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•Novel quinolines were synthesized via direct amination approach using Ta2O5-functionalized-PPCA nanocatalyst.•Cytotoxic activity was assessed against the panel of human cell ...lines.•Compounds 5c and 5d showed good selectivity against EGFR-TK.•The active compounds were subjected to molecular docking studies.•Molecular docking and ADME predictions of active compounds shown as promising lead-like characters.
A Ta2O5-anchored-piperidine-4-carboxylic acid (PPCA) nanoparticle has been synthesized and characterized. It was then used as a highly effective nanocatalyst for the synthesis of quinolin-2(1H)-one derivatives through CO bond functionalization. The special advantage of this heterogeneous solid catalyst is the reusability of the catalyst for up to five cycles without any noticeable reduction in product yields. In comparison, healthy reaction profiles, wide substrate scope, excellent yields and easy workup conditions are the notable highlights of this approach. All the compounds were tested for their anticancer activity against MCF-7 (human breast), HepG2 (human liver), HCT116 (human colorectal), and PC-3 (human prostate) cancer cell lines with the MTT assay. All the compounds were shown to have moderate to good inhibitory effects on tested cancer cell lines. Besides, compounds 5b, 5c and 5d showed good selectivity against epidermal growth factor receptor-tyrosine kinase (EGFR-TK). Molecular docking results showed that active compounds showed a good affinity towards EGFR kinase (PDB ID: 6V6O) by forming two hydrogen bonds with Cys-797 and Tyr-801. All the compounds were screened for computational ADMET and Lipinski analysis.
Obesity is characterized by an accumulation of macrophages in adipose, some of which form distinct crown-like structures (CLS) around fat cells. While multiple discrete adipose tissue macrophage ...(ATM) subsets are thought to exist, their respective effects on adipose tissue, and the transcriptional mechanisms that underlie the functional differences between ATM subsets, are not well understood. We report that obese fat tissue of mice and humans contain multiple distinct populations of ATMs with unique tissue distributions, transcriptomes, chromatin landscapes, and functions. Mouse Ly6c ATMs reside outside of CLS and are adipogenic, while CD9 ATMs reside within CLS, are lipid-laden, and are proinflammatory. Adoptive transfer of Ly6c ATMs into lean mice activates gene programs typical of normal adipocyte physiology. By contrast, adoptive transfer of CD9 ATMs drives gene expression that is characteristic of obesity. Importantly, human adipose tissue contains similar ATM populations, including lipid-laden CD9 ATMs that increase with body mass. These results provide a higher resolution of the cellular and functional heterogeneity within ATMs and provide a framework within which to develop new immune-directed therapies for the treatment of obesity and related sequela.
The aim of this investigation was to examine the influence of temperature on testicular activity in the continuously breeding fish
Oreochromis mossambicus.
The fish were subjected to natural ...temperature (controls; 21.95 ± 0.21 °C), and low water temperature (LT; 18.18 ± 0.17 °C) or high water temperature (HT; 34.66 ± 0.31 °C) for an experimental period of 21 days, following which they were euthanized and the testes examined. The mean number of spermatogonia was significantly higher in fish exposed to the HT treatment than in the controls and fish exposed to the LT treatment. However, a significant reduction in the mean number of primary spermatocytes, secondary spermatocytes, early spermatids and late spermatids was observed in fish subjected to the LT and HT treatments compared to the controls. In addition, the mean serum testosterone levels were significantly decreased in fish exposed to the LT and HT, whereas the serum cortisol levels were significantly higher in these fish groups compared with the control fish. Taken together, these results suggest that exposure of fish to LT or HT activates the neuroendocrine axis that regulates the stress respone, leading to the inhibition of the process of spermatogenesis, possibly through the suppression of testicular steroidogenesis in
O. mossambicus.
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•Novel imidazole/benzimidazole-ethionamide conjugates was synthesized and characterized.•Two compounds showed more potent than standard isoniazid.•InhA appeared as an important target ...enzyme of the compounds.•Top hit like compounds exhibit strong binding interactions with target InhA protein.•In silico studies supported InhA inhibition assay.
To explore effective antituberculosis agents, a new class of imidazoles and benzimidazoles linked ethionamide analogs were designed and synthesized. The elemental analysis, 1H NMR, 13C NMR and mass spectral data were used to characterize all of the novel analogs. In vitro activity against Mycobacterium tuberculosis (Mtb) H37Rv was assessed for all of the target compounds. The hydroxy and nitrile moieties on the imidazole ring, as well as the hydroxy and methoxy groups on the benzimidazole ring connected to the ethionamide side chain, were shown to be advantageous. In our cell viability experiment against the Vero cell line, all of the compounds were non-cytotoxic even at 100 μM. To confirm the powerful analogs target identification, we investigated their in vitro inhibitory action on an M. tuberculosis InhA over-expressing (Mtb InhA-OE) strain, which yielded MICs nearly twice those of the Mtb H37Rv strain. Furthermore, the results of molecular docking confirmed the experimental findings. Additionally, the molecules were evaluated in silico for ADMET and drug similarity features. The experimental observation enables the newly generated ethionamide derivatives to be attractive candidates for the creation of newer and better anti-TB agents.
