirillum and Escherichia_Shigella, promoted the production of short-chain fatty acids, which were positively associated with immune traits. Thus, as an immune enhancer, PHP has the potential to regulate the intestinal immune response in immunosuppressed mice through modulating gut microbiota.

Dual modulation of blue-fluorescent carbon dots for simultaneous detection of topotecan and pantoprazole.

This study introduces a novel approach for the simultaneous determination of topotecan (TOP) and pantoprazole (PNT), two drugs whose interaction is critical in clinical applications. The significance of this study originates from the need to understand the pharmacokinetic changes of TOP after PNT administration, which can inform necessary dose adjustments of TOP. To achieve this, nitrogen blue emissive carbon dots (B@NCDs) were produced and employed due to their unique fluorescent properties. When TOP is added to B@NCDs, it exhibits strong native fluorescence at 545 nm without influencing the B@NCDs' fluorescence at 447 nm. Conversely, PNT causes quenching of B@NCDs fluorescence, a property that enables the distinct detection of both drugs. The B@NCDs were fully characterized using different techniques, including ultraviolet-visible spectrophotometry, fluorescence analysis, X-ray diffraction (XRD), transmission electron microscopy (TEM), and FTIR spectroscopy. The proposed method demonstrated excellent linearity, selectivity, and sensitivity, with low detection limits (LOD, S/N = 3); 0.0016 µg mL-1 for TOP and 0.36 µg mL-1 for PNT. Applied to spiked rabbit plasma samples, this method offers a new approach for evaluating the pharmacokinetic interaction between TOP and PNT. It enables the determination of all pharmacokinetic parameters of TOP before and after coadministration with PNT, providing essential insights into whether dose adjustments are necessary. This research not only contributes to the field of drug monitoring and interaction studies but also exemplifies the potential of B@NCDs in complex biological matrices, paving the way for further pharmacological and therapeutic applications.

Enhanced fluorescent detection of oxaliplatin via BSA@copper nanoclusters: a targeted approach for cancer drug monitoring.

A new fluorescence sensing approach has been proposed for the precise determination of the anti-cancer drug oxaliplatin (Oxal-Pt). This method entails synthesizing blue-emitting copper nanoclusters (CuNCs) functionalized with bovine serum albumin (BSA) as the stabilizing agent. Upon excitation at 360 nm, the resultant probe exhibits emission at 460 nm. Notably, the fluorescence response of BSA@CuNCs substantially increases upon incubation with Oxal-Pt due to multiple binding interactions between the drug and the fluorescent probe. These interactions involve hydrogen bonding, hydrophobic interaction, and the high affinity between the SH groups (cysteine residues of BSA) and platinum (in Oxal-Pt). Consequently, this interaction induces aggregation-induced emission enhancement (AIEE) of BSA@CuNCs. The probe demonstrates a broad response range from 0.08 to 140.0 µM, along with a low detection limit of 20.0 nM, determined based on a signal-to-noise ratio of 3. Furthermore, the probe effectively detects Oxal-Pt in injections, human serum, and urine samples, yielding acceptable results. This study represents a significant advancement in the development of a straightforward and efficient sensor for monitoring platinum-containing anti-cancer drugs during chemotherapy.

Ratiometric Sensing of Azithromycin and Sulfide Using Dual Emissive Carbon Dots: A Turn On-Off-On Approach.

A novel ratiometric fluorescence probe was developed for the determination of azithromycin (AZM) and sulfide ions based on the differential modulation of red emissive carbon dots (R-N@CDs) and blue emissive carbon dots (B-NS@CDs). The addition of sulfide anion selectively quenched the red emission of R-N@CDs while the blue emission of B-NS@CDs unaffected. Upon subsequent introduction of AZM to this R-N@CDs@sulfide system, the quenched red fluorescence was restored. Comprehensive characterization of the CDs was performed using UV-Vis, fluorescence, FTIR spectroscopy, XPS, and TEM. The proposed method exhibited excellent sensitivity and selectivity, with limits of detection of 0.33 µM for AZM and 0.21 µM for sulfide. Notably, this approach enabled direct detection of sulfide without requiring prior modulation of the CDs with metal ions, as is common in other reported methods. The ratiometric probe was successfully applied for the determination of AZM in biological fluids and sulfide in environmental water samples with high selectivity. This work presents the first fluorometric method for the detection of AZM in biological fluids.

