The increasing threat from antibiotic-resistant bacteria has necessitated the development of novel methods to counter bacterial infections. In this context, the application of metallic nanoparticles (NPs), especially gold (Au) and silver (Ag), has emerged as a promising strategy due to their remarkable antibacterial properties. This review examines research published between 2006 and 2023, focusing on leading journals in nanotechnology, materials science, and biomedical research. The primary applications explored are the efficacy of Ag and Au NPs as antibacterial agents, their synthesis methods, morphological properties, and mechanisms of action. An extensive review of the literature on NPs synthesis, morphology, minimum inhibitory concentration (MIC), minimum bactericidal concentration (MBC), and effectiveness against various Gram(+/−) bacteria confirms the antibacterial efficacy of Au and Ag NPs. The synthesis methods and characteristics of NPs, such as size, shape, and surface charge, are crucial in determining their antibacterial activity, as these factors influence their interactions with bacterial cells. Furthermore, this review underscores the urgent necessity of standardizing synthesis techniques, MICs, and reporting protocols to enhance the comparability and reproducibility of future studies. Standardization is essential for ensuring the reliability of research findings and accelerating the clinical application of NP-based antimicrobial approaches. This review aims to propel NP-based antimicrobial strategies by elucidating the properties that enhance the antibacterial activity of Ag and Au NPs. By highlighting their inhibitory effects against various bacterial strains and relatively low cytotoxicity, this work positions Ag and Au NPs as promising materials for developing antibacterial agents, making a significant contribution to global efforts to combat antibiotic-resistant pathogens.

Acetylcholinesterase (AChE) is a critical enzyme involved in neurotransmission by hydrolyzing acetylcholine at the synaptic cleft, making it a key target for drug discovery, particularly in the treatment of neurodegenerative disorders such as Alzheimer’s disease. Computational approaches, particularly molecular docking and molecular dynamics (MD) simulations, have become indispensable tools for identifying and optimizing AChE inhibitors by predicting ligand-binding affinities, interaction mechanisms, and conformational dynamics. This review serves as a comprehensive guide for future research on AChE using molecular docking and MD simulations. It compiles and analyzes studies conducted over the past five years, providing a critical evaluation of the most widely used computational tools, including AutoDock, AutoDock Vina, and GROMACS, which have significantly contributed to the advancement of AChE inhibitor screening. Furthermore, we identify PDB ID: 4EY7, the most frequently used AChE crystal structure in docking studies, and highlight Donepezil, a well-established reference molecule widely employed as a control in computational screening for novel inhibitors. By examining these key aspects, this review aims to enhance the accuracy and reliability of virtual screening approaches and guide researchers in selecting the most appropriate computational methodologies. The integration of docking and MD simulations not only improves hit identification and lead optimization but also provides deeper mechanistic insights into AChE–ligand interactions, contributing to the rational design of more effective AChE inhibitors.

In this study, tomato plants were grown in vitro with and without incorporation of TiO₂ nanoparticles in Murashige and Skoog (MS) growth medium. The aim of this study was to describe the morphological (area and roundness cell) and mechanical (Young’s Modulus) change in the different tissue of tomato root, epidermis (Ep), parenchyma (Pa), and vascular bundles (Vb), when the whole plant was exposed to TiO₂ nanoparticles (TiO₂ NPs). light microscopy (LM), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and atomic force microscopy (AFM), wavelength dispersive X-ray fluorescence (WDXRF) techniques were used to identify changes into the root cells when TiO₂ NPs were incorporated. TiO₂ NPs incorporation produces changes in the area, roundness, and Young’s Modulus of the tomato root. When tomato root is exposed to TiO₂ NPs, the Ep and Vb area size decreases from 260.92 µm² to 160.71 µm² and, 103.08 µm² to 52.13 µm², respectively, compared with the control area, while in Pa tissue the area size was increased considerably from 337.72 mm² to 892.96 mm². Cellular roundness was evident in tomato root that was exposed to TiO₂ NPs in the Ep (0.49 to 0.67), Pa (0.63 to 0.79), and Vb (0.76 to 0.71) area zones. Young’s Modulus in Pa zone showed a rigid mechanical behavior when tomato root is exposed to TiO₂ NPs (0.48 to 4.98 MPa control and TiO₂ NPs, respectively). Meanwhile, Ep and Vb were softer than the control sample (13.9 to 1.06 MPa and 6.37 to 4.41 MPa respectively). This means that the Pa zone was stiffer than Ep and Vb when the root is exposed to TiO₂ NPs. Furthermore, TiO₂ NPs were internalized in the root tissue of tomato, accumulating mainly in the cell wall and intercellular spaces, with a wide distribution throughout the tissue, as seen in TEM.

