The electronic and reactivity properties of carbon doped (C-doped) boron nitride nanoribbons (BNNRs) as a function of the carbon concentration were investigated in the framework of the density functional theory within the generalized gradient approximation. We found that the main routes to stabilize energetically the C-doped BNNRs involve substituting boron atoms near the edges. However, the effect of doping on the electronic properties depends of the sublattice where the C atoms are located; for instance, negative doping (partial occupations of electronic states) is found replacing B atoms, whereas positive doping (partial inoccupation of electronic states) is found when replacing N atoms with respect to the pristine BNNRs. Independently of the even or odd number of dopants of the C-doped BNNRs studied in this work, the solutions of the Kohn Sham equations suggest that the most stable solution is the magnetic one. The reactivity of the C-doped BNNRs is inferred from results of the dual descriptor, and it turns out that the main electrophilic sites are located near the dopants along the C-doped BNNRs. The reactivity of these nanostructures is tested by calculating the interaction energy between undesirable organosulfur compounds present in oil fuels on the C-doped BNNRs, finding that organosulfur compounds prefer to interact over nanosurfaces with dopants substituted on the B sublattice of the C-doped BNNRs. Most importantly, the selective C doping on the BNNRs offers the opportunity to tune the properties of the BNNRs to fit novel technological applications.

The modifications of the electronic properties on carbon-doped boron nitride nanoribbons (BNNRs) as a response to the adsorption of different nitro species were investigated in the framework of the density functional theory within the generalized gradient approximation. Calculations were performed using the SIESTA code. We found that the main response involved tuning the original magnetic behavior to a non-magnetic system when the molecule was chemisorbed on the carbon-doped BNNR. It was also revealed that some species could be dissociated through the adsorption process. Furthermore, the nitro species preferred to interact over nanosurfaces where dopants substituted the B sublattice of the carbon-doped BNNRs. Most importantly, the switch on the magnetic behavior offers the opportunity to apply these systems to fit novel technological applications.

Diabetes and its complications represent a major global health burden, contributing to rising mortality rates, escalating healthcare costs, and an increasing prevalence worldwide. This has driven renewed interest in traditional medicine as a complementary approach to disease management. Cochlospermum vitifolium (Wild) Sprengel, a medicinal plant traditionally used to treat kidney pain, liver disorders (including hepatitis C and jaundice), and metabolic syndrome, has demonstrated promising antidiabetic potential. Previous studies report hypoglycemic effects in both in vitro and short-term in vivo models. In this study, we evaluated the hypoglycemic activity of tetrahydrofuran (THF) extracts from C. vitifolium heartwood and bark in mice over a six-week period (500 mg/kg dose). The heartwood extract exhibited notable antioxidant activity, scavenging over 50 % of DPPH radicals at 3.2 mg/mL, while the bark extract showed higher potency at 1.5 mg/mL. Both extracts demonstrated genoprotective effects at doses of 250 and 500 mg/kg, mitigating damage from mutagenic agents. Notably, the heartwood extracts significantly reduced blood glucose levels from > 300 mg/dL to < 100 mg/dL, whereas the bark extract had no significant hypoglycemic effect. These findings suggest that C. vitifolium extracts, particularly from the heartwood, may modulate oxidative stress-related pathways implicated in chronic degenerative diseases such as diabetes. Further research is warranted to elucidate the underlying mechanisms and long-term safety profile of these extracts.

Cordia elaeagnoides A. DC. is an endemic species of Mexico valued for its timber. Renowned for its durability, resistance, and versatile applications in medicine, this tree holds significant commercial importance. Tetrahydrofuran (THF) extract from the heartwood of C. elaeagnoides was studied. Through chromatographic column purification, the compound 8-(2,5-Dihydroxyphenyl)-2,6-dimethylocta-2,6-dienal, also known as alliodorin, was successfully isolated. Identification of alliodorin was confirmed through comprehensive analysis utilizing NMR, IR, and mass spectrometry techniques. Inhibition tests were conducted using both the THF extract and alliodorin against the rotting fungus Trametes versicolor (L.) Lloyd, employing the agar well diffusion assay. Remarkably, alliodorin exhibited 100% inhibition with a median lethal concentration of 0.079 mg/mL and a total lethal concentration of 0.127 mg/mL, in comparison to the commercial fungicide benomyl, which requires a concentration of 1 mg/mL. In silico analysis through molecular docking on the laccase enzyme was proposed in order to explain the inhibitory activity against the fungus T. versicolor, as this enzyme is one of the main sources of nutrients and development for the fungus. Based on these findings, we deduced that alliodorin holds promise as a potent antifungal agent, potentially applicable in a wide array of technological and environmentally friendly initiatives.

We propose a nano-structured suction system based on graphene sheets for water desalination processes. The desalination system modeled in this work is an alternative process to the commonly employed but energy intensive reverse osmosis process. The nano-structured system generates drag forces, which pull water molecules from the saline solution into a chamber. Our molecular simulations consist of two rigid walls of graphene: one wall with 5 Å pores permeable to water molecules forms the membrane, while the other wall acts as a plunger to induce and control the transfer of desalinated water molecules, which accumulate in a chamber between the two walls. Prior to the desalination process, the chamber is saturated with one monolayer of water molecules. The desalination occurs when the plunger moves to create unsaturated space inside the chamber. At plunger speeds up to 10 cm s⁻¹, the system desalinates saltwater films in the open part of the membrane. At higher plunger speeds, the desalination chamber expands faster than molecules can fill the chamber, resulting in cavitation and poor desalination. At plunger speeds of 0.5 cm s⁻¹, the desalination occurs via a quasi-equilibrium process, which minimizes the energy necessary to drive desalination. Our findings suggest that the desalination process requires less energy than reverse osmosis methods at plunger speeds up to 0.15 cm s⁻¹ (for the chosen pore density). The filling profile of desalinated water molecules inside the chamber occurs via three distinct regimes: the first two regimes correspond to the formation of one and then two monolayers adsorbed to the chamber's walls. The third regime corresponds to the filling of molecules between the adsorbed layers, which approaches a density close to the density of bulk liquid water. Including flexibility in the graphene sheets does not affect the energy consumption for desalination processes occurring after the formation of the second monolayer, but flexible membranes require a slightly larger pore diameter (7 Å) than rigid membranes.

Purpose: To analyze, at a laboratory level, the biodiesel production yield by transesterification of the vegetable oil extracted from weed species growing in local crop areas in Aguascalientes, México. Methodological Design: The study evaluated the biodiesel production yield by transesterification of the vegetable oil from the weed species Bidens ferulifolia (Jacq.) DC., Tithonia tubaeformis (Jacq.) Cass., and Bidens sambucifolia (Cav.). Their vegetable oil is extracted through an L9(34) design using alcohols and alkanes as solvents. Transesterification is conducted under an L4(23) design, employing NAOH and methanol as a catalyst and excess alcohol, respectively. Raman Spectroscopy and Fourier Transform Infrared Spectroscopy (FTIR) were used to characterize the biodiesel samples obtained. Results: In the FTIR and Raman spectra of the obtained biodiesel, peaks were observed at wavenumbers 1740 cm-1 and 1450 cm-1, respectively, corresponding to the C=O group of the conventional ester present in the fatty acid methyl esters of the biodiesel. This confirms that biodiesel was successfully produced from the studied weed species with production yields ranging between 10.3 and 15.3%. Research limitations: This is one of the first studies to provide information on the biodiesel production capacity of the selected weed species. Findings: Biodiesel was successfully produced through transesterifying vegetable oil extracted from the selected weed species. Further research is warranted to enhance biodiesel yields.