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•A series of 1,2,3-triazole based imidazole derivatives were synthesized using Click reaction.•These compounds showed good anti-tuberculosis activity against Mtb H37Rv.•Molecular ...docking studies figured out the binding interaction of synthesized compounds.•ADME properties of synthesized compounds have been predicted.•The interaction between HSA and active compounds was studied by spectroscopic techniquies.
Using Cu(I)-catalyzed cycloaddition of alkyne and azide reaction (CuAAC), a series of novel 1,2,3-triazole based imidazole derivatives (3a-e) have been synthesized. The synthesized molecules were characterized by spectroscopic techniques such as 1H NMR, 13C NMR, mass and elemental analysis. Antitubercular activity (anti-TB) against Mycobacterium tuberculosis H37Rv (Mtb) and cytotoxic activity against the mammalian Vero cell line was screened for the synthesized compounds. The compounds 3d and 3e displayed potent in vitro antitubercular activity and may serve as a lead for further optimization. Besides, the experimental findings were in line with the results of molecular docking. Also, the synthesized compounds have also been analyzed for ADME properties and the experimental finding facilitates the development of new and more potent anti-TB agents in this series in the future. Using fluorescence and UV–vis absorption spectroscopy, the binding interaction of compounds (3d and 3e) with human serum albumin (HSA) was investigated. The results showed that, as a result of HSA-compound complex, the fluorescence quenching of HSA by test compounds was a static quenching process. According to Forster's theory, energy transfer efficiency is calculated.
At present energy and environmental remediation are of highest priority for the well defined sustainability. Multifunctional materials that solve both the issues are on high demand. In the present ...work, a simple method has been followed to extract carbon spheres fromTamarindus indica(commonly known astamarind fruit) shelland doped with nitrogen (N-CS). Vanadium pentoxide nanoflakes were decorated aroundN-CS and the resultant is labeled as V2O5/N-CS nanocomposite. The spectroscopic, microscopic, elemental mapping and x-ray photoelectron spectroscopic characterization confirm the nitrogen doping and formation of hybrid material. N-CS, V2O5, and V2O5/N-CS nanocompositehave been evaluated for their efficiency to evolve hydrogen and for degradation of Bisphenol A (BPA) under visible light. In addition, electrocatalytic hydrogen evolution in presence of light has also been evaluated. The DRS spectrum proves the decrease in the bandgap of V2O5 upon its decoration around N-CS material. In a photochemical experiment, the V2O5/N-CS nanocomposite evolved 18,600 μmolg−1 of H2.Electrochemical hydrogen evolution has also been evaluated in presence of light and obtained the onset potential of −60mV with 52 mV dec−1 Tafel slope value. Scavenger studies indicate superoxide radicals and hydroxyl radicals are the active species responsible for the degradation of BPA. BPA degradation pathway has been predicted with the support of LC-MS results of the intermediates. All these results indicate the synthesized nanocomposite could be an efficient, stable multifunctional material for photocatalytic applications.
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•Carbon spheres synthesis from Tamarindus indica waste shell doped with N.•Decoration of V2O5 nanoflakes around N-CS.•Bandgap reduction in V2O5/N-CS nanocomposite (1.95 eV).•95% degradation of BPA under optimized condition.•Discussed the degradation pathway of BPA with the support LC-MS results.
We present the result of an experiment to measure the electric dipole moment (EDM) of the neutron at the Paul Scherrer Institute using Ramsey's method of separated oscillating magnetic fields with ...ultracold neutrons. Our measurement stands in the long history of EDM experiments probing physics violating time-reversal invariance. The salient features of this experiment were the use of a ^{199}Hg comagnetometer and an array of optically pumped cesium vapor magnetometers to cancel and correct for magnetic-field changes. The statistical analysis was performed on blinded datasets by two separate groups, while the estimation of systematic effects profited from an unprecedented knowledge of the magnetic field. The measured value of the neutron EDM is d_{n}=(0.0±1.1_{stat}±0.2_{sys})×10^{-26} e.cm.
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•A novel series of pyrimidine linked thiazolidinedione derivatives were synthesized.•All the compounds were evaluated for their in vitro antimicrobial and anti-TB activity.•Compound ...5g, 5i and 5j showed the most potent antimicrobial and anti-TB activity.•All the compounds were found non-toxic at 50 μM against normal WI-38 cell line.•The biological screening results were supported by the molecular docking studies.