This study utilized eggshell biomass as a calcium precursor for synthesizing hydroxyapatite (Hap) through a co-precipitation method assisted by a combined microwave-ultrasound (Mu/Us) crystallization process. Different milling techniques (mortar, high-energy mill, and sieving) were employed to prepare the eggshell biomass and identify the most effective calcium precursor. The precursor derived from high-energy milling, followed by sieving and thermal treatment at 750 °C (designated as Sample Hap-H3 750), was selected due to its higher porosity, enhanced crystallinity, and smaller particle size than other synthesized materials. This sample was subsequently used as a carrier for the plant hormone forchlorfenuron (FCF), forming the composite Hap-FCF. Comprehensive characterization was conducted using X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), specific surface area analysis (BET method), zeta potential (ZP), scanning electron microscopy (SEM), and bright-field transmission electron microscopy (BFTEM), ensuring reliable and robust data. The in silico evaluation of the phytohormone FCF with two receptors, gibberellin (GA3Ox2) and auxin (IAA7), produced notable results. Docking and molecular dynamics (MD) simulations demonstrated that the gibberellin receptor was preferentially stimulated, as shown by the higher binding affinity and the receptor’s sustained stability during the MD simulations. These findings underscore the potential applications of this research, emphasizing its significance in materials science and biochemistry. Moreover, the in vitro assessment of Hap-H3 750, Hap-FCF, FCF, and the control (distilled water) on the germination and growth of butterhead lettuce seeds (Lactuca sativa) over 30 days revealed that Hap-H3 750 and Hap-FCF promoted plant growth by 275–330% relative to the control. This effect was attributed to the preferential stimulation of the gibberellin receptors responsible for stem and root elongation. These results suggest that HAP nanoparticles could facilitate the controlled delivery of FCF in the agricultural sector, promising to be an effective nanofertilizer.

Here, different tissue surfaces of tomato root were characterized employing atomic force microscopy on day 7 and day 21 of growth through Young's modulus and plasticity index. These parameters provide quantitative information regarding the mechanical behavior of the tomato root under fresh conditions in different locations of the cross-section of root [cell surface of the epidermis, parenchyma (Pa), and vascular bundles (Vb)]. The results show that the mechanical parameters depend on the indented region, tissue type, and growth time. Thereby, the stiffness increases in the cell surface of epidermal tissue with increasing growth time (from 9.19 ± 0.68 to 13.90 ± 1.68 MPa) and the cell surface of Pa tissue displays the opposite behavior (from 1.74 ± 0.49 to 0.48 ± 0.55); the stiffness of cell surfaces of Vb tissue changes from 10.60 ± 0.58 to 6.37 ± 0.53 MPa, all cases showed a statistical difference (p < 0.05). Viscoelastic behavior dominates the mechanical forces in the tomato root. The current study is a contribution to a better understanding of the cell mechanics behavior of different tomato root tissues during growth.

Microplastics (MPs) are pervasive in marine ecosystems, yet the molecular mechanisms underlying their sublethal effects on zooplankton remain poorly understood. Here, we integrated transcriptomic screening with sequence homology analysis, structural modeling, and molecular dynamics (MD) simulations to examine protein–polymer interaction behavior in the tropical euphausiid Euphausia distinguenda. Transcriptomic analysis identified three MP-responsive proteins; two isoforms (P1, P2) were consistently downregulated following exposure to polyethylene microspheres, while a third candidate (P3) was upregulated but excluded from modeling due to insufficient homology. Structural models of P1 and P2 were generated using AlphaFold2 (ColabFold implementation) and evaluated through comparative structural analyses. MD simulations (100 ns) were conducted using representative polymer oligomers LDPE used as a polyethylene analog and PET and PC included as contrast polymers, which revealed pronounced protein-specific differences and polymer-dependent modulation of interaction stability. Nonbonded Lennard–Jones and Coulomb interaction energies indicated substantially greater intermolecular contact stabilization for P2 than for P1 across all polymers, with LDPE yielding the lowest mean polymer RMSD for P2, and PET for P1. Together, these results indicate that MP–protein interactions in E. distinguenda are consistent with a dominant role of protein structural coherence and dynamic surface compatibility rather than by static structural complementarity or specific binding affinity and provide a reproducible basis for exploring molecular-scale responses to MP exposure in ecologically relevant zooplankton.