M-Polynomials and Degree-Based Topological Indices of the Molecule Copper(I) OxideRead the full article
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Synthesis, Molecular Docking, MEP and SAR Analysis, ADME-Tox Predictions, and Antimicrobial Evaluation of Novel Mono- and Tetra-Alkylated Pyrazole and Triazole Ligands
Newly synthesized compounds of N-alkylated heterocyclic compounds were prepared by condensation of amine with alcohol which undergoes a reaction of SN2. These newly synthesized derivatives were characterized by spectral analysis. The objective is to prepare new potent nontoxic antimicrobial agents which are easy to synthesize and could be scaled up in pharmaceutical industries. Thirteen new heterocyclic compounds containing a pyrazole moiety were synthesized with good yields (29.79 to 99.6%) and were characterized by FTIR, 1H NMR, 13C NMR, and CG-MS techniques. The compounds were divided into two series—monoalkylated compounds (1–11) and tetra-alkylated compounds (12 and 13)—and then evaluated for their in vitro antifungal and antibacterial activities against several fungal and bacterial strains. None of the monoalkylated compounds had antibacterial or antifungal activity. However, the two tetra-alkylated pyrazole ligands displayed strong antibacterial potential. Moreover, compound 12 was more potent against all tested bacterial strains than compound 13. Interestingly, compounds 12 and 13 acted as weak antifungal agents against Saccharomyces cerevisiae. ADME-Tox studies suggested that compounds 12 and 13 exhibit better toxicity profiles than the commercial antibiotic streptomycin. MEP studies suggested that compounds 12 and 13 have the same charge locations but differ in their values which are due to the condensed geometry of compound 13 that make it more polarizable than compound 12. Of particular interest, these different MEPs were evident in ligand protein docking, suggesting that compound 12 has better affinity with MGL enzyme than compound 13. All these findings suggested that these novel compounds represent promising antibacterial lead compounds.
Assessment and Determination of Bittering Agents, Essential Oils, and Antioxidants of Gesho (Rhamnus prinoides L. Herit) Collected from Amhara Region, Ethiopia
Rhamnus prinoides (Gesho) is an angiosperm dioecious plant, which is used for cash income, as a bittering agent for the preparation of the local alcoholic beverage and medicinal values. Although it has intense use, still its practical application is limited for local alcoholic beverage preparation, and there is no sufficient scientific report on the level and quantity of bittering agents, essential oils, and antioxidants of this plant. Therefore, the objective of this research was to assess and determine the bittering agents, essential oils, and antioxidants of R. prinoides. The leaves of R. prinoides were collected from eleven different sample sites and allowed to sun dry and then powdered. It was further dried in an oven at 60°C for 1 h, and then, total resin, essential oils, alpha acid, iso-alpha acid, beta acid, flavonoids, and polyphenols of R. prinoides were determined. All the data were analyzed using SPSS version 20.0. Based on this study finding, (16.03 ± 0.03–17.05 ± 0.04%) total resins, (10.00 ± 0.08–11.23 ± 0.07%) soft resins, (5.65 ± 0.11–6.40 ± 0.35%) hard resins, (1.82 ± 0.11–3.14 ± 0.02 mg/l) alpha acids, (2.26 ± 0.15–4.15 ± 0.10 mg/l) iso-alpha acids, (2.62 ± 0.04–4.29 ± 0.08 mg/l) beta acids, (7.74 ± 0.11–12.47 ± 0.13%) essential oils, (23.00 ± 0.14–25.01 ± 0.09%) flavonoids, and (2.11 ± 0.01–2.41 ± 0.02%) polyphenols were obtained in the leaves of R. prinoides. R. prinoides leaves taken from Tikledingay has shown statistically () significant amount of soft resin (11.23 ± 0.07%), alpha acid (3.14 ± 0.02 mg/l), iso-alpha acid (4.15 ± 0.10 mg/l), essential oils (12.47 ± 0.13%), flavonoids (25.01 ± 0.09%), and polyphenols (2.41 ± 0.02%) in comparison with other samples. Generally, R. prinoides is a good source of bittering agents, essential oils, and antioxidants. However, the quantity of bittering agents, essential oils, and antioxidants in the leaves of R. prinoides was varied with sample collection sites. So R. prinoides can be used as a substitute for commercial hops used in the breweries, and promotion should be done to introduce the potential of Gesho as a bittering agent, source of aroma and flavor, and also antioxidant for beer and other alcoholic beverages.
