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Polyphenolic compounds are vital components of plants. However, their analysis is particularly difficult and challenging due to their similar chemical and structural properties. In this study, we developed a simple and reproducible HPLC-DAD protocol for determining nineteen pharmacologically important polyphenols in plant-based food samples, including fruits (apple, banana, grapefruit, peach, grapes, plum, and pear), vegetables (onion, cabbage, capsicum, garlic, lemon, tomato, potato, and spinach), and other edible items (corn, kidney beans, green tea, black tea, and turmeric). The reference standards were pooled into four different groups based on logP values and expected retention time to avoid compound co-elution. These developed methods will be useful for the qualitative and quantitative analysis of biologically important polyphenolic compounds in various food samples and botanicals. [ABSTRACT FROM AUTHOR]

Fermentation parameters, especially the duration, are important in imparting a peculiar taste and flavor to soy sauce. The main purpose of this research was to monitor metabolic changes occurring during the various time intervals of the fermentation process. NMR-based metabolomics was used to monitor the compositional changes in soy sauce during fermentation. The 1H-NMR spectra of the soy sauce samples taken from the fermentation tanks at 0 to 8 months were analyzed using 1H-NMR spectroscopy, and the obtained spectra were analyzed by multivariate statistical analysis. The Principal Component Analysis (PCA) and Partial Least Square Discriminate analysis (PLSDA) revealed the separation of samples fermented for various time durations under identical conditions. Key metabolites shown by corresponding loading plots exhibited variations in amino acids (lysine, threonine, isoleucine, etc.), acetate, glucose, fructose, sucrose, ethanol, glycerol, and others. The levels of ethanol in soy sauce increased with longer fermentation durations, which can be influenced by both natural fermentation and the intentional addition of ethanol as a preservative. The study shows that the variation in metabolite can be very efficiently monitored using 1H-NMR-based metabolomics, thus suggestion to optimize the time duration to get the soy sauce product with the desired taste and flavor. [ABSTRACT FROM AUTHOR]

This study aimed to develop a cost-effective and eco-friendly mosquito-repellent textile finish based on microcapsules incorporated with limonene, camphor, linalool, menthol, and 1-octanol individually. Essential oil-based microcapsules were prepared by the emulsion extrusion microencapsulation method. The concentration of active components was determined by the gas chromatography-mass spectrometry (GC-MS) technique at different time intervals. The prepared microcapsules were incorporated into the textile finish to prepare an insect-repellent finish and applied to polyester: cotton (40:60) fabric using a conventional pad-dry cure method. Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM) analyses were performed to ensure the presence and stability of essential oil components on the fabric. FT-IR spectra showed that peaks observed in the range of (3400–3200 cm−1) and (1720–1600 cm−1) correspond to –OH stretching and bending vibrations in both untreated and microencapsulated essential oil-treated fabric. Mosquito-repellent activity was assessed by exposing treated and untreated fabric to mosquitoes. To study the long-lasting impact of microencapsulation of essential oil components on fabric, mosquito repellency was repeated every 10 to 50 days. Fabrics treated with microencapsulated essential oil components presented higher and longer-lasting protection from mosquitoes than untreated fabrics. Menthol (97%), linalool (93%), and limonene (93%) encapsulated finishes showed significantly higher repellency (>90%) as compared with octanol finishes. The studied mosquito repellent finishes could be ideal candidates for textile finishing industries. [ABSTRACT FROM AUTHOR]

