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BACKGROUND: Mycotoxin contamination of food has been gaining increasing attention. Hidden mycotoxins that interact with biological macromolecules in food could make the detection of mycotoxins less accurate, potentially leading to the underestimation of the total exposure risk. Interactions of the mycotoxins alternariol (AOH) and alternariol monomethyl ether (AME) with high‐molecular glutenin were explored in this study. RESULTS: The recovery rates of AOH and AME (1, 2, and 10 μg kg−1) in three types of grains (rice, corn, and wheat) were relatively low. Molecular dynamics (MD) simulations indicated that AOH and AME bound to glutenin spontaneously. Hydrogen bonds and π‐π stacking were the primary interaction forces at the binding sites. Alternariol with one additional hydroxyl group exhibited stronger binding affinity to glutenin than AME when analyzing average local ionization energy. The average interaction energy between AOH and glutenin was −80.68 KJ mol−1, whereas that of AME was −67.11 KJ mol−1. CONCLUSION: This study revealed the mechanisms of the interactions between AOH (or AME) and high‐molecular glutenin using MD and molecular docking. This could be useful in the development of effective methods to detect pollution levels. These results could also play an important role in the evaluation of the toxicological properties of bound altertoxins. © 2024 Society of Chemical Industry. [ABSTRACT FROM AUTHOR]

Nicotine dependence is an important cause of excessive exposure to tobacco combustion compounds in most smokers. Nicotine replacement therapy is the main method to treat nicotine dependence, but it still has its shortcomings, such as the inability to mitigate withdrawal effects and limited applicability. It has been hypothesized that a combination of low-dose nicotine and caffeine could achieve the same psychological stimulation effect as a high dose of nicotine without causing nicotine withdrawal effects. To establish a model of nicotine dependence, male C57BL/6J mice were subcutaneously injected four times a day with nicotine (2 mg/kg) for 15 days and fed with water containing nicotine at the same time. They were randomly divided into four groups. After 24 h of withdrawal, different groups were injected with saline, nicotine (0.25 mg/kg or 0.1 mg/kg), or nicotine (0.1 mg/kg) and caffeine (20 mg/kg). Behavioral and physiological changes were evaluated by an assessment of physical signs, open field tests, elevated plus maze experiments, forced swimming tests, hot plate tests, and new-object-recognition tests. The changes in dopamine release in the prefrontal cortex (PFC) and ventral tegmental area (VTA) in the midbrain were analyzed using ELISA. The results showed that a combination of caffeine and nicotine could effectively relieve nicotine withdrawal syndrome, increase movement ability and pain thresholds, reduce anxiety and depression, enhance memory and cognitive ability, and increase the level of dopamine release in the PFC and VTA. Thus, caffeine combined with nicotine has potential as a stable and effective treatment option to help humans with smoking cessation. [ABSTRACT FROM AUTHOR]

Context: Ab initio calculations were employed in this investigation to scrutinize the adsorption characteristics of a linear chain (HF)n on a BN nanocage (B24N24), wherein the chain lengths varied (n = 1, 2, 3, and 4). The overarching aim was to assess the efficiency of this setup in detecting and adhering to (HF)n under both liquid and gaseous scenarios. This study encompassed an array of aspects, encompassing adsorption energy, optimal configuration determination, work function analysis, and charge exchange assessment. Furthermore, an exploration was conducted into the impact of HF linear chain dimensions on electrical attributes and adsorption energy. According to the values of adsorption energy, the dimer form of HF adsorbed onto BN nanocages displayed the highest stability. Methods: This scrutiny was undertaken utilizing density functional theory (DFT), employing the B3LYP functional and the 6–31 + + G(d,p) basis set. Notably, the choice of the 6–31 + + G(d,p) basis set is particularly apt for delving into nanostructure analyses. The HOMO–LUMO energy gap was significantly reduced by (HF)n upon adsorption onto the nanocage, falling from 6.48 to 5.43 eV and enhancing electrical conductivity as a result. Additionally, BN nanocages may be used as sensors to find (HF)n among other environmental pollutants. [ABSTRACT FROM AUTHOR]

