Abstract Since biodiesels are widely considered more environmentally friendly and ecologically sustainable than fuels derived from petroleum – as well as producing greener energy at a lower price – this belief has encouraged the growth of the bio-economy. The primary objective of this work was to investigate the use of a novel non-edible feedstock obtained from date seed oil for the production of environmentally friendly biodiesel. This was achieved via the application of creative and different hydroxyapatite (HAPT) heterogeneous catalysts. These catalysts were obtained from discarded fish bones that were synthesized from dried fish bone and subjected to calcination at different temperatures. This study used several analytical methods, including transmission electron microscopy, Brunauer–Emmett–Teller analysis, X-ray diffraction (XRD), and thermogravimetric analysis, to investigate the properties of a cost-effective and environmentally sustainable catalyst derived from waste fish bones. HAPT is the key component of calcined catalysts, and this was confirmed using XRD analysis. The findings revealed that the transesterification activity was optimal when the catalyst was calcined at 900°C. Moreover, this produced a maximum yield of 89% fatty acid ethyl esters (FAMEs) when optimal reaction conditions were achieved (3-h reaction time, 9:1 ethanol/oil molar ratio, and catalyst amount of 4.5 wt%). Additionally, the catalyst was found to be durable and reusable throughout the biodiesel production process. The confirmation of FAME production was achieved using gas chromatography–mass spectrometry. This approach could facilitate the production of low-cost, environmentally friendly technology. Additionally, it was established that the characteristics of the biodiesel complied with ASTM D6571, an American fuel regulation. Green energy approaches can also be beneficial for the environment, which could ultimately improve societal and economic development for the biodiesel business on a larger scale.

Abstract One-pot synthesis of polymerized methyl imidazole silver bromide (CH3C6H5AgBr)6 Compound 1 was carried out by the reaction of methylimidazole, 1,2-dibromoethane, and Ag2O in tetrahydrofuran at 60°C for 2 h. Compound 1 was characterized by elemental analysis, 1 H nuclear magnetic resonance, and single crystal X-ray diffraction. The crystal cell parameters of Compound 1 are as follows: a = 8.916(4) Å, b = 17.655(9) Å, c = 9.024(4) Å, α = 90°, β = 103.621(7)°, γ = 90°, V = 1380.6(12) Å3, and Z = 4. The silver atoms in Compound 1 are pentacoordinated with three bromine atoms, one silver atom, and one nitrogen atom of methyl imidazole, and polymeric methyl imidazole silver bromide was formed based on this structure. The catalytic effects under optimized conditions were investigated in this study, and the results showed that Compound 1 possesses a strong catalytic effect on the oxidation of 2-methylnaphthalene with a conversion rate of 77.15% by using hydrogen peroxide as the oxidant at 80°C for 3 h. The catalytic mechanism was explored simultaneously.

Abstract To help discover a reasonable and eco-friendly insecticide, we undertook a study on the insecticidal potential of carvacrol and essential oils extracted by hydrodistillation using a Clevenger apparatus from the plant species Nigella sativa seeds essential oils of Nigella sativa (EONS) on Callosobruchus maculatus adults. Several tests including contact toxicity, repellent effect, topical contact test, and inhalation effect were conducted. Adults of C. maculatus have been exposed to the toxic effects of different concentrations of these essential oils as well as with carvacrol. The results obtained showed that both EONS and carvacrol exhibited a moderate repellent effect (class II) on C. maculatus adults. EONS showed the highest toxicity by inhalation test, with an LD50 of 13.386 and an LD95 of 33.186 μL/cm2, compared to carvacrol (LD50 = 21.509 and LD95 = 38.877 μL/cm2). The EONS by contact test exhibited more toxic effects, with an LD50 of 23.350 µL/100 g and an LD95 of 45.315 µL/100 g, compared to carvacrol (LD50 = 27.853 µL/100 g and LD95 = 45.184 µL/100 g). For the topical contact test results, carvacrol was more toxic, with an LD50 of 3.915 and an LD95 of 7.696 µL/mL, compared to EONS (LD50 = 14.509 and LD95 = 25.516 µL/mL). The high toxicity of EONS can be explained by the presence of 25.8% of o-cymene, 8.53% of cyclofenchene, and 7.71% of beta-pinene, as well as 4.6% of carvacrol, in its chemical composition. Unmitigatedly, these data suggest that the essential oils of N. sativa may present a raw material for the development of new bio-insecticidal products against C. maculatus, one of the main pests of stored foodstuffs.

