Antiviral activity of sulphated specialized metabolites from sea urchin Clypeaster humilis: in vitro and in silico studies.

Chemical investigations of the sea urchin Clypeaster humilis has led to separation of twelve compounds including one new sulfonic acid derivative (7R) tridec-1-en-7-yl hydrogen sulphate (1), first isolated from natural source, pyridine-3-yl methane sulfonate (2), and first isolated from marine organisms, boldine (12), in addition to nine known compounds (3-11), which were isolated for the first time from the genus Clypeaster. Their structures were elucidated based on spectroscopic analyses (1D and 2D NMR), HR-ESI-MS as well as comparison with the previously reported data. The antiviral activity of the crude extract and sulphated compounds were evaluated using MTT colorimetric assay against Coxsackie B4 virus. The crude extract and compound 1 showed very potent antiviral activity with a percentage of inhibition equal to 89.7 ± 0.53% and 86.1 ± 0.92%, respectively. Results of the molecular docking analysis of the isolated compounds within Coxsackie Virus B4 (COX-B4) X-ray crystal structure and quantum chemical calculation for three sulphated compounds are in a consistent adaptation with the in vitro antiviral results. The pharmacokinetic properties (ADME) of isolated compounds were determined.

Olive leaf extract-derived chitosan-metal nanocomposite: Green synthesis and dual antimicrobial-anticancer action.

In this study, we developed a novel nanocomposite by synthesizing zinc (ZnNPs), copper (CuNPs), and silver (AgNPs) nanoparticles using olive leaf extract and incorporating them into a chitosan polymer. This approach combines the biocompatibility of chitosan with the antimicrobial and anticancer properties of metal nanoparticles, enhanced by the phytochemical richness of olive leaf extract. The significance of our research lies in its potential to offer a biodegradable and stable alternative to conventional antibiotics and cancer treatments, particularly in combating multidrug-resistant bacteria and various cancer types. Comprehensive characterization through Fourier Transform Infrared Spectroscopy (FTIR), X-Ray Diffraction (XRD), Thermogravimetric Analysis (TGA), Scanning Electron Microscopy (SEM), Energy Dispersive X-ray (EDX), and Transmission Electron Microscopy (TEM) confirmed the successful synthesis of the nanocomposites, with an average size of ~22.6 nm. Phytochemical analysis highlighted the antioxidant-rich composition of both the olive leaf extract and the nanoparticles themselves. Functionally, the synthesized nanoparticles exhibited potent antimicrobial activity against multidrug-resistant bacterial strains, outperforming traditional antibiotics by inhibiting key resistance genes (ermC, tetX3-q, blaZ, and Ery-msrA). In anticancer assessments, the nanoparticles showed selective cytotoxicity towards cancer cells in a concentration-dependent manner, with CuNPs and AgNPs showing particularly strong anticancer effects, while demonstrating minimal toxicity towards normal cells. ZnNPs were noted for their low cytotoxicity, highlighting the safety profile of these nanoparticles. Further, the nanoparticles induced apoptosis in cancer cells, as evidenced by the modulation of oncogenes (P21, P53, and BCL2), suggesting their therapeutic potential. The findings of our study underscore the versatile applications of these biogenic nanoparticles in developing safer and more effective antimicrobial and anticancer therapies.

Correction to "Nanotechnology Impact on Chemical-Enhanced Oil Recovery: A Review and Bibliometric Analysis of Recent Developments".

[This corrects the article DOI: 10.1021/acsomega.3c06206.].

Efficient Protocol for Novel Hybrid Pyrimidines Synthesis: Antiproliferative Activity, DFT Analyses, and Molecular Docking Studies.

An efficient, microwave/ultrasound-irradiated synthesis of novel chromenopyrimidines has been established. 2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (1) underwent cyclization reactions with various assorted reagents under sustainable conditions to afford a family of fused pyrimidine derivatives. The proposed structures of the designed fused pyrimidines were confirmed by several spectral techniques. Moreover, the targeted pyrimidines were estimated for their in vitro cytotoxic activities toward three carcinoma cell lines: breast (MCF7), hepatocyte (HepG2), and lung (A549) cancer cell lines, as well as one noncancerous cell line (MCF-10A). Structure-activity relationship (SAR) analyses revealed that derivatives 3 and 7 exhibited the highest potency in inhibiting the growth of cancer cells tested in vitro. Particularly, 3-amino-4-imino-5-(thiophen-2-yl)-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one (3) displayed a robust impact with IC50 values ranging from 2.02 to 1.61 µM. Interestingly, compound 3 was observed to have low cytotoxicity toward noncancerous cell (MCF-10A) compared to the standard drug (Doxorubicin). Further, quantum chemical computations of the designed molecules utilizing density functional theory (DFT) were conducted and shown to be compatible with the observed antiproliferative properties. Thorough docking investigations revealed that the assembled compounds possess exceptionally low binding energies toward our three selected proteins: 4b3z-Lung, HepG2-2JW2, and 6ENV-MCV-7. Based on these intriguing results, compound 3 could be further evaluated for preclinical screening, potentially paving the way for its utilization as a promising cancer treatment.

Nanotechnology Impact on Chemical-Enhanced Oil Recovery: A Review and Bibliometric Analysis of Recent Developments.