Migration and Transformation of Heavy Metals in the Soil of the Water-Level Fluctuation Zone in the Three Gorges Reservoir under Simulated Nitrogen Deposition
The accumulation of heavy metals (HMs) in the water-level fluctuation zone (WLFZ) of the Three Gorges Reservoir (TGR) area is potentially harmful to the water environment. In order to reveal whether nitrogen (N) deposition is a potential driving factor for the migration and transformation of HMs (Cd, Cr, Cu, Ni, and Pb), a simulated N deposition experiment was performed on the soil in the WFLZ of the TGR. The results showed that the accumulative release amounts of HMs increased with the increase of N deposition. It was found that the Elovich equation, double-constant equation, and parabolic diffusion equation could well describe the release process of Cu, Cd, Cr, and Ni, while the double-constant equation, parabolic diffusion equation, and first-order equation could be applicable for Pb. The exchangeable fractions of HMs increased to varying degrees after the N deposition treatment, wherein Ni was most significant, indicating that N deposition could increase the ecological risk of HM pollution in the TGR area. The results provide insight into the major factors affecting the release of different HMs under N deposition in this vulnerable region ecologically.
Preparation and Effect of Selenium Nanoparticles/Oligochitosan on the White Blood Cell Recovery of Mice Exposed to Gamma-Ray Radiation
Owing to their excellent bioavailability, high bioactivity, and low toxicity, selenium nanoparticles (SeNPs) are emerging nanomaterials. In this study, SeNPs with a size of ∼41.8 nm were synthesised by γ-irradiation using oligochitosan (OCS) as the stabiliser. As-synthesized SeNPs/OCS were characterised by UV-Vis spectroscopy, transmission electron microscopy, and energy-dispersive X-ray (EDX) analysis. Results revealed that the as-obtained SeNP/OCS powder exhibits high purity. The SeNP/OCS solution’s stability test results indicated that the SeNP/OCS solution stored at 4°C exhibits good stability for 60 days. The SeNP/OCS solution was unstable at ambient temperature, and SeNP/OCS exhibited agglomeration after about 15 days. SeNP/OCS products recovered the total white blood cells of γ-ray irradiated mice. The SeNP/OCS product, which was synthesised by a green approach, with high purity and efficient recuperation of white blood cells, can be used potentially as a functional supplement to assist cancer radiotherapy patients.
New Purinyl-Steroid and Other Constituents from the Marine Fungus Penicillium brefeldianum ABC190807: Larvicidal Activities against Aedes aegypti
Mosquitoes historically threatened human health; the major mosquito-related global health issues include malaria, dengue fever, yellow fever, and Zika, as well as several other vector-borne outbreaks. Here, the EtOAc extract of the mangrove sediment fungus Penicillium brefeldianum ABC190807 exerted larvicidal activities against the third instar larvae of Aedes aegypti with an LC50 of 0.089 mg/mL. One new purinyl-steroid (ergosta-4,6,8(14),22-tetraen-3-(6-amino-9H-purin-9-yl) (1)), along with six (2–7) known compounds, were isolated from the EtOAc extract of Penicillium brefeldianum ABC190807. Structures of the compounds were elucidated via 1D/2D NMR and HR-ESI-MS data. Respective spectral data were compared with those of known compounds. Among all compounds whose larvicidal activity against the third instar larvae of Aedes aegypti was evaluated, compounds 2 and 7 showed larvicidal activity with respective LC50 values of 0.452 and 0.337 mg/mL.
Nanoparticle Beads of Chitosan-Ethylene Glycol Diglycidyl Ether/Fe for the Removal of Aldrin
This article reports on the preparation of iron nanoparticles (FeNPs) supported in chitosan beads (Chi-EDGE-Fe) for removing aldrin from aqueous solutions. The FeNPs and Chi-EDGE-Fe beads were characterized by means of scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), Fourier transform infrared (FTIR), and the Mössbauer spectroscopy (MS) techniques. TEM, XRD, and MS showed that the FeNPs had core-shell structures consisting of a core of either Fe0 or Fe2B and a shell of magnetite. Furthermore, SEM images showed that Chi-EDGE-Fe beads were spherical with irregular surfaces and certain degrees of roughness and porosity, whilst the sorbent mean pore size was 204 nm, and the occluded iron nanoparticles in the chitosan material had diameters of 70 nm and formed agglomerates. The sorbent beads consisted of carbon, oxygen, chlorine, aluminum, silicon, and iron according to the SEM-EDS analysis. Functional groups such as O-H, C-H, -CH2, N-H, C-O, C-OH, and Fe-OH were detected in the FTIR spectra. In addition, a characteristic band appeared at about 1700 cm−1 after the sorption process involving aldrin. MS also showed that the iron nanoparticles in the beads probably oxidized into NPs of α-Fe2O3 as a result of the supporting process. The isotherm of the aldrin removal followed the Langmuir–Freundlich model and presented a maximum adsorption capacity of 74.84 mg/g, demonstrating that chitosan-Fe beads are promising sorbents for the removal of toxic pollutants in aqueous solutions.