First evidence for human occupation of a lava tube in Arabia: The archaeology of Umm Jirsan Cave and its surroundings, northern Saudi Arabia.

Recent advances in interdisciplinary archaeological research in Arabia have focused on the evolution and historical development of regional human populations as well as the diverse patterns of cultural change, migration, and adaptations to environmental fluctuations. Obtaining a comprehensive understanding of cultural developments such as the emergence and lifeways of Neolithic groups has been hindered by the limited preservation of stratified archaeological assemblages and organic remains, a common challenge in arid environments. Underground settings like caves and lava tubes, which are prevalent in Arabia but which have seen limited scientific exploration, offer promising opportunities for addressing these issues. Here, we report on an archaeological excavation and a related survey at and around Umm Jirsan lava tube in the Harrat Khaybar, north-western Saudi Arabia. Our results reveal repeated phases of human occupation of the site ranging from at least the Neolithic through to the Chalcolithic/Bronze Age. Pastoralist use of the lava tube and surrounding landscape is attested in rock art and faunal records, suggesting that Umm Jirsan was situated along a pastoral route linking key oases. Isotopic data indicates that herbivores primarily grazed on wild grasses and shrubs rather than being provided with fodder, while humans had a diet consistently high in protein but with increasing consumption of C3 plants through-time, perhaps related to the emergence of oasis agriculture. While underground and naturally sheltered localities are globally prominent in archaeology and Quaternary science, our work represents the first such combined records for Saudi Arabia and highlight the potential for interdisciplinary studies in caves and lava tubes.

A multi-modal approach to investigate Desmodium gangeticum's influence on stress-induced male infertility: In vivo, in vitro, and in silico assessments.

Physical and psychological stress has an inverse relation with male libido and sperm quality. The present study investigates the potential fertility-enhancing properties of Desmodium gangeticum (DG) root extracts in male Wister rats subjected to immobilization-induced stress (SIMB). DG roots were extracted using n-hexane (HEDG), chloroform (CEDG), and water (AEDG). In the pilot study, aphrodisiac protentional was investigated at two doses (125 and 250 mg kg-1) of each extract. In the main study, the HEDG and AEDG at 125 and 250 mg kg-1 were challenged for the stress by immobilization (SIMB), for 6 h daily over 28 days. Parameters assessed included aphrodisiac effects, gonadosomatic index (GSI), semen quality, sperm quantity, fructose content, serum hormonal levels, testicular oxidative stress, and testicular histopathology. Additional in silico studies, including the lipid solubility index, molecular docking, molecular dynamics, and SymMap studies were conducted for validation. HEDG demonstrated significant aphrodisiac activity, improved - GSI, sperm quality and quantity, and fructose content, serum testosterone levels, histological changes induced by SIMB in the testes. Swiss ADME studies indicated Gangetin (a pterocarpan) had a high brain permeation index (4.81), a superior docking score (-8.22), and higher glide energy (-42.60), compared with tadalafil (-7.17). The 'Lig fit Prot' plot in molecular dynamics simulations revealed a strong alignment between Gangetin and phosphodiesterase type 5 (PDE5). HEDG exerts aphrodisiac effects by increasing blood testosterone levels and affecting PDE5 activity. The protective effects on spermatozoa-related parameters and testicular histological changes are attributed to the antioxidant and anti-inflammatory properties, of pterocarpan (gangetin).

Ultrasensitive fluorometric determination of aluminum using the CoFe2O4 NPs/SDS/oxine system with the aid of ultrasound waves.

In this study, we present a thoughtful integration of a dispersive solid-phase sorbent and oxine for the ultrasensitive and highly selective determination of Al3+ ions. Cobalt ferrite nanoparticles (CoFe2O4 NPs) modified with oxine were employed to facilitate the pre-concentration and estimation of Al3+, forming highly fluorescent chelate. The modification process included the assistance of sodium dodecyl sulfate (SDS) and sonication. The results indicated that the fluorescence intensity of Al3+-oxine/SDS@CoFe2O4 NPs surpassed that of Al3+-oxine alone. The confirmation of the successful functionalization of CoFe2O4 NPs with oxine was established through various techniques. Under optimal conditions, the fluorescence intensity exhibited a positive correlation with increasing concentrations of Al3+ within the range of 0.029-600 ng mL-1, achieving a detection limit of 0.0087 ng mL-1 based on signal to noise ratio 3 : 1. The developed method was effectively applied to the determination of Al3+ in drinking water samples, yielding recoveries in the range of 97.19% to 103.13%, with a relative standard deviation (RSD%) not exceeding 3.78%.