Oil and gas are only two industries that could change because of nanotechnology, a rapidly growing field. The chemical-enhanced oil recovery (CEOR) method uses chemicals to accelerate oil flow from reservoirs. New and enhanced CEOR compounds that are more efficient and eco-friendly can be created using nanotechnology. One of the main research areas is creating novel nanomaterials that can transfer EOR chemicals to the reservoir more effectively. It was creating nanoparticles that can be used to change the viscosity and surface tension of reservoir fluids and constructing nanoparticles that can be utilized to improve the efficiency of the EOR compounds that are already in use. The assessment also identifies some difficulties that must be overcome before nanotechnology-based EOR can become widely used in industry. These difficulties include the requirement for creating mass-producible, cost-effective nanomaterials. There is a need to create strategies for supplying nanomaterials to the reservoir without endangering the formation of the reservoir. The requirement is to evaluate the environmental effects of CEOR compounds based on nanotechnology. The advantages of nanotechnology-based EOR are substantial despite the difficulties. Nanotechnology could make oil production more effective, profitable, and less environmentally harmful. An extensive overview of the most current advancements in nanotechnology-based EOR is provided in this paper. It is a useful resource for researchers and business people interested in this area. This review's analysis of current advancements in nanotechnology-based EOR shows that this area is attracting more and more attention. There have been a lot more publications on this subject in recent years, and a lot of research is being done on many facets of nanotechnology-based EOR. The scientometric investigation discovered serious inadequacies in earlier studies on adopting EOR and its potential benefits for a sustainable future. Research partnerships, joint ventures, and cutting-edge technology that consider assessing current changes and advances in oil output can all benefit from the results of our scientometric analysis.

Galangal-Cinnamon Spice Mixture Blocks the Coronavirus Infection Pathway through Inhibition of SARS-CoV-2 MPro, Three HCoV-229E Targets; Quantum-Chemical Calculations Support In Vitro Evaluation.

Natural products such as domestic herbal drugs which are easily accessible and cost-effective can be used as a complementary treatment in mild and moderate COVID-19 cases. This study aimed to detect and describe the efficiency of phenolics detected in the galangal-cinnamon mixture in the inhibition of SARS-CoV-2's different protein targets. The potential antiviral effect of galangal-cinnamon aqueous extract (GCAE) against Low Pathogenic HCoV-229E was assessed using cytopathic effect inhibition assay and the crystal violet method. Low Pathogenic HCoV-229E was used as it is safer for in vitro laboratory experimentation and due to the conformation and the binding pockets similarity between HCoV-229E and SARS-CoV-2 MPro. The GCAE showed a significant antiviral effect against HCoV-229E (IC50 15.083 µg/mL). Twelve phenolic compounds were detected in the extract with ellagic, cinnamic, and gallic acids being the major identified phenolic acids, while rutin was the major identified flavonoid glycoside. Quantum-chemical calculations were made to find molecular properties using the DFT/B3LYP method with 6-311++G(2d,2p) basis set. Quantum-chemical values such as EHOMO, ELUMO, energy gap, ionization potential, chemical hardness, softness, and electronegativity values were calculated and discussed. Phenolic compounds detected by HPLC-DAD-UV in the GCAE were docked into the active site of 3 HCoV-229E targets (PDB IDs. 2ZU2, 6U7G, 7VN9, and 6WTT) to find the potential inhibitors that block the Coronavirus infection pathways from quantum and docking data for these compounds. There are good adaptations between the theoretical and experimental results showing that rutin has the highest activity against Low Pathogenic HCoV-229E in the GCAE extract.

Biogenic-Mediated Synthesis of the Cs2O-MgO/MPC Nanocomposite for Biodiesel Production from Olive Oil.

In this work, a biogenic-mediated approach is successfully used to synthesize a novel heterogeneous Cs2O-MgO/MPC basic nanocomposite. For the first time, the established technicality employs pomegranate seed extract that gives a green capping fuel and reducing mediators during an aqueous solution combustion process of metal ion precursors. The synthesized nanocomposites were identified by X-ray diffraction, Fourier transform infrared, N2 isotherms, field emission scanning electron microscopy, and CO2-TPD analyses. The transesterification process of olive oil was used to evaluate the catalytic performance. The nanocomposite displayed outstanding catalytic efficiency stemming from the boosting of the reactant and product diffusion. The transesterification activity and the optimization design were assessed by applying the response surface methodology. Based on the experimental tests, the finest experimental conditions with a biodiesel yield of 96.1% are 4 h, 4% catalyst amount, an oil/methanol ratio of 1:15, and a temperature of 65 °C. The predicted optimal conditions based on the statistical model are 6 h contact time, 5.2 % catalyst dose, 65 °C reaction temperature, and 1:15 oil/methanol molar ratio, attaining a biodiesel yield of 95.18%. The catalyst reusability has been performed almost continuously up to four cycles, with no loss of the active constituents. The obtained biodiesel demonstrated characteristics close to those of international standards of biodiesel. Besides, the process employed in this study demonstrated significant potential for further development and commercialization and is cheaper than the refined vegetable oil used in traditional approaches of biodiesel manufacturing.