One of the key concerns in public health is food security in the food sector. Due to the large amounts of potentially hazardous metals in wastewater, this practice may pose serious environmental and health risks to neighboring residents. In this study, the health effects of heavy metals in vegetables irrigated with wastewater were studied. The findings indicated a massive accumulation of heavy metals in wastewater-irrigated soil and vegetables collected from Bhakkar, Pakistan. The current study looked at the effects of wastewater irrigation on metal buildup in the soil–plant continuum and the health hazards that come with it (Cd, Co, Ni, Mn, Pb, and Fe). Heavy metal concentrations in vegetables cultivated on soil irrigated with untreated wastewater were not significantly lower (p ≥ 0.05) than in vegetables grown on wastewater-irrigated soil and were below the World Health Organization's recommended limits. A considerable amount of the selected hazardous metals was also swallowed by adults and children who consumed these vegetables, according to the research. On soil that had received wastewater irrigation, Ni and Mn were substantially different at p ≥ 0.001 levels. Pb, Ni, and Cd had health risk scores higher than the ones in all ingested vegetables, while Mn had a health risk score greater than the ones in turnips, carrots, and lettuce. The results also showed that both adults and children who consumed these vegetables absorbed a significant amount of the chosen toxic metals. Pb and Cd were shown to be the most dangerous chemical compounds to human health, and everyday consumption of agricultural plants irrigated with wastewater may pose a health risk, according to the health risk criteria. [ABSTRACT FROM AUTHOR]

Ginger (Zingiber officinale Rosc; Zingiberaceae family) is an herb commonly used as a spice and remedy for a broad spectrum of diseases. The essential oil extracted from ginger is an effective antioxidant, anti-inflammatory, and antifungal agent. The present study has investigated the variations in yield and chemical composition of essential oils of two cultivars (Chinese and Thailand) of ginger locally available in Pakistan. Two different drying pretreatments were employed to observe the changes in compositional variations of the essential oils of ginger. The essential oil extracted from fresh, oven-dried, and sun-dried samples of two different cultivars of ginger was analyzed using gas chromatography-mass spectrometry (GC-MS). The essential oil yield was found to be highest for the sun-dried sample of each variety. The major compounds (>4%) overall in the essential oil of fresh, oven-dried, and sun-dried ginger samples from Thailand origin were camphene, 3-carene, o-cymene, caryophyllene, α-curcumene, sabinol trans, citral, and santalol. Major compounds overall in the essential oil of fresh, oven-dried, and sun-dried ginger samples of Chinese origin were α-pinene, Camphene, limonene, longicyclene, copaene, longifolene, β-sesquiphellandrene, alloaromadendrene, γ-muurolene, α-curcumene, α-farnesene, and citral. The inter-varietal variations and pretreatment methods considerably affected yield and chemical composition. Cluster analysis was performed to validate the results further. Significantly varying compounds responsible for the significant variation among varieties and treatments of the ginger were identifies by using the heat map. There was clear differentiation among Chinese and Thailand varieties due to the variation in the concentrations of the volatile compounds. The results obtained can be helpful for the ginger growers and end users to choose the ginger variety and the way of use that is more beneficial. [ABSTRACT FROM AUTHOR]

Methotrexate-loaded oil-in-water nanoemulsion formulations were prepared using the high shear homogenization technique. A drug excipient study (ATR-FTIR) was carried out to investigate the compatibility between the drug, the polymers, and its admixtures. The thermal stability of the nanoemulsion formulations was evaluated by subjecting them to a heating and cooling cycle. The prepared nanoemulsion formulations (FNE1 to FNE6) were evaluated for particle size, PDI value, and entrapment efficiency (EE). They were analyzed for morphological information using transmission electron microscopy. The drug (methotrexate)-loaded nanoemulsion formulations (FNE2, FNE4, and FNE6) were then converted into nanoemulsion gel formulations by adding 1% chitosan (polymer) as a gelling agent. The nanoemulsion gel formulations (FNEG2, FNEG4, and FNEG6) were investigated for physicochemical parameters, viscosity, spreadability, extrudability, drug content, and skin irritation. Various penetration enhancers (olive oil, clove, and almond oil) were employed to examine the potency of the prepared nanoemulsion gel formulations. In vitro drug release, ex vivo permeation, skin drug retention, and stability tests were carried out for evaluation of the prepared nanoemulsion gel formulations (FNEG2, FNEG4, and FNEG6). The data obtained from the in vitro study were subjected to the kinetic model, and the Korsemeyer–Peppas model was best fitted to the data. The nanoemulsion gel formulation FNEG6 showed the maximum controlled drug release and followed an anomalous, non-Fickian release mechanism. The use of almond oil in the preparation of the nanoemulsion gel formulation FNEG6 helped the penetration of the drug across stratum corneum and the restructuring of the properties of skin and resulted in a higher penetration and retention of methotrexate in a deeper layer of the skin. The current study concluded that the methotrexate-loaded nanoemulsion gel formulation FNEG6 showed the best optimum release, permeation, and retention results as compared to the available oral tablets' formulations, followed by a low serum concentration and the maximum drug retention, which is beneficial in treating skin infections and reducing systemic toxicity. [ABSTRACT FROM AUTHOR]