Green synthesis of silver and gold nanoparticles in Callistemon viminalis extracts and their antimicrobial activities.

In the current study, the bottlebrush [Callistemon viminalis (Sol. ex Gaertn.) G. Don] plant was selected for the green synthesis of silver (Ag) and gold (Au) nanoparticles and to evaluate its antibacterial and antifungal activities. Phytochemical screening of C. viminalis confirmed the presence of alkaloids, anthraquinones, saponins, tannins, betacyanins, phlobatanins, coumarins, terpenoids, steroids, glycosides, and proteins. To characterize the synthesized Ag and Au NPs, UV-Visible spectroscopy, FTIR spectroscopy for functional group identification, field emission scanning electron microscopy (FE-SEM) for particle size, and elemental analysis were performed using EDX. The UV-Visible absorption spectra of the green-synthesized Ag and Au nanoparticles were found to have a maximum absorption band at 420 nm for Ag NPs and 525 nm for Au NPs. FE-SEM analysis of the synthesized NPs revealed a circular shape with a size of 100 nm. Elemental analysis was performed for the synthesis of Ag and Au NPs, which confirmed the purity of the nanoparticles. The greenly synthesized Ag and Au NPs were also evaluated for their anti-bacterial and anti-fungal activities, which exhibited prominent inhibition activities against Escherichia coli, Staphylococcus aureus, Klebsiella pneumoniae, Pseudomonas aeruginosa, Candida albicans, C. krusei, Aspergillus sp., and Trichoderma species. The highest zone of inhibition 15.5 ± 0.75 and 15 ± 0.85 mm was observed for Ag NPs against E. coli and P. aeruginosa. Similarly, Trichoderma sp. and Aspergillus sp. were inhibited by Ag NPs up to 13.5 ± 0.95 and 13 ± 0.70 mm. This work will open doors for the development of new antimicrobial agents using green chemistry.

Discovery of new α-glucosides, antiglycation agent, and in silico study of 2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-3-methoxy-4H-chromen-4-one isolated from Pistacia chinensis.

Pistacia chinensis is locally practiced for treating diabetes, pain, inflammation, and erectile dysfunction. Therefore, the current studies subjected the crude extract/fractions and the isolated compound (2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-3-methoxy-4H-chromen-4-one) to α-glucosidase inhibitor and anti-glycation activities. The development of long-term complications associated with diabetes is primarily caused by chronic hyperglycemia. Regarding α-glucosidase, the most significant inhibitory effect was observed with compound 1 (93.09%), followed by the methanolic extract (80.87%) with IC50 values of 45.86 and 86.32 µM. The maximum anti-glycation potential was shown by an isolated compound 1 followed by methanolic extract with effect inhibition of 90.12 and 72.09, respectively. Compound 1 is expected to have the highest gastrointestinal absorption rate, with a predicted absorption rate of 86.156%. This indicates oral suitability. The compound 1 is expected to have no harmful effects on the liver. In addition, our docking results suggest that alpha-glucosidase and isolated compounds showed strong interaction with ILE821, GLN900, and ALA901 residues, along with a -11.95 docking score.

Surface engineering of carbon microspheres with nanoceria wrapped on MWCNTs: a dual electrocatalyst for simultaneous monitoring of molnupiravir and paracetamol.