Microplastics (MPs) are now not only emerging as pollutants in the environment, but their current state of contamination in food is also a cause for concern. It is necessary to focus how to control, reduce, and even remove MPs. In this study, a magnetic metal-organic framework (MOF) material, Fe3O4@SiO2@MIL-53(Al), was synthesized and applied to simulate the magnetization and removal of four types of MPs. Fe3O4@SiO2@MIL-53(Al) was characterized by various means to demonstrate its successful synthesis as a core-shell nanomaterial. The conditions of the method were optimized by examining the effect of time, the mass ratio of material to MPs, temperature, and pH on the removal effect. The removal rates of four MPs were 54.10–94.17%, and the maximum adsorption capacities of Fe3O4@SiO2@MIL-53(Al) that can be adsorbed were 10511.45–44390.24 mg g−1. Notably, the material can effectively magnetize and remove MPs from liquid food containing alcohol with highest efficiency of 97.10 ± 1.21%. Potential adsorption mechanisms were analyzed using kinetic, isothermal, and thermodynamic models, and electrostatic attraction and hydrogen bonding were found to play a dominant role in the adsorption process. In addition, not only can Fe3O4@SiO2@MIL-53(Al) be reused up to five times to maintain high removal rates, but it can also be used in food systems. Therefore, Fe3O4@SiO2@MIL-53(Al) not only has the advantages of ease of use and stability, but also can efficiently and quickly magnetize and remove many common MPs in more complex matrices such as food. [ABSTRACT FROM AUTHOR]

Bacteriostasis is of great concern in the fields of medical health and food safety. Nanostructured surfaces have received special attention due to their biocompatibility and nontoxicity and have the potential in the fields of medical devices, implantable materials, food packaging, production pipelines, and so on. However, the exact mechanism is still being debated, and the presence of a microenvironment around bacteria is often overlooked, which could be better utilized. Here, we would like to introduce a simple green sterilization method assisted by TiO2 nanorods in the process of room temperature drying. Surface tension is created by the simple way of natural evaporation of liquids, helping the nanorods to better kill bacteria. By using this system, the bacterial mortality of Escherichia coli O157:H7 reached 91.92 ± 6.08%. This system was also effective against Staphylococcus aureus belonging to Gram-positive bacteria. The concepts and antimicrobial systems described in this study proposed a feasible and effective strategy for constructing efficient and safe physical sterilization surfaces. At the same time, the sterilization mechanism of the nanorod surface was explored. In most cases, the system was realized spontaneously without involving antimicrobials or some additional conditions; therefore, it could be conveniently applied in more antimicrobial application scenarios. The study further highlighted that the presence of aquatic environments for bacteria should be given more attention, rather than being ignored. [ABSTRACT FROM AUTHOR]

Through utilizing density functional theory (DFT), the current work investigates the potential uses of Al24P24 fullerene for detecting CS2, H2S, SO2, and COS. The interaction order for the stability of these gases was SO2 > H2S > COS > CS2. The moment of electric dipole and molecules' adsorption energy seems correlated. Al24P24 fullerene is regarded as an electronic sensor of the Ф-type for detecting SO2 and CS2. According to the findings, CS2 and SO2 might act as Al24P24 fullerenes when H2S is present. Nevertheless, we cannot presume it to be a COS and H2S sensor of Ф-type. At room temperature, the fullerene of Al24P24 has a quick recovery time of 0.50 μs and 0.17 s in CS2 and SO2 desorption from the surface. It can thus be inferred that it has the ability to function in moist media. [ABSTRACT FROM AUTHOR]

Titanium dioxide (TiO2), as a representative of metallic oxides, is widely used as food additive to serve as coloring or antibacterial packaging fortifier. However, in recent years, the potential hazards of nano-sized TiO2 food additives to human beings is still in doubt. In this work, we systematically studied the interactions between three sizes of TiO2 particles and the cell membrane systems with confocal laser scanning microscopy. We used both giant unilamellar vesicles and human colon cancer cells to mimic actual cell membrane systems. The results demonstrate the strong effect of particle size on membrane disruption and leakage behaviors. Among the three sizes of TiO2 nanoparticles (NPs) used in this work, the TiO2 NPs with the size of 110-300 nm are safe. In contrast, NPs with the size of 10-30 nm and 50-100 nm will cause the rupture and leakage of cell membranes. These indicates that the cytotoxicity of nano-sized TiO2 particles increases with the decrease of particle sizes. In addition, it is found that the size effect of TiO2 particles further depends on the membrane charge state. Simulations were also introduced to understand the results. This study would provide a theoretical basis for the production designing and safety standard of metallic oxide food additives. [ABSTRACT FROM AUTHOR]