β-thalassemia is one of the most common monogenic disorders and a life-threatening health issue in children. A cost-effective and safe therapeutic approach to treat this disease is to reactivate the γ-globin gene for fetal hemoglobin (HbF) production that has been silenced during infancy. Hydroxyurea (HU) is the only FDA approved HbF inducer. However, its cytotoxicity and inability to respond significantly in all patients pose a need for an HbF inducer with better efficacy. The study describes the serum metabolic alteration in β-YAC transgenic mice treated with Tenofovir disoproxil fumarate (TDF) (n = 5), a newly identified HbF inducer, and compared to the mice groups treated with HU (n = 5) and untreated control (n = 5) using gas chromatography-mass spectrometry. Various univariate and multivariate statistical analyses were performed to identify discriminant metabolites that altered the biological pathways encompassing galactose metabolism, lactose degradation, and inositol. Furthermore, the decreased concentrations of L-fucose and geraniol in TDF-treated mice help in recovering towards normal, decreasing oxidative stress even much better than the HU-treated mice. The proposed study suggested that TDF can reduce the deficiency of blood required for β-thalassemia and can be used for the preclinical study at phase I/II for fetal hemoglobin production. [ABSTRACT FROM AUTHOR]

Background: Hydrazides play a vital role in making biologically active compounds in various fields of chemistry. These determine antioxidant, antidepressant, antimalarial, anti-inflammatory, antiglycating, and antimicrobial activity. In the present study, twenty-three new N′ benzylidene-4-(tert-butyl)benzohydrazide derivatives (4–26) were synthesized by the condensation of aromatic aldehydes and commercially available 4-(tert-butyl)benzoic acid. All the target compounds were successfully synthesized from good to excellent yield; all synthesized derivatives were characterized via spectroscopic techniques such as HREI-MS and 1H-NMR. Synthesized compounds were evaluated for in vitro urease inhibition. All synthesized derivatives demonstrated good inhibitory activities in the range of IC50 = 13.33 ± 0.58–251.74 ± 6.82 µM as compared with standard thiourea having IC50 = 21.14 ± 0.425 µM. Two compounds, 6 and 25, were found to be more active than standard. SAR revealed that electron donating groups in phenyl ring have more influence on enzyme inhibition. However, to gain insight into the participation of different substituents in synthesized derivatives on the binding interactions with urease enzyme, in silico (computer simulation) molecular modeling analysis was carried out. [ABSTRACT FROM AUTHOR]

Silver nanoparticles (AgNPs) are commonly used in numerous consumer products, including textiles, cosmetics, and health care items. The widespread usage of AgNPs results in their unavoidable discharge into the ecosystem, which pollutes the aquatic, groundwater, sediments, and marine environments. These nanoparticles (NPs) activate the production of free radicals reactive species in aquatic organisms that interrupt the functions of DNA, cause mitochondrial dysfunction, and increase lipid peroxidation, which terminates the development and reproduction both in vivo and in vitro. The life present in the aquatic ecosystem is becoming threatened due to the release and exploitation of AgNPs. Managing the aquatic ecosystem from the AgNP effects in the near future is highly recommended. In this review, we discussed the background of AgNPs, their discharge, and uptake by aquatic organisms, the mechanism of toxicity, different pathways of cytotoxicity, and bioaccumulation, particularly in aquatic organisms. We have also discussed the antimicrobial activities of AgNPs along with acute and chronic toxicity in aquatic groups of organisms. [ABSTRACT FROM AUTHOR]