In the present study, nanoceria-decorated MWCNTs (CeNPs@MWCNTs) were synthesized using a simple and inexpensive process. Molnupiravir (MPV) has gained considerable attention in recent years due to the infection of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2). Since some people infected with COVID-19 experience fever and headaches, paracetamol (PCM) has been prescribed to relieve these symptoms. Therefore, there is an urgent need to monitor and detect these drugs simultaneously in pharmaceutical and biological samples. In this regard, we developed a novel sensor based on nanoceria-loaded MWCNTs (CeNPs@MWCNTs) for simultaneous monitoring of MPV and PCM. The incorporation of CeNPs@MWCNTs electrocatalyst into a glassy carbon microsphere fluorolube oil paste electrode (GCMFE) creates more active sites, which increase the surface area, electrocatalytic ability, and electron transfer efficiency. Interestingly, CeNPs@MWCNTs modified GCMFE demonstrated excellent detection limits (6.0 nM, 8.6 nM), linear ranges (5.0-5120 nM, 8.0-4162 nM), and sensitivities (78.6, 94.3 µA µM-1 cm-2) for simultaneous detection of MPV and PCM. The developed CeNPs@MWCNTs electrocatalyst modified GCMFE exhibited good repeatability, anti-interference capability, stability, and real-time analysis with good recovery results, which clearly indicates that it can be used for real-time industrial applications.

Density functional theory (DFT), molecular docking, and xanthine oxidase inhibitory studies of dinaphthodiospyrol S from Diospyros kaki L.

In this work, we investigated Diospyros kaki extract and an isolated compound for their potential as xanthine oxidase (XO) inhibitors, a target enzyme involved in inflammatory disorders. The prepared extract was subjected to column chromatography, and dinaphthodiospyrol S was isolated. Then XO inhibitory properties were assessed using a spectrophotometry microplate reader. DMSO was taken as a negative control, and allopurinol was used as a standard drug. The molecular docking study of the isolated compound to the XO active site was performed, followed by visualization and protein-ligand interaction. The defatted chloroform extract showed the highest inhibitory effect, followed by the chloroform extract and the isolated compound. The isolated compound exhibited significant inhibitory activity against XO with an IC50 value of 1.09 µM. Molecular docking studies showed that the compound strongly interacts with XO, forming hydrogen bond interactions with Arg149 and Cys113 and H-pi interactions with Cys116 and Leu147. The binding score of -7.678 kcal/mol further supported the potential of the isolated compound as an XO inhibitor. The quantum chemical procedures were used to study the electronic behavior of dinaphthodiospyrol S isolated from D. kaki. Frontier molecular orbital (FMO) analysis was performed to understand the distribution of electronic density, highest occupied molecular orbital HOMO, lowest unoccupied molecular orbital LUMO, and energy gaps. The values of HOMO, LUMO, and energy gap were found to be -6.39, -3.51 and 2.88 eV respectively. The FMO results indicated the intramolecular charge transfer. Moreover, reactivity descriptors were also determined to confirm the stability of the compound. The molecular electrostatic potential (MEP) investigation was done to analyze the electrophilic and nucleophilic sites within a molecule. The oxygen atoms in the compound exhibited negative potential, indicating that they are favorable sites for electrophilic attacks. The results indicate its potential as a therapeutic agent for related disorders. Further studies are needed to investigate this compound's in vivo efficacy and safety as a potential drug candidate.

Enhanced physical properties, antioxidant and antibacterial activity of bio-composite films composed from carboxymethyl cellulose and polyvinyl alcohol incorporated with broccoli sprout seed extract for butter packaging.

This study investigated the development of biodegradable films made from a combination of carboxymethyl cellulose (CMC), Polyvinyl alcohol (PVA), and purified extract of broccoli sprout seed (BSSE). The films were characterized for their color, physical properties, surface morphology, crystallinity, mechanical properties, and thermal properties. The addition of BSSE up to 1.4 % to the film matrix imparted opaque color and increased opacity up to 3.652. The films also became less moisture-absorbent 8.21 %, soluble 19.16 %, and permeable to water vapor 1.531 (× 10-10 g.m-1 s-1 pa-1). By utilizing 0.7 % from BSSE inside films, the surface of the films became smoother but became rough with higher concentrations 2.1 % of BSSE. Fourier transform infrared (FT-IR) analysis showed that there was physical interaction between the BSSE extract and the PV/CM matrix. The films showed good thermal stability, and the incorporation of BSSE improved their ability to preserve the acidity, TBARS, peroxide value, and total color differences of butter during cold storage.

Polysaccharides from Brassica rapa root: Extraction, purification, structural features, and biological activities. A review.

