Autonomous University of Coahuila

In this work, cisplatin was encapsulated within both pristine and doped zigzag (14,0) SWBPNTs. Adsorption energy calculations were performed to determine the most stable system. Doping takes place when one carbon or titanium atom replaces one boron or phosphorus atom. The structural and electronic properties were investigated using periodic density functional theory (DFT) according to the PWscf code of the Quantum ESPRESSO package. The electron–ion interactions were treated with PAW pseudopotentials, while long-range van der Waals (vdW) interactions were incorporated through the Grimme DFT-D3 dispersion correction. The systems were separated by a vacuum space of 15 Å along the direction perpendicular to z to avoid spurious interactions between adjacent nanotubes. The adsorption energies are: Pristine SWBPNT (-0.92 eV), Carbon-doped SWBPNT (B position) (-0.66 eV), Carbon-doped SWBPNT (P position) (-0.35 eV), Titanium-doped SWBPNT (B position) (-3.14 eV), and Titanium-doped SWBPNT (P position) (-3.86 eV). The pristine and carbon-doped nanotubes are considered more favorable, provided that their adsorption energies are sufficient to ensure interaction without being so strong as to hinder desorption.

American trypanosomiasis is an important public health problem in Latin America. To date, the chemotherapeutic agents used to treat this disease have been unsatisfactory, underscoring the need to develop new, more effective pharmaceuticals. The nanoparticles have demonstrated an excellent drug delivery system that helps protect unstable metabolites such as allicin. As a first step, in this study was carried out the in vitro trypanocidal activity of Allium sativum L., Amaryllidaceae, allicin, and A. sativum and allicin encapsulated in TiO2 and ZrO2 nanoparticles against Trypanosoma cruzi epimastigote forms, as well as the in vivo trypanocidal activity in BALB/c mice in the acute phase of infection with T. cruzi. This is the first report of allicin and ZrO₂-allicin activity against T. cruzi, revealing the potential employment of the ZrO2 nanoparticles to give advantages to metabolites as allicin.

This study applies Elephant Herding Optimization (EHO) to the Multiple Sequence Alignment (MSA) problem and evaluates its performance against a Genetic Algorithm (GA) under a common objective and budget. EHO operationalizes two herd behaviors: clan-based updating around a matriarch (exploitation) and the separation of adult males (exploration), through the Clan Updating Operator (CUO) and the Separating Operator (SO). This design yields a principled exploration–exploitation balance without disruptive recombination, reducing premature convergence while preserving high-quality partial alignments. Across Alzheimer-related homologous protein targets with 30 runs, EHO consistently attains higher average alignment scores and lower variance than GA, indicating stronger solution quality and more stable convergence. EHO also requires fewer hyperparameters and less operator tuning than GA, simplifying implementation and improving reproducibility. Sensitivity analysis shows that clan size and separation rate effectively modulate intensification and diversification, enabling robust performance on multimodal landscapes where GA is prone to stagnation. Although EHO can incur higher computational costs in naive implementations, its structure is amenable to parallelization and early stopping, mitigating runtime overhead in practice. Overall, EHO provides a robust, parameter-light alternative to GA for MSA, delivering superior alignment quality and stability through biologically grounded population dynamics that maintain diversity without sacrificing intensification. We provide the Python implementation through a web link https://github.com/riosew/Elephant-Herding-Algorithm-for-the-Multiple-Sequence-Alignment-Problem.git .

This study evaluates the structural reliability and seismic performance of reinforced concrete buildings with two different lateral load-resisting systems: (1) conventional moment-resisting frames (MRF) and (2) dual systems combining MRF with buckling-restrained braces (BRB). Both structures are assumed to be located on soft soil deposits within the lake-bed zone of Mexico City. Nonlinear dynamic analyses were performed using a suite of ground motion records representative of the local seismic hazard. The reliability assessment included the development of fragility curves and the estimation of the mean annual frequency of exceedance for key engineering demand parameters. Furthermore, the seismic performance of the building models was quantified in terms of expected economic losses using the methodology included in FEMA P-58. Results demonstrate that the incorporation of BRB significantly enhances structural reliability and reduces expected annual losses compared to the conventional MRF system. Specifically, the dual MRF–BRB building exhibited an Expected Annual Loss (EAL) of 0.43

This work presents a theoretical and experimental study for the development of dual phase steels from modification of chemical composition of a commercial AISI-1010 low carbon steel. A computational study of the effects of chemical composition on the behavior of continuous cooling transformation diagrams was conducted to propose an appropriate chemical composition for experimental steel. To validate the results obtained, a steel was fabricated at laboratory scale and processed by hot rolling to obtain thin steel strips, to further investigate the effects of steel thickness (2.0 and 1.5 mm), annealing conditions (1 to 10 min, 790 and 815 °C) and cooling media (water and brine) on the microstructure and hardness. Results show that the proposed methodology allows obtaining microstructures consisting mainly of ferrite and martensite. The amount of martensite varies from less than 50