Polyphenols are natural antioxidants and play a vital role in inhibiting oxidative stress induced by the body's free radicals. Banana peels are a significant agro-industrial waste. This waste could be utilized to extract polyphenols to process various functional foods and nutraceuticals. An investigation was executed to extract polyphenols from banana peel using the sonication and maceration techniques. Three different polar solvents, methanol, ethanol and acetone, were used at four different concentrations: 25%, 50%, 75% and 100%. Yield (%), Total Polyphenolic Content (TPC), Total Flavonoid Content (TFC) and 1,1-diphenyl-2-picryl-hydrazyl (DPPH) Radical Scavenging assays were performed. The results from the current study articulate that extraction by sonication yields a higher quantity of polyphenols than the maceration technique. The study also concludes that ethanol leads to better extraction than other solvents used in this study. [ABSTRACT FROM AUTHOR]

Data-independent acquisition (DIA) based strategies have been explored in recent years for improving quantitative analysis of metabolites. However, the data analysis is challenging for DIA methods as the resulting spectra are highly multiplexed. Thus, the DIA mode requires advanced software analysis to facilitate the data deconvolution process. We proposed a pipeline for quantitative profiling of pharmaceutical drugs and serum metabolites in DIA mode after comparing the results obtained from full-scan, Data-dependent acquisition (DDA) and DIA modes. using open-access software. Pharmaceutical drugs (10) were pooled in healthy human serum and analysed by LC-ESI-QTOF-MS. MS1 full-scan and Data-dependent (MS2) results were used for identification using MS-DIAL software while deconvolution of MS1/MS2 spectra in DIA mode was achieved by using Skyline software. The results of acquisition methods for quantitative analysis validated the remarkable analytical performance of the constructed workflow, proving it to be a sensitive and reproducible pipeline for biological complex fluids. [ABSTRACT FROM AUTHOR]

The number of deaths has been increased due to COVID-19 infections and uncertain neurological complications associated with the central nervous system. Post-infections and neurological manifestations in neuronal tissues caused by COVID-19 are still unknown and there is a need to explore how brainstorming promoted congenital impairment, dementia, and Alzheimer's disease. SARS-CoV-2 neuro-invasion studies in vivo are still rare, despite the fact that other beta-coronaviruses have shown similar properties. Neural (olfactory or vagal) and hematogenous (crossing the blood–brain barrier) pathways have been hypothesized in light of new evidence showing the existence of SARS-CoV-2 host cell entry receptors into the specific components of human nerve and vascular tissue. Spike proteins are the primary key and structural component of the COVID-19 that promotes the infection into brain cells. Neurological manifestations and serious neurodegeneration occur through the binding of spike proteins to ACE2 receptor. The emerging evidence reported that, due to the high rate in the immediate wake of viral infection, the olfactory bulb, thalamus, and brain stem are intensely infected through a trans-synaptic transfer of the virus. It also instructs the release of chemokines, cytokines, and inflammatory signals immensely to the blood–brain barrier and infects the astrocytes, which causes neuroinflammation and neuron death; and this induction of excessive inflammation and immune response developed in more neurodegeneration complications. The present review revealed the pathophysiological effects, molecular, and cellular mechanisms of possible entry routes into the brain, pathogenicity of autoantibodies and emerging immunotherapies against COVID-19. [ABSTRACT FROM AUTHOR]