The design and development of novel antimicrobial agents are highly desired to combat the emergence of medication resistance against microorganisms that cause infections. A series of new pyrimidine-linked thiazolidinedione derivatives (5a-j) were synthesized, characterized, and their antimicrobial properties assessed in the current investigation. Here, novel pyrimidine-linked thiazolidinedione compounds were designed using the molecular hybridization approach. Elemental and spectral techniques were used to determine the structures of the synthesized hybrids. The majority of compounds showed encouraging antibacterial properties. Among the active compounds, 5g, 5i, and 5j showed 1.85, 1.15, and 1.38 times the activity of streptomycin against S. aureus, respectively, with MIC values of 6.4, 10.3, and 8.6 µM. With MIC values of 10.8, 21.9, and 15.4 µM, respectively, the compounds 5g, 5i, and 5j showed 2.14, 1.05, and 1.50 times the activity of linezolid against the methicillin-resistant S. aureus (MRSA) strain. Furthermore, when compared to the reference medications, compounds 5g, 5i, and 5j demonstrated broad-range antimicrobial efficacy against all tested strains of bacteria and fungus. Out of all the compounds that were investigated, compounds 5g, 5i, and 5j showed noteworthy anti-tubercular activity. 5g is the most effective, 1.59 times more effective than reference drug isoniazid. To anticipate the binding manner, the synthesized potent compounds were subjected to molecular docking into the active binding site of MRSA and the mycobacterial membrane protein large 3 (MmpL3) protein. The compounds 5g, 5i, and 5j may eventually serve as lead compounds in the search for antimicrobial and anti-TB therapeutic agents.
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Generating carbonaceous materials from agricultural waste is a sustainable and environmentally friendly method of producing activated carbon. In the current work, carbon is extracted ...using a tubular furnace from the shell of the wood apple (Limonia acidissima) V2O5 (C/VO) and synthesized carbon were combined to form a nanocomposite. The formation of nanocomposite is confirmed by X-ray diffraction (XRD) investigations, X-ray photoelectron spectroscopy (XPS), and other morphological characterizations. Modification of glassy carbon electrode (GCE) was done using synthesized materials (C@GCE, VO@GCE, and C/VO@GCE). The enzyme-free detection of carbofuran (CBF) in 0.1 M phosphate buffer was carried out using fabricated electrodes. Among the various electrode systems, C/VO@GCE demonstrated enhanced electrochemical performance for CBF detection using both cyclic voltammetry (CV) and differential pulse voltammetry (DPV) methods. V/C@GCE demonstrated its capacity to identify CBF within a 0.05–750 μM range, with a limit of detection (LOD) of 0.06 μM. Using DPV, the effect of several pesticides on CBF detection in the presence of C/V@GCE was assessed, and good anti-interfering properties were discovered. When the DPV approach was used to detect CBF in potatoes, the recovery rate ranged from 98.0 to 99.0 %. According to a stability study, C/V@GCE has an 80.8 % retention capacity and can detect CBF for up to 24 days. The promise of the constructed electrode towards sensor applications is indicated by the large linear range, low LOD, selectivity, and stability of C/V@GCE.
The present work describes the synthesis of covalent composite of graphene with Fe3O4, through the formation of amide bond between chloride functionalized graphene oxide (GO) and amine containing ...Fe3O4. The synthesized chemically bonded graphene oxide- Fe3O4 (GO-Fe3O4) nanocomposite was used as an adsorbent for the removal of malachite green oxalate (MGO) and Eriochrome black T (EBT) in wastewater. The structure, morphology and magnetic properties of prepared nano composite was characterized by X Ray Diffraction (XRD), Fourier transform infrared spectroscopy (FTIR),Transmission Electron Microscope (TEM) and Vibrating Sample Magnetometer (VSM). The effect of the experimental conditions on the adsorption behavior has been investigated by varying the initial concentration, contact time,pH and temperature. The nanocomposite showed a good performance for the adsorption of MGO and EBT from aqueous solution with an adsorption capacity of 179.15 and 160.08mgg−1 respectively. The Langmuir and Freundlich equations were used to examine the experimental isotherm data. Further it properly fitted with pseudo-second-order kinetic model.The results of this study demonstrate that GO-Fe3O4 can be used as a potential alternative adsorbent for the proficient removal of dyes from aqueous solution. The GO-Fe3O4nanocomposite has been tested against Gram-positive and Gram-negative bacterial strains including Staphylococcus aureus, Bacillus subtilis, Pseudomonas aerugino and Salmonella typhimuriumupon which it showed promising antimicrobial activities, thus emphasizing the fact that it can be used for dual purpose in waste water management.
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