Brassica rapa (B. rapa) roots are attracting increased attention from nutritionists and health-conscious customers because of their remarkable performance in supplying necessary nutrients. Polysaccharides are major biologically active substances in B. rapa roots, which come in a variety of monosaccharides with different molar ratios and glycosidic bond types. Depending on the source, extraction, separation, and purification methods of B. rapa roots polysaccharides (BRP); different structural features, and pharmacological activities are elucidated. Polysaccharides from B. rapa roots possess a range of nutritional, biological, and health-enhancing characteristics, including anti-hypoxic, antifatigue, immunomodulatory, hypoglycemic, anti-tumor, and antioxidant activities. This paper reviewed extraction and purification methods, structural features, and biological activities as well as correlations between the structural and functional characteristics of polysaccharides from the B. rapa roots. Ultimately, this work will serve as useful reference for understanding the connections between polysaccharide structure and biological activity and developing novel BRP-based functional foods.

Phytochemicals-based ß-amyloid cleaving enzyme-1 and MAO-B inhibitors for the treatment of Alzheimer's disease: molecular simulations-based predictions.

Alzheimer's disease (AD) is among the highly prevalent neurodegenerative disorder of the aging brain and is allied with cognitive and behavioral abnormalities. Unfortunately, there is very limited drug discovery for the effective management of AD, and the clinically approved drugs have limited efficacy. Consequently, there is an immediate demand for the development of new compounds that have the ability to act as multitarget-directed ligands (MTDLs). As major pathological targets of the disease, the current study aimed to investigate lead natural bioactive compounds including apigenin, epigallocatechin-3-gallate, berberine, curcumin, genistein, luteolin, quercetin, resveratrol for their inhibitory potentials against ß-amyloid cleaving enzyme-1 (BACE1) and monoamine oxidase-B (MAO-B) enzymes. The study compounds were docked against the target enzymes (MAO-B and BACE1) using MOE software and subsequent molecular dynamics simulations (MDS) studies. The molecular docking analysis revealed that these phytochemicals (MTDLs) showed good interactions with the target enzymes as compared to the reference inhibitors. Among these eight phytocompounds, the epigallocatechin-3-gallate compound was an active inhibitor against both drug targets, with the highest docking scores and good interactions with the active residues of the enzymes. Furthermore, the docking result of the active one inhibitor in complex with the target enzymes (epigallocatechin-3-gallate/BACE1, epigallocatechin-3-gallate/MAO-B, reference/BACE1 and reference/MAO-B) were further validated by MDS. According to the findings of our study, epigallocatechin-3-gallate has the potential to be a candidate for use in the treatment of neurological illnesses like AD. This compound has MTDL potential and may be exploited to create new compounds with disease-modifying features.Communicated by Ramaswamy H. Sarma.

Facile fabrication of boron and nitrogen co-doped carbon dots for "ON-OFF-ON" fluorescence sensing of Al3+ and F- ions in water samples.

Water contamination with harmful ions has grown to be a significant environmental issue on a global scale. Therefore, the fabrication of simple, cost-effective, and reliable sensors is essential for identifying these ions. Herein, co-doping of carbon dots with new caffeine and H3BO3-derived boron (B) and nitrogen (N) was performed (BN@CDs). The as-prepared BN@CDs probe was used for the tandem fluorescence sensing of Al3+ and F- based on "ON-OFF-ON" switches. The BN@CDs nanoswitch has a high quantum yield of 44.8% with λexc. and λem. of 360 nm and 440 nm, respectively. The probe exhibited good stability with different pH, ionic-strengths, and irradiation times. The fluorescence emission of BN@CDs was decreased as the Al3+ concentration was increased with a linear range of 0.03-90 µM and a limit of detection (S/N = 3) equal to 9.0 nM. Addition of F- restored the BN@CDs emission as F- ions form a strong and stable complex with Al3+ ions [Al(OH)3F]-. Therefore, the ratio response (F/F°) was raised by raising the F- ion concentration to the range of 0.18-80 µM with a detection limit (S/N = 3) of 50.0 nM. The BN@CDs sensor exhibits some advantages over other reported methods in terms of simplicity, high quantum yield, and low detection limit. Importantly, the sensor was successfully applied to determine Al3+ and F- in various ecological water specimens with accepted results.