Abstract The intestinal microbial metabolite trimethylamine oxide (TMAO) affects the formation and development of atherosclerosis (AS). The design and development of an effective targeted drug to reduce serum TMAO levels may provide new avenues for inhibiting AS morbidity. Target genes that may elevate TMAO levels in patients with AS were explored using bioinformatics, virtual screening, and molecular dynamics (MD). We expected these genes to indicate potential TMAO inhibitors. Of these genes, hFMO3 was responsible for increasing TMAO levels. Four small-molecule compounds (SMC-1, SMC-2, SMC-3, and SMC-4) with the lowest binding energy and CGenFF penalty < 10 were connected to the main binding pocket of hFMO3 by hydrogen and/or cation–pi interactions. A 100 ns MD simulation showed that the four systems quickly reached equilibrium. The root mean square deviation of all four small-molecule compounds was less than 0.35 nm, that of the four ligand complexes was less than 0.40 nm, and the average deviations of each amino acid residue from the reference position over time did not differ. Molecular mechanics Poisson–Boltzmann surface area analyses showed that SMC-2, SMC-3, and SMC-4 bound very well to hFMO3, and the energy contribution of the key residues LEU40 and GLU32 was more remarkable in SMC-2, SMC-3, and SMC-4. These four small-molecule compounds may be useful as targeted drugs to reduce serum TMAO levels, inhibiting atherosclerosis formation.

Abstract Type I collagen is a high-value polymer found naturally in animal species and with many applications in the biomedical field. Collagen is frequently obtained from bovine tendons, but this source presents the risk of disease transmission, thus marine collagen is becoming an alternative source of this valuable material. In the present work, we report the successful extraction and characterization of the natural collagen found in the scales of Biajaiba, a highly consumed fish native to the Gulf of Mexico. We obtained acid- and pepsin-soluble type I collagens with high denaturation temperatures, high hydroxyproline contents, and yields in the ranges reported for other fish scales. Our work proposes a useful alternative for transforming the huge quantities of discarded fish scales in our country to extract a high-value product for biomedical applications.

Abstract The presence of abundant surface and underground waters and, consequently, fertile and flat soils favored the birth and expansion of Rome. Before the construction of the first aqueduct, the “springs” were probably the only source of drinking water in Rome. At the same time, today, many of them are only scarce outcrops that, anyway, constitute an important heritage for their hydrogeological, archaeological, and monumental significance. In the present study, a multiparametric analytical approach is reported to highlight possible differences among the still emerging and accessible sources in the area of the Roman Forum and to exclude infiltrations from the water and/or sewage network. Temperature, conductivity, pH, dissolved oxygen, and redox potential were measured in situ, while the salt and bicarbonate content, the fixed residue, some UV-Vis indices, and the volatile organic compounds were determined in the laboratory. The microbiological water quality was evaluated by assaying Escherichia coli, intestinal Enterococci, and Salmonella, with the total bacterial count at 22 and 37°C. As expected, all samples are non-potable. Nevertheless, the comparison of data on standpipes close to the springs allowed us to exclude important infiltrations from the water network and the microbiological analysis of those from the sewer network.