Cancer is by far the most common cause of death worldwide. There are more than 200 types of cancer known hitherto depending upon the origin and type. Early diagnosis of cancer provides better disease prognosis and the best chance for a cure. This fact prompts world-leading scientists and clinicians to develop techniques for the early detection of cancer. Thus, less morbidity and lower mortality rates are envisioned. The latest advancements in the diagnosis of cancer utilizing nanotechnology have manifested encouraging results. Cancerous cells are well known for their substantial amounts of hydrogen peroxide (H2O2). The common methods for the detection of H2O2 include colorimetry, titration, chromatography, spectrophotometry, fluorimetry, and chemiluminescence. These methods commonly lack selectivity, sensitivity, and reproducibility and have prolonged analytical time. New biosensors are reported to circumvent these obstacles. The production of detectable amounts of H2O2 by cancerous cells has promoted the use of bio- and electrochemical sensors because of their high sensitivity, selectivity, robustness, and miniaturized point-of-care cancer diagnostics. Thus, this review will emphasize the principles, analytical parameters, advantages, and disadvantages of the latest electrochemical biosensors in the detection of H2O2. It will provide a summary of the latest technological advancements of biosensors based on potentiometric, impedimetric, amperometric, and voltammetric H2O2 detection. Moreover, it will critically describe the classification of biosensors based on the material, nature, conjugation, and carbon-nanocomposite electrodes for rapid and effective detection of H2O2, which can be useful in the early detection of cancerous cells. [ABSTRACT FROM AUTHOR]

The rapidly growing global burden of cancer poses a major challenge to public health and demands a robust approach to access promising anticancer therapeutics. In parallel, nanotechnology approaches with various pharmacological properties offer efficacious clinical outcomes. The use of new artificial variants of nanosponges (NS) as a transporter of chemotherapeutic drugs to target cells has emerged as a very promising tool. Therefore, in this research, ethylcellulose (EC) NS were prepared using the ultrasonication assisted-emulsion solvent evaporation technique. Withaferin-A (WFA), an active ingredient in Withania somnifera, has been implanted into the nanospongic framework with enhanced anticancer properties. Inside the polymeric structure, WFA was efficiently entrapped (85 ± 11%). The drug (WFA) was found to be stable within polymeric nanosponges, as demonstrated by Fourier transform infrared (FTIR) spectroscopy and differential scanning calorimetry (DSC) studies. The WFA-NS had a diameter of 117 ± 4 nm and zeta potential of −39.02 ± 5.71 mV with a polydispersity index (PDI) of 0.419 ± 0.073. In addition, scanning electron microscopy (SEM) revealed the porous surface texture of WFA-NS. In vitro anticancer activity (SRB assay) results showed that WFA–NS exhibited almost twice the anticancer efficacy against MCF-7 cells (IC50 = 1.57 ± 0.091 µM), as quantified by flow cytometry and comet tests. Moreover, fluorescence microscopy with DAPI staining and analysis of DNA fragmentation revealed apoptosis as a mechanism of cancer cell death. The anticancer activity of WFA-NS was further determined in vivo and results were compared to cisplatin. The anticancer activity of WFA-NS was further investigated in vivo, and the data were consistent to those obtained with cisplatin. At Day 10, WFA-NS (10 mg/kg) significantly reduced tumour volume to 72 ± 6%, which was comparable to cisplatin (10 mg/kg), which reduced tumour volume to 78 ± 8%. Finally, the outcomes of molecular modeling (in silico) also suggested that WFA established a stable connection with nanosponges, generating persistent hydrophobic contacts (polar and nonpolar) and helping with the attractive delayed-release features of the formulation. Collectively, all the findings support the use of WFA in nanosponges as a prototype for cancer treatment, and opened up new avenues for increasing the efficacy of natural product-derived medications. [ABSTRACT FROM AUTHOR]

Angiotensin converting enzyme (ACE) plays a crucial role in regulating blood pressure in the human body. Identification of potential ACE inhibitors from medicinal plants supported the idea of repurposing these medicinal plants against hypertension. A method based on ultra-performance liquid chromatography (UPLC) coupled with a diode array detector (DAD) was used for the rapid screening of plant extracts and purified compounds to determine their ACE inhibitory activity. Hippuryl-histidiyl-leucine (HHL) was used as a substrate, which is converted into hippuric acid (HA) by the action of ACE. A calibration curve of the substrate HHL was developed with the linear regression 0.999. The limits of detection and quantification of this method were found to be 0.134 and 0.4061 mM, respectively. Different parameters of ACE inhibitory assay were optimized, including concentration, incubation time and temperature. The ACE inhibition potential of Adhatoda vasica (methanolic-aqueous extract) and its isolated pyrroquinazoline alkaloids, vasicinol (1), vasicine (2) and vasicinone (3) was evaluated. Compounds 1–3 were characterized by various spectroscopic techniques. The IC50 values of vasicinol (1), vasicine (2) and vasicinone (3) were found to be 6.45, 2.60 and 13.49 mM, respectively. Molecular docking studies of compounds 1–3 were also performed. Among these compounds, vasicinol (1) binds as effectively as captopril, a standard drug of ACE inhibition. [ABSTRACT FROM AUTHOR]

In the current research study, iron-zinc co-doped TiO2 was reported as an energy efficient material for the degradation of DIPA and inactivation of E. coli and S. aureus under visible light irradiation. In addition, molecular docking simulation was performed to provide further insight into possible targets for inhibiting bacterial development. The synthesized nanocomposites were screened and optimized for different synthesis and reaction parameters. The physicochemical properties of the synthesized nanocomposites were evaluated through different characterization techniques. The wet impregnation (WI) approach was among the most successful methods for the synthesis of Fe-Zn-TiO2 nanocomposite (NC) utilizing anatase titanium. Moreover, 66.5% (60 min reaction time) and 100% (190 min reaction time) chemical oxygen demand (COD) removal was obtained through optimized NC, i.e., 0.1Fe-0.4Zn metal composition and 300 °C calcination temperature. The energy consumption for the best NC was 457.40 KW h m−3. Moreover, 0.1Fe-0.4Zn-TiO2-300 was more efficient against S. aureus compared to E. coli with 100% reduction in 90 min of visible light irradiations. Furthermore, 0.1Fe-0.4Zn-TiO2-300 NC showed that the binding score for best docked conformation was −5.72 kcal mol−1 against β-lactamase from E. coli and −3.46 kcal mol−1 from S. aureus. The studies suggested the Fe-Zn in combination with TiO2 to be a possible inhibitor of β-lactamase that can be further tested in enzyme inhibition studies. [ABSTRACT FROM AUTHOR]

The presence of potentially toxic metals in water causes a strong impact on environment and human health. In this study, activated biochar was produced by using chemical oxidation method from wheat straw as natural adsorbent and was employed for heavy metals competitive remediation. The morphology, structure, and chemical properties of biochar before and after adsorption were characterized by FTIR, XRD, SEM and EDX mapping techniques. The competitive adsorption efficiency of adsorbent for divalent cadmium (Cd) and lead (Pb) from contaminated water was investigated by using wide range of several initial metal concentration, contact time and pH. Maximum adsorption of Cd(II) and Pb(II) was found in the pH range of 6–8. The adsorption capacity for Cd(II) and Pb(II) was 8.85 and 9.03 mg/g, respectively. Thermodynamics parameters and kinetic models were applied to adsorption data. The isotherm data followed Langmuir model, corresponding to monolayer adsorption of the two ions in the contaminated water. The kinetic data followed the pseudo 2nd order kinetics model, which authenticates the chemisorption nature. The thermodynamic study indicated that Cd adsorption is a spontaneous exothermic process while Pb adsorption is an endothermic process. Mineral precipitation, surface complexation, and cation-π interactions are the major remediation strategies for Cd(II) and Pb(II). [ABSTRACT FROM AUTHOR]