Abstract Aiming at the remediation of Mu Us Sandy Land, which is one of the four major sandy areas in China, the local soft rock was selected as the remediation material for sand improvement, and the soil quality changes after the compounding of soft rock and sand were analyzed. The results show that the clay minerals in the soft rock are closely cemented to each other, forming a rich pore structure with a high hydrophilic, large specific surface and interlayer space. With the treatment of 1:1 and 1:2 soft rock/sand, there are more attachments on the surface of soil particles, and most of the particles are in contact with each other. The content of polysaccharides in the compound soil after the mixture of soft rock and sand is significantly higher than that of total sand treatment. With 1:1 of soft rock/sand, the content of free ferric oxide increased gradually with the depth of the soil layer. The organic carbon content in the 0–10 and 20–30 cm soil layers showed a good change. After the addition of arsenic sandstone, the soil cementation of compound soil and the content of polysaccharides and organic carbon have been significantly changed. Soft rock is a kind of natural material conducive to the improvement of sandy soil.

Abstract A novel Cd(II) compound, namely [Cd6(TCA)4(4-bpmh)(DMA)2(H2O)2] n ·4n(H2O) (denoted as 1, H3TCA = 4,4′,4″-tricarboxytriphenylamine, 4-bpmh = N,N-bis(pyridin-4-ylmethylene)hydrazine, and DMA = N,N′-dimethylacetamine), has been solvothermally prepared via a dual-ligand strategy that employs two organic ligands to fulfill different functions. The solid of compound 1 shows blue luminescence at room temperature.

Abstract This study provides insights into the effects of Bi2O3 on the physical, mechanical, and gamma ray shielding properties of Bi2O3–BaO–B2O3–ZnO–As2O3–MgO–Na2O glasses. The higher Bi2O3 concentrations result in increased density and molecular weight of the glasses. The molar volume also increases with higher Bi2O3 percentages, accompanied by a decrease in the average distance between boron atoms and a reduction in polaron radius and inter-nuclear distance. Electronegativity decreases and electronic polarizability increases with increasing Bi2O3 concentration, indicating higher electron-donating capacity and greater susceptibility to external electric field distortion. The elastic moduli exhibit a downward trend with increasing Bi2O3 concentration, indicating a decreased degree of elastic behaviour. The decrease in cross-linking is further supported by the reduction in Poisson’s ratio. The decrease in values of the hardness also indicates a decline in the stiffness and connectivity of the glass network. The linear attenuation coefficients (LACs) of three different glasses were obtained using Phy-X software in 0.015–15 MeV energy range. Also, the effective atomic numbers are calculated for the selected glasses. The LAC has the highest values for Bi21, indicating that the addition of Bi2O3 causes an improvement in the LAC.

Abstract Curcuma sahuynhensis Škorničk. & N.S. Lý has been discovered recently whose antiviral potential is unknown, thus deserved for discovery-phase screening. A combination of experimental characterization, quantum calculation, molecular docking simulation, physicochemical analysis, and absorption, distribution, metabolism, excretion, and toxicity (ADMET) was designed for the theoretical argument on the potentiality of oil-based components (1−27) against H5 hemagglutinin in influenza A virus (PDB-5E32), wild-variant SARS-CoV-2 main protease (PDB-6LU7), and SARS-CoV-2 Omicron spike protein (PDB-7T9J). Theoretical arguments based on various computational platforms specify the most promising bio-inhibitors, i.e. 23 (bio-compatibility: ground energy −966.73 a.u., dipole moment 3.708 Debye; bio-inhibitability: DS ̅ \bar{{\rm{DS}}} −12.5 kcal mol−1; drug-likeness: mass 304.7 amu, log P 1.31; polar-interactability: polarizability 32.8 Å3) and 26 (bio-compatibility: ground energy −1393.66109 a.u., dipole moment 5.087 Debye; bio-inhibitability: DS ̅ \bar{{\rm{DS}}} −11.9 kcal mol−1; drug-likeness: mass 437.5 amu, log P 4.28; polar-interactability: polarizability 45.7 Å3). The pkCSM-ADMET model confirms their favorable pharmacokinetics and pharmacology. The total essence is unsuitable for use as an antiviral source in its pure form since the most bioactive candidates are accountable for the small content. Particularly, 23 (7β-hydroxydehydroepiandrosterone) and 26 (ethyl cholate) are recommended for further experimental efforts of isolation and